Science.gov

Sample records for enhanced afci sampling

  1. Enhanced AFCI Sampling, Analysis, and Safeguards Technology Review

    SciTech Connect

    John Svoboda

    2009-09-01

    The focus of this study includes the investigation of sampling technologies used in industry and their potential application to nuclear fuel processing. The goal is to identify innovative sampling methods using state of the art techniques that could evolve into the next generation sampling and analysis system for metallic elements. Sampling and analysis of nuclear fuel recycling plant processes is required both to monitor the operations and ensure Safeguards and Security goals are met. In addition, environmental regulations lead to additional samples and analysis to meet licensing requirements. The volume of samples taken by conventional means, can restrain productivity while results samples are analyzed, require process holding tanks that are sized to meet analytical issues rather than process issues (and that create a larger facility footprint), or, in some cases, simply overwhelm analytical laboratory capabilities. These issues only grow when process flowsheets propose new separations systems and new byproduct material for transmutation purposes. Novel means of streamlining both sampling and analysis are being evaluated to increase the efficiency while meeting all requirements for information. This report addresses just a part of the effort to develop and study novel methods by focusing on the sampling and analysis of aqueous samples for metallic elements. It presents an overview of the sampling requirements, including frequency, sensitivity, accuracy, and programmatic drivers, to demonstrate the magnitude of the task. The sampling and analysis system needed for metallic element measurements is then discussed, and novel options being applied to other industrial analytical needs are presented. Inductively coupled mass spectrometry instruments are the most versatile for metallic element analyses and are thus chosen as the focus for the study. Candidate novel means of process sampling, as well as modifications that are necessary to couple such instruments to

  2. AFCI Safeguards Enhancement Study: Technology Development Roadmap

    SciTech Connect

    Smith, Leon E.; Dougan, A.; Tobin, Stephen; Cipiti, B.; Ehinger, Michael H.; Bakel, A. J.; Bean, Robert; Grate, Jay W.; Santi, P.; Bryan, Steven; Kinlaw, M. T.; Schwantes, Jon M.; Burr, Tom; Lehn, Scott A.; Tolk, K.; Chichester, David; Menlove, H.; Vo, D.; Duckworth, Douglas C.; Merkle, P.; Wang, T. F.; Duran, F.; Nakae, L.; Warren, Glen A.; Friedrich, S.; Rabin, M.

    2008-12-31

    The Advanced Fuel Cycle Initiative (AFCI) Safeguards Campaign aims to develop safeguards technologies and processes that will significantly reduce the risk of proliferation in the U.S. nuclear fuel cycle of tomorrow. The Safeguards Enhancement Study was chartered with identifying promising research and development (R&D) directions over timescales both near-term and long-term, and under safeguards oversight both domestic and international. This technology development roadmap documents recognized gaps and needs in the safeguarding of nuclear fuel cycles, and outlines corresponding performance targets for each of those needs. Drawing on the collective expertise of technologists and user-representatives, a list of over 30 technologies that have the potential to meet those needs was developed, along with brief summaries of each candidate technology. Each summary describes the potential impact of that technology, key research questions to be addressed, and prospective development milestones that could lead to a definitive viability or performance assessment. Important programmatic linkages between U.S. agencies and offices are also described, reflecting the emergence of several safeguards R&D programs in the U.S. and the reinvigoration of nuclear fuel cycles across the globe.

  3. 2014 AFCI Glovebox Event Executive Summary

    SciTech Connect

    Campbell, Joseph Lenard

    2016-01-01

    One of the primary INL missions is to support development of advanced fuels with the goal of creating reactor fuels that produce less waste and are easier to store. The Advanced Fuel Cycle Initiative (AFCI) Glovebox in the Fuel Manufacturing Facility (FMF) is used for several fuel fabrication steps that involve transuranic elements, including americium. The AFCI glove box contains equipment used for fuel fabrication, including an arc melter – a small, laboratory-scale version of an electric arc furnace used to make new metal alloys for research – and an americium distillation apparatus. This overview summarizes key findings related to the investigation into the releases of airborne radioactivity that occurred in the AFCI glovebox room in late August and early September 2014. The full report (AFCI Glovebox Radiological Release – Evaluation, Corrective Actions and Testing, INL/INL-15-36996) provides details of the identified issues, corrective actions taken as well as lessons learned

  4. Superposition Enhanced Nested Sampling

    NASA Astrophysics Data System (ADS)

    Martiniani, Stefano; Stevenson, Jacob D.; Wales, David J.; Frenkel, Daan

    2014-07-01

    The theoretical analysis of many problems in physics, astronomy, and applied mathematics requires an efficient numerical exploration of multimodal parameter spaces that exhibit broken ergodicity. Monte Carlo methods are widely used to deal with these classes of problems, but such simulations suffer from a ubiquitous sampling problem: The probability of sampling a particular state is proportional to its entropic weight. Devising an algorithm capable of sampling efficiently the full phase space is a long-standing problem. Here, we report a new hybrid method for the exploration of multimodal parameter spaces exhibiting broken ergodicity. Superposition enhanced nested sampling combines the strengths of global optimization with the unbiased or athermal sampling of nested sampling, greatly enhancing its efficiency with no additional parameters. We report extensive tests of this new approach for atomic clusters that are known to have energy landscapes for which conventional sampling schemes suffer from broken ergodicity. We also introduce a novel parallelization algorithm for nested sampling.

  5. MDD Status Letter Report (AFCI CETE Milestone)

    SciTech Connect

    Vedder, Raymond James; Jubin, Robert Thomas

    2009-09-01

    understanding of the chemistry of the uranium-ammonium double nitrate salt was developed. Later pilot-scale studies produced kilogram quantities of UO{sub 3} using engineering-scale (1 kg/hour), continuously-operated equipment, while establishing the reliability of the process and equipment. The current work was performed in support of the Advanced Fuel Cycle Initiative (AFCI), utilizing glove-box-contained equipment (100 g/hour) to produce UO{sub 3}, PuO{sub 2}, and mixed oxides of uranium, plutonium, neptunium, and americium from a nitrate solution of those actinides. Then the MDD glove-box system was utilized in the Coupled-End-To-End (CETE) project to convert the U-Pu-Np and uranium product solutions into oxide powders. As part of the CETE project, a powder characterization laboratory was established in gloveboxes with instruments required for the determination of: (1) surface area by the BET methodology; (2) tap density by using a Quantachrome AutoTap; (3) flow properties by using a Freeman technology powder rheometer; (4) material composition and crystalline structure by using a powder X-ray diffractometer; (5) particle size distribution by using a laser light-scattering analyzer; and (6) imaging of the powders with a stereomicroscope. These instruments can be used to characterize the products and to determine the effects of MDD operating parameters on product powder morphology. Ultimately, the powder characteristics necessary to produce high-density, sintered MOX pellets can be determined.

  6. Code qualification of structural materials for AFCI advanced recycling reactors.

    SciTech Connect

    Natesan, K.; Li, M.; Majumdar, S.; Nanstad, R.K.; Sham, T.-L.

    2012-05-31

    This report summarizes the further findings from the assessments of current status and future needs in code qualification and licensing of reference structural materials and new advanced alloys for advanced recycling reactors (ARRs) in support of Advanced Fuel Cycle Initiative (AFCI). The work is a combined effort between Argonne National Laboratory (ANL) and Oak Ridge National Laboratory (ORNL) with ANL as the technical lead, as part of Advanced Structural Materials Program for AFCI Reactor Campaign. The report is the second deliverable in FY08 (M505011401) under the work package 'Advanced Materials Code Qualification'. The overall objective of the Advanced Materials Code Qualification project is to evaluate key requirements for the ASME Code qualification and the Nuclear Regulatory Commission (NRC) approval of structural materials in support of the design and licensing of the ARR. Advanced materials are a critical element in the development of sodium reactor technologies. Enhanced materials performance not only improves safety margins and provides design flexibility, but also is essential for the economics of future advanced sodium reactors. Code qualification and licensing of advanced materials are prominent needs for developing and implementing advanced sodium reactor technologies. Nuclear structural component design in the U.S. must comply with the ASME Boiler and Pressure Vessel Code Section III (Rules for Construction of Nuclear Facility Components) and the NRC grants the operational license. As the ARR will operate at higher temperatures than the current light water reactors (LWRs), the design of elevated-temperature components must comply with ASME Subsection NH (Class 1 Components in Elevated Temperature Service). However, the NRC has not approved the use of Subsection NH for reactor components, and this puts additional burdens on materials qualification of the ARR. In the past licensing review for the Clinch River Breeder Reactor Project (CRBRP) and the

  7. Detectivity enhancement in THz electrooptical sampling

    SciTech Connect

    Ahmed, Saima; Savolainen, Janne; Hamm, Peter

    2014-01-15

    We demonstrate and discuss a simple scheme that significantly enhances the detectivity of THz electro-optical sampling by introducing a sequence of Brewster windows that increases the ellipticity of the probe beam. By varying the window material or the number of Brewster windows, the enhancement factor can be adjusted; we demonstrate an enhancement factor of ≈20 with four ZnSe Brewster windows. The scheme is particularly useful when very small THz fields are to be measured in connection with low-repetition rate amplified Ti:S laser systems.

  8. Enhanced sampling techniques in biomolecular simulations.

    PubMed

    Spiwok, Vojtech; Sucur, Zoran; Hosek, Petr

    2015-11-01

    Biomolecular simulations are routinely used in biochemistry and molecular biology research; however, they often fail to match expectations of their impact on pharmaceutical and biotech industry. This is caused by the fact that a vast amount of computer time is required to simulate short episodes from the life of biomolecules. Several approaches have been developed to overcome this obstacle, including application of massively parallel and special purpose computers or non-conventional hardware. Methodological approaches are represented by coarse-grained models and enhanced sampling techniques. These techniques can show how the studied system behaves in long time-scales on the basis of relatively short simulations. This review presents an overview of new simulation approaches, the theory behind enhanced sampling methods and success stories of their applications with a direct impact on biotechnology or drug design.

  9. Summary of Off-Normal Events in US Fuel Cycle Facilities for AFCI Applications

    SciTech Connect

    L. C. Cadwallader; S. J. Piet; S. O. Sheetz; D. H. McGuire; W. B. Boore

    2005-09-01

    This report is a collection and review of system operation and failure experiences for facilities comprising the fission reactor fuel cycle, with the exception of reactor operations. This report includes mines, mills, conversion plants, enrichment plants, fuel fabrication plants, transportation of fuel materials between these centers, and waste storage facilities. Some of the facilities discussed are no longer operating; others continue to produce fuel for the commercial fission power plant industry. Some of the facilities discussed have been part of the military’s nuclear effort; these are included when the processes used are similar to those used for commercial nuclear power. When reading compilations of incidents and accidents, after repeated entries it is natural to form an opinion that there exists nothing but accidents. For this reason, production or throughput values are described when available. These adverse operating experiences are compiled to support the design and decisions needed for the Advanced Fuel Cycle Initiative (AFCI). The AFCI is to weigh options for a new fission reactor fuel cycle that is efficient, safe, and productive for US energy security.

  10. AFCI Fuel Irradiation Test Plan, Test Specimens AFC-1Æ and AFC-1F

    SciTech Connect

    D. C. Crawford; S. L. Hayes; B. A. Hilton; M. K. Meyer; R. G. Ambrosek; G. S. Chang; D. J. Utterbeck

    2003-11-01

    The U. S. Advanced Fuel Cycle Initiative (AFCI) seeks to develop and demonstrate the technologies needed to transmute the long-lived transuranic actinide isotopes contained in spent nuclear fuel into shorter-lived fission products, thereby dramatically decreasing the volume of material requiring disposition and the long-term radiotoxicity and heat load of high-level waste sent to a geologic repository (DOE, 2003). One important component of the technology development is actinide-bearing transmutation fuel forms containing plutonium, neptunium, americium (and possibly curium) isotopes. There are little irradiation performance data available on non-fertile fuel forms, which would maximize the destruction rate of plutonium, and low-fertile (i.e., uranium-bearing) fuel forms, which would support a sustainable nuclear energy option. Initial scoping level irradiation tests on a variety of candidate fuel forms are needed to establish a transmutation fuel form design and evaluate deployment of transmutation fuels.

  11. AFCI UFP, Final Technical Report DE-FC07-00AL67053

    SciTech Connect

    Cathy Dixon

    2005-02-21

    The project ''Creating an Educational Consortium to Support the Recruitment and Retention of Expertise for the Nuclear Weapons Complex'' was also known as the Advanced Fuel Cycle Initiative (AFCI) University Fellowship Program. Since its inception, the Advanced Fuel Cycle Initiative program and its predecessor, the Advanced Accelerator Applications (AAA) program, have engaged university researchers and students in the sciences necessary to answer technical questions related to reducing high-level waste volumes, optimizing the economics and performance of Yucca Mountain, reducing the technical need for a second repository, reducing the long-term inventories of plutonium in spent fuel, and enabling the proliferation-resistant recovery of the energy contained in spent fuel. The Advanced Fuel Cycle University Fellowship Program is intended to support top students across the nation in a variety of disciplines that will be required to support transmutation research and technology development in the coming decades.

  12. Enhancing Dependent Sample Analyses with Graphics

    ERIC Educational Resources Information Center

    Pruzek, Robert M.; Helmreich, James E.

    2009-01-01

    A standard topic in many Introductory Statistics courses is the analysis of dependent samples. A simple graphical approach that is particularly relevant to dependent sample comparisons is presented, illustrated and discussed in the context of analyzing five real data sets. Each data set to be presented has been published in a textbook, usually…

  13. Designing an enhanced groundwater sample collection system

    SciTech Connect

    Schalla, R.

    1994-10-01

    As part of an ongoing technical support mission to achieve excellence and efficiency in environmental restoration activities at the Laboratory for Energy and Health-Related Research (LEHR), Pacific Northwest Laboratory (PNL) provided guidance on the design and construction of monitoring wells and identified the most suitable type of groundwater sampling pump and accessories for monitoring wells. The goal was to utilize a monitoring well design that would allow for hydrologic testing and reduce turbidity to minimize the impact of sampling. The sampling results of the newly designed monitoring wells were clearly superior to those of the previously installed monitoring wells. The new wells exhibited reduced turbidity, in addition to improved access for instrumentation and hydrologic testing. The variable frequency submersible pump was selected as the best choice for obtaining groundwater samples. The literature references are listed at the end of this report. Despite some initial difficulties, the actual performance of the variable frequency, submersible pump and its accessories was effective in reducing sampling time and labor costs, and its ease of use was preferred over the previously used bladder pumps. The surface seals system, called the Dedicator, proved to be useful accessory to prevent surface contamination while providing easy access for water-level measurements and for connecting the pump. Cost savings resulted from the use of the pre-production pumps (beta units) donated by the manufacturer for the demonstration. However, larger savings resulted from shortened field time due to the ease in using the submersible pumps and the surface seal access system. Proper deployment of the monitoring wells also resulted in cost savings and ensured representative samples.

  14. Advanced Fuel Cycle Initiative (AFCI) Repository Impact Evaluation FY-05 Progress Report

    SciTech Connect

    Halsey, W G

    2005-09-12

    An important long-term objective of advanced nuclear fuel cycle (AFC) technologies is to provide improvement in the long-term management of radioactive waste. Compared to a once-thru fuel cycle, it is possible to generate far less waste, and potentially easier waste to manage, with advanced fuel cycles. However, the precise extent and value of these benefits are complex and difficult to quantify. This document presents a status report of efforts within AFCI Systems Analysis to define and quantify the AFC benefits to geologic disposal, development of cooperative efforts with the US repository program, and participation with international evaluations of AFC impacts on waste management. The primary analysis of repository benefits is conducted by ANL. This year repository impact evaluations have included: (1) Continued evaluation of LWR recycle benefits in support of scenario analysis. (2) Extension of repository analyses to consider long-term dose reductions. (3) Developing the opportunity for cooperation with the U.S. repository program. (4) International cooperation with OECD-NEA.

  15. Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin

    PubMed Central

    Shaffer, Patrick; Valsson, Omar; Parrinello, Michele

    2016-01-01

    The capabilities of molecular simulations have been greatly extended by a number of widely used enhanced sampling methods that facilitate escaping from metastable states and crossing large barriers. Despite these developments there are still many problems which remain out of reach for these methods which has led to a vigorous effort in this area. One of the most important problems that remains unsolved is sampling high-dimensional free-energy landscapes and systems that are not easily described by a small number of collective variables. In this work we demonstrate a new way to compute free-energy landscapes of high dimensionality based on the previously introduced variationally enhanced sampling, and we apply it to the miniprotein chignolin. PMID:26787868

  16. Avoiding traps in trajectory space: metadynamics enhanced transition path sampling

    NASA Astrophysics Data System (ADS)

    Borrero, E. E.; Dellago, C.

    2016-07-01

    We propose a transition path sampling (TPS) scheme designed to enhance sampling in systems with multiple reaction channels. In this method, based on a combination of the metadynamics algorithm with the TPS shooting move, a history dependent bias drives the simulation towards unexplored reaction channels. The bias, constructed as a superposition of repulsive Gaussian potentials deposited on the trajectories harvested in the course of the simulation, acts only during the initial stage of the trajectory generation, but leaves the dynamics along the trajectories unaffected such that the sampled pathways are true dynamical trajectories. Simulations carried out for two test systems indicate that the new approach effortlessly switches between distinct reaction channels even if they are separated by high barriers in trajectory space.

  17. A Variational Approach to Enhanced Sampling and Free Energy Calculations

    NASA Astrophysics Data System (ADS)

    Parrinello, Michele

    2015-03-01

    The presence of kinetic bottlenecks severely hampers the ability of widely used sampling methods like molecular dynamics or Monte Carlo to explore complex free energy landscapes. One of the most popular methods for addressing this problem is umbrella sampling which is based on the addition of an external bias which helps overcoming the kinetic barriers. The bias potential is usually taken to be a function of a restricted number of collective variables. However constructing the bias is not simple, especially when the number of collective variables increases. Here we introduce a functional of the bias which, when minimized, allows us to recover the free energy. We demonstrate the usefulness and the flexibility of this approach on a number of examples which include the determination of a six dimensional free energy surface. Besides the practical advantages, the existence of such a variational principle allows us to look at the enhanced sampling problem from a rather convenient vantage point.

  18. Multivariate correction in laser-enhanced ionization with laser sampling

    NASA Astrophysics Data System (ADS)

    Popov, A. M.; Labutin, T. A.; Sychev, D. N.; Gorbatenko, A. A.; Zorov, N. B.

    2007-03-01

    The opportunity of normalizing laser-enhanced ionization (LEI) signals by several reference signals (RS) measured simultaneously has been examined in view of correcting variations of laser parameters and matrix interferences. Opto-acoustic, atomic emission and non-selective ionization signals and their paired combination were used as RS for Li determination in aluminum alloys (0-6% Mg, 0-5% Cu, 0-1% Sc, 0-1% Ag). The specific normalization procedure in case of RS essential multicollinearity has been proposed. LEI and RS for each definite ablation pulse energy were plotted in Cartesian co-ordinates ( x and y axes — the RS values, z axis — LEI signal). It was found that in the three-dimensional space the slope of the correlation line to the plane of RS depends on the analyte content in the solid sample. The use of this slope has therefore been proposed as a multivariate corrected analytical signal. Multivariate correlative normalization provides analytical signal free of matrix interferences for Al-Mg-Cu-Li alloys. The application of this novel approach to the determination of Li allows plotting unified calibration curves for Al-alloys of different matrix composition.

  19. Enhanced Sampling and Analysis, Selection of Technology for Testing

    SciTech Connect

    Svoboda, John; Meikrantz, David

    2010-02-01

    The focus of this study includes the investigation of sampling technologies used in industry and their potential application to nuclear fuel processing. The goal is to identify innovative sampling methods using state of the art techniques that could evolve into the next generation sampling and analysis system for metallic elements. This report details the progress made in the first half of FY 2010 and includes a further consideration of the research focus and goals for this year. Our sampling options and focus for the next generation sampling method are presented along with the criteria used for choosing our path forward. We have decided to pursue the option of evaluating the feasibility of microcapillary based chips to remotely collect, transfer, track and supply microliters of sample solutions to analytical equipment in support of aqueous processes for used nuclear fuel cycles. Microchip vendors have been screened and a choice made for the development of a suitable microchip design followed by production of samples for evaluation by ANL, LANL, and INL on an independent basis.

  20. Variational Approach to Enhanced Sampling and Free Energy Calculations

    NASA Astrophysics Data System (ADS)

    Valsson, Omar; Parrinello, Michele

    2014-08-01

    The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo simulations, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to alleviate this problem. Many are based on the introduction of a bias potential which is a function of a small number of collective variables. However constructing such a bias is not simple. Here we introduce a functional of the bias potential and an associated variational principle. The bias that minimizes the functional relates in a simple way to the free energy surface. This variational principle can be turned into a practical, efficient, and flexible sampling method. A number of numerical examples are presented which include the determination of a three-dimensional free energy surface. We argue that, beside being numerically advantageous, our variational approach provides a convenient and novel standpoint for looking at the sampling problem.

  1. Enhanced spot preparation for liquid extractive sampling and analysis

    DOEpatents

    Van Berkel, Gary J.; King, Richard C.

    2015-09-22

    A method for performing surface sampling of an analyte, includes the step of placing the analyte on a stage with a material in molar excess to the analyte, such that analyte-analyte interactions are prevented and the analyte can be solubilized for further analysis. The material can be a matrix material that is mixed with the analyte. The material can be provided on a sample support. The analyte can then be contacted with a solvent to extract the analyte for further processing, such as by electrospray mass spectrometry.

  2. Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics

    PubMed Central

    Bonomi, Massimiliano; Camilloni, Carlo; Vendruscolo, Michele

    2016-01-01

    Accurate and precise structural ensembles of proteins and macromolecular complexes can be obtained with metainference, a recently proposed Bayesian inference method that integrates experimental information with prior knowledge and deals with all sources of errors in the data as well as with sample heterogeneity. The study of complex macromolecular systems, however, requires an extensive conformational sampling, which represents a separate challenge. To address such challenge and to exhaustively and efficiently generate structural ensembles we combine metainference with metadynamics and illustrate its application to the calculation of the free energy landscape of the alanine dipeptide. PMID:27561930

  3. Enhancing Paradynamics for QM/MM Sampling of Enzymatic Reactions.

    PubMed

    Lameira, Jerônimo; Kupchencko, Ilya; Warshel, Arieh

    2016-03-10

    Despite the enormous increase in computer power, it is still extremely challenging to obtain computationally converging sampling of ab initio QM/MM (QM(ai)/MM) free energy surfaces in condensed phases. The sampling problem can be significantly reduced by the use of the reference potential paradynamics (PD) approach, but even this approach still requires major computer time in studies of enzymatic reactions. To further reduce the sampling problem we developed here a new PD version where we use an empirical valence bond reference potential that has a minimum rather than a maximum at the transition state region of the target potential (this is accomplished conveniently by shifting the EVB of the product state). Hence, we can map the TS region in a more efficient way. Here, we introduce and validate the inverted EVB PD approach. The validation involves the study of the S(N)2 step of the reaction catalyzed by haloakene dehalogenase (DhlA) and the GTP hydrolysis in the RasGAP system. In addition, we have also studied the corresponding reaction in water for each of the systems described here and the reaction involving trimethylsulfonium and dimethylamine in solution. The results are encouraging and the new strategy appears to provide a powerful way of evaluating QM(ai)/MM activation free energies. PMID:26866994

  4. Active sampling technique to enhance chemical signature of buried explosives

    NASA Astrophysics Data System (ADS)

    Lovell, John S.; French, Patrick D.

    2004-09-01

    Deminers and dismounted countermine engineers commonly use metal detectors, ground penetrating radar and probes to locate mines. Many modern landmines have a very low metal content, which severely limits the effectiveness of metal detectors. Canines have also been used for landmine detection for decades. Experiments have shown that canines smell the explosives which are known to leak from most types of landmines. The fact that dogs can detect landmines indicates that vapor sensing is a viable approach to landmine detection. Several groups are currently developing systems to detect landmines by "sniffing" for the ultra-trace explosive vapors above the soil. The amount of material that is available to passive vapor sensing systems is limited to no more than the vapor in equilibrium with the explosive related chemicals (ERCs) distributed in the surface soils over and near the landmine. The low equilibrium vapor pressure of TNT in the soil/atmosphere boundary layer and the limited volume of the boundary layer air imply that passive chemical vapor sensing systems require sensitivities in the picogram range, or lower. ADA is working to overcome many of the limitations of passive sampling methods, by the use of an active sampling method that employs a high-powered (1,200+ joules) strobe lamp to create a highly amplified plume of vapor and/or ERC-bearing fine particulates. Initial investigations have demonstrated that this approach can amplify the detectability of TNT by two or three orders of magnitude. This new active sampling technique could be used with any suitable explosive sensor.

  5. AFCI Options Study

    SciTech Connect

    R. Wigeland; T. Taiwo; M. Todosow; W. Halsey; J. Gehin

    2009-09-01

    This report describes the background and framework for both organizing the discussion and providing information on the potential for nuclear energy R&D to develop alternative nuclear fuel cycles that would address the issues with the current implementations of nuclear power, including nuclear waste disposal, proliferation risk, safety, security, economics, and sustainability. The disposition of used fuel is the cause of many of the concerns, and the possible approaches to used fuel management identify a number of basic technology areas that need to be considered. The basic science in each of the technology areas is discussed, emphasizing what science is currently available, where scientific knowledge may be insufficient, and especially to identify specific areas where transformational discoveries may allow achievement of performance goals not currently attainable. These discussions lead to the wide range of technical options that have been the basis for past and current research and development on advanced nuclear fuel cycles in the United States. The results of this work are then briefly reviewed to show the extent to which such approaches are capable of addressing the issues with nuclear power, the potential for moving further, and the inherent limitations.

  6. Rational use of stacking principles for signal enhancement in capillary electrophoretic separations of poliovirus samples.

    PubMed

    Oita, Iuliana; Halewyck, Hadewych; Pieters, Sigrid; Dejaegher, Bieke; Thys, Bert; Rombaut, Bart; Vander Heyden, Yvan

    2011-04-28

    The use of an earlier developed capillary electrophoresis (CE) method, either to investigate poliovirus (PV) samples with a low viral-purity level or to study the less abundant sub-viral particles, revealed the necessity for an intra-column signal enhancement strategy. Although intra-column signal enhancement is a very popular approach to assay small molecules, it is less straightforward for the analysis of biological macromolecules or particles. A reason could be that, for a proper signal enhancement approach, these samples have to be thoroughly studied to understand the factors affecting the separation process. For the investigated PV samples, a screening design revealed that injecting larger sample plugs significantly enhanced the analytical signal, but also significantly decreased the separation efficiency. A subsequently executed central composite design determined the largest sample plug that can be injected without compromising the separation. Finally, the sample dilution and the length of the injected plug were used for tuning the intensity of the analytical response. Two combinations of sample dilution and injected plug size, at extreme values, were investigated in detail to define the best procedure for PV analysis using CE. In both situations, PV was effectively separated and quantified in rather complex samples, showing a good repeatability, an acceptable linearity for the PV particles and a decreased limit of detection in comparison with the existing method. In conclusion, intra-column signal enhancement can be successfully applied for viral suspensions, extending the applicability of CE methods to samples with lower virus concentrations, and/or allowing a significant reduction in the minimum required volume of sample. For PV samples, 5μl of sample is necessary instead of the previous 20μl, while the analytical signal was enhanced up to 14 times. The results of this study can provide a basis for the development of routine CE methods for viral

  7. The mutual effect of metal sample and turboflame in LIBS signal enhancement

    NASA Astrophysics Data System (ADS)

    Ghezelbash, M.; Mousavi, S. J.; Majd, A. E.; Darbani, S. M. R.; Saghafifar, H.; Maleki, A.

    2016-08-01

    The main aim of the present study is to evaluate the mutual effect of copper sample and turboflame in laser induced breakdown spectroscopy (LIBS) signal enhancement. The use of copper sample leads to a signal enhancement in CN ( B 2Σ+- X 2Σ+) 384.2-388.4 nm molecular transition, N742nm, N744nm, N746nm (a triplet generated by the fine splitting of the 2 s 22 p 2(3 P)3 s-2 s 22 p 2(3 P)3 p transition) and Hα, 656.3 nm (as a flame inductor) atomic lines analysis. Additionally, increase in copper sample temperature with flame can enhance the Cu atomic line intensities (as copper sample inductors). Moreover, in this paper, the comparison between turboflame and alcohol flame on LIBS analysis was studied. LIBS signal intensity variation in a turboflame and turboflame coupled with copper sample at different laser pulse energies indicated that the low laser pulse energy could be compensated by using a copper sample that is coupled with turboflame and improved LIBS signal enhancement. For flames analysis, the use of metal sample in LIBS method is demonstrated to be costeffective, compact, and capable of signal enhancement.

  8. A New Pulsed Glow Discharge Source With Enhanced Ion Extraction for Small Non-Conductive Samples or Atmospheric Sampling

    SciTech Connect

    Jackson, Glen P.; Haire, Richard {Dick} G; Duckworth, Douglas {Doug} C

    2003-04-01

    An ionization source designed to efficiently utilize sub-milligram quantities of electrically non-conducting compounds (i.e. oxides) for prolonged periods of mass spectrometric analysis is described. The source is coupled to a quadrupole ion trap mass spectrometer in this report, but could readily be modified for alternative types of mass spectrometers. The coaxial-design glow discharge ion source is unique in that it incorporates a focusing lens behind the discharge surface to steer ions towards the ion sampling plate and thereby improve sensitivity. Non-conducting oxide samples are infused in indium and set in one end of an electrically conductive rod, to which the voltage is applied. Transmission efficiency is sufficient to allow the measurement of isotopes of tungsten from a tungsten rod using glow discharge pulse widths as narrow as 2 {micro}s, which is on the order of single-atom layer sputtering. The sputtering and ionization processes occurring in the discharge produces mainly atomic metal ions, regardless of the chemical form of the metals in the samples. This latter aspect is particularly useful for intended applications involving actinide samples, and allows a minimal amount of sample handling. In a second application, a metal capillary is used in place of the rod to create an atmospheric sampling glow discharge. In this mode, the ion-focusing lens was also found to enhance ion signals arising from volatile vapors entering the discharge from the capillary.

  9. Using novel variable transformations to enhance conformational sampling in molecular dynamics.

    PubMed

    Zhu, Zhongwei; Tuckerman, Mark E; Samuelson, Shane O; Martyna, Glenn J

    2002-03-11

    One of the computational "grand challenges" is to develop methodology capable of sampling conformational equilibria in systems with rough energy landscapes. Here, a significant step forward is made by combining molecular dynamics with a novel variable transformation designed to enhance sampling by reducing barriers without introducing bias and, thus, to preserve, perfectly, equilibrium properties.

  10. Enhancing angular sampling rate of integral floating display using dynamically variable apertures.

    PubMed

    Hong, Jisoo; Yeom, Jiwoon; Lee, Byoungho

    2012-04-23

    Two novel methods are proposed which enhance the angular sampling rate of the integral floating display by adopting dynamically variable apertures in front of the lenslet array or the floating lens. Adopted dynamically variable apertures are opened sequentially in synchronization with proper elemental images to subdivide the angular sampling step by time-multiplexing method. Our proposed method can enhance the angular sampling rate, which is related to an expressible longitudinal range, without sacrificing other visual quality factors in tradeoff relationship. Especially, our proposed method with apertures on the floating lens provides two-dimensional/three-dimensional convertible feature to integral floating display system.

  11. Enhanced Sampling in Free Energy Calculations: Combining SGLD with the Bennett's Acceptance Ratio and Enveloping Distribution Sampling Methods.

    PubMed

    König, Gerhard; Miller, Benjamin T; Boresch, Stefan; Wu, Xiongwu; Brooks, Bernard R

    2012-10-01

    One of the key requirements for the accurate calculation of free energy differences is proper sampling of conformational space. Especially in biological applications, molecular dynamics simulations are often confronted with rugged energy surfaces and high energy barriers, leading to insufficient sampling and, in turn, poor convergence of the free energy results. In this work, we address this problem by employing enhanced sampling methods. We explore the possibility of using self-guided Langevin dynamics (SGLD) to speed up the exploration process in free energy simulations. To obtain improved free energy differences from such simulations, it is necessary to account for the effects of the bias due to the guiding forces. We demonstrate how this can be accomplished for the Bennett's acceptance ratio (BAR) and the enveloping distribution sampling (EDS) methods. While BAR is considered among the most efficient methods available for free energy calculations, the EDS method developed by Christ and van Gunsteren is a promising development that reduces the computational costs of free energy calculations by simulating a single reference state. To evaluate the accuracy of both approaches in connection with enhanced sampling, EDS was implemented in CHARMM. For testing, we employ benchmark systems with analytical reference results and the mutation of alanine to serine. We find that SGLD with reweighting can provide accurate results for BAR and EDS where conventional molecular dynamics simulations fail. In addition, we compare the performance of EDS with other free energy methods. We briefly discuss the implications of our results and provide practical guidelines for conducting free energy simulations with SGLD.

  12. Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein Systems.

    PubMed

    Pan, Albert C; Weinreich, Thomas M; Piana, Stefano; Shaw, David E

    2016-03-01

    Molecular dynamics (MD) simulations can describe protein motions in atomic detail, but transitions between protein conformational states sometimes take place on time scales that are infeasible or very expensive to reach by direct simulation. Enhanced sampling methods, the aim of which is to increase the sampling efficiency of MD simulations, have thus been extensively employed. The effectiveness of such methods when applied to complex biological systems like proteins, however, has been difficult to establish because even enhanced sampling simulations of such systems do not typically reach time scales at which convergence is extensive enough to reliably quantify sampling efficiency. Here, we obtain sufficiently converged simulations of three proteins to evaluate the performance of simulated tempering, a member of a widely used class of enhanced sampling methods that use elevated temperature to accelerate sampling. Simulated tempering simulations with individual lengths of up to 100 μs were compared to (previously published) conventional MD simulations with individual lengths of up to 1 ms. With two proteins, BPTI and ubiquitin, we evaluated the efficiency of sampling of conformational states near the native state, and for the third, the villin headpiece, we examined the rate of folding and unfolding. Our comparisons demonstrate that simulated tempering can consistently achieve a substantial sampling speedup of an order of magnitude or more relative to conventional MD.

  13. Sampling Enhancement and Free Energy Prediction by the Flying Gaussian Method.

    PubMed

    Šućur, Zoran; Spiwok, Vojtěch

    2016-09-13

    We present a novel sampling enhancement and free energy prediction technique based on parallel simulation of the studied system with a shared bias potential. This history-independent bias potential is defined using selected degrees of freedom (collective variables). Each parallel walker of the system bears a single Gaussian shaped bias potential centered in current values of collective variables. Sampling enhancement is achieved by concentration of multiple walkers in certain free energy minimum. The method was successfully demonstrated on selected molecular systems, and presumed advantages over methods based on a history-dependent bias potential are discussed. PMID:27513623

  14. Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach.

    PubMed

    Burusco, Kepa K; Bruce, Neil J; Alibay, Irfan; Bryce, Richard A

    2015-10-26

    Free energy simulations are an established computational tool in modelling chemical change in the condensed phase. However, sampling of kinetically distinct substates remains a challenge to these approaches. As a route to addressing this, we link the methods of thermodynamic integration (TI) and swarm-enhanced sampling molecular dynamics (sesMD), where simulation replicas interact cooperatively to aid transitions over energy barriers. We illustrate the approach by using alchemical alkane transformations in solution, comparing them with the multiple independent trajectory TI (IT-TI) method. Free energy changes for transitions computed by using IT-TI grew increasingly inaccurate as the intramolecular barrier was heightened. By contrast, swarm-enhanced sampling TI (sesTI) calculations showed clear improvements in sampling efficiency, leading to more accurate computed free energy differences, even in the case of the highest barrier height. The sesTI approach, therefore, has potential in addressing chemical change in systems where conformations exist in slow exchange.

  15. Communication: Multiple atomistic force fields in a single enhanced sampling simulation

    SciTech Connect

    Hoang Viet, Man; Derreumaux, Philippe; Nguyen, Phuong H.

    2015-07-14

    The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

  16. Communication: Multiple atomistic force fields in a single enhanced sampling simulation.

    PubMed

    Hoang Viet, Man; Derreumaux, Philippe; Nguyen, Phuong H

    2015-07-14

    The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

  17. Modeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables

    NASA Astrophysics Data System (ADS)

    Hashemian, Behrooz; Millán, Daniel; Arroyo, Marino

    2013-12-01

    Collective variables (CVs) are low-dimensional representations of the state of a complex system, which help us rationalize molecular conformations and sample free energy landscapes with molecular dynamics simulations. Given their importance, there is need for systematic methods that effectively identify CVs for complex systems. In recent years, nonlinear manifold learning has shown its ability to automatically characterize molecular collective behavior. Unfortunately, these methods fail to provide a differentiable function mapping high-dimensional configurations to their low-dimensional representation, as required in enhanced sampling methods. We introduce a methodology that, starting from an ensemble representative of molecular flexibility, builds smooth and nonlinear data-driven collective variables (SandCV) from the output of nonlinear manifold learning algorithms. We demonstrate the method with a standard benchmark molecule, alanine dipeptide, and show how it can be non-intrusively combined with off-the-shelf enhanced sampling methods, here the adaptive biasing force method. We illustrate how enhanced sampling simulations with SandCV can explore regions that were poorly sampled in the original molecular ensemble. We further explore the transferability of SandCV from a simpler system, alanine dipeptide in vacuum, to a more complex system, alanine dipeptide in explicit water.

  18. Modeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables.

    PubMed

    Hashemian, Behrooz; Millán, Daniel; Arroyo, Marino

    2013-12-01

    Collective variables (CVs) are low-dimensional representations of the state of a complex system, which help us rationalize molecular conformations and sample free energy landscapes with molecular dynamics simulations. Given their importance, there is need for systematic methods that effectively identify CVs for complex systems. In recent years, nonlinear manifold learning has shown its ability to automatically characterize molecular collective behavior. Unfortunately, these methods fail to provide a differentiable function mapping high-dimensional configurations to their low-dimensional representation, as required in enhanced sampling methods. We introduce a methodology that, starting from an ensemble representative of molecular flexibility, builds smooth and nonlinear data-driven collective variables (SandCV) from the output of nonlinear manifold learning algorithms. We demonstrate the method with a standard benchmark molecule, alanine dipeptide, and show how it can be non-intrusively combined with off-the-shelf enhanced sampling methods, here the adaptive biasing force method. We illustrate how enhanced sampling simulations with SandCV can explore regions that were poorly sampled in the original molecular ensemble. We further explore the transferability of SandCV from a simpler system, alanine dipeptide in vacuum, to a more complex system, alanine dipeptide in explicit water. PMID:24320358

  19. Breast cancer detection based on serum sample surface enhanced Raman spectroscopy.

    PubMed

    Vargas-Obieta, Enrique; Martínez-Espinosa, Juan Carlos; Martínez-Zerega, Brenda Esmeralda; Jave-Suárez, Luis Felipe; Aguilar-Lemarroy, Adriana; González-Solís, José Luis

    2016-09-01

    Raman spectroscopy is a vibrational technique which provides information about the chemical structure. Nevertheless, since many chemicals are present in a sample at very low concentration, the Raman signal observed is extremely weak. In surface enhanced Raman scattering (SERS), Raman signals can be enhanced by many orders of magnitude when nanoparticles are used. To the best of our knowledge, this is the first report in the breast cancer detection based on serum SERS. The serum samples were obtained from 12 patients who were clinically diagnosed with advanced breast cancer and 15 controls. In the same proportion, the serum samples were mixed with colloidal gold nanoparticles of 40 nm using sonication. At least 10 spectra were collected of each serum sample using a Jobin-Yvon LabRAM Raman Spectrometer with a laser of 830 nm. Raw spectra were processed by carrying baseline correction, smoothing, and normalization and then analyzed using principle component analysis (PCA) and linear discriminant analysis (LDA). Raman spectra showed strongly enhanced bands in the 600-1800 cm (-1) range due to the nanoparticle colloidal clusters observed. These Raman bands allowed identifying biomolecules present at low concentration as amide I and III, β carotene, glutathione, tryptophan, tyrosine, and phenylalanine. Preliminary results demonstrated that SERS and PCA-LDA can be used to discriminate between control and cancer samples with high sensitivity and specificity. SERS allowed short exposures and required a minimal sample preparation. The preliminary results suggest that SERS and PCA-LDA could be an excellent support technique for the breast cancer detection using serum samples.

  20. Breast cancer detection based on serum sample surface enhanced Raman spectroscopy.

    PubMed

    Vargas-Obieta, Enrique; Martínez-Espinosa, Juan Carlos; Martínez-Zerega, Brenda Esmeralda; Jave-Suárez, Luis Felipe; Aguilar-Lemarroy, Adriana; González-Solís, José Luis

    2016-09-01

    Raman spectroscopy is a vibrational technique which provides information about the chemical structure. Nevertheless, since many chemicals are present in a sample at very low concentration, the Raman signal observed is extremely weak. In surface enhanced Raman scattering (SERS), Raman signals can be enhanced by many orders of magnitude when nanoparticles are used. To the best of our knowledge, this is the first report in the breast cancer detection based on serum SERS. The serum samples were obtained from 12 patients who were clinically diagnosed with advanced breast cancer and 15 controls. In the same proportion, the serum samples were mixed with colloidal gold nanoparticles of 40 nm using sonication. At least 10 spectra were collected of each serum sample using a Jobin-Yvon LabRAM Raman Spectrometer with a laser of 830 nm. Raw spectra were processed by carrying baseline correction, smoothing, and normalization and then analyzed using principle component analysis (PCA) and linear discriminant analysis (LDA). Raman spectra showed strongly enhanced bands in the 600-1800 cm (-1) range due to the nanoparticle colloidal clusters observed. These Raman bands allowed identifying biomolecules present at low concentration as amide I and III, β carotene, glutathione, tryptophan, tyrosine, and phenylalanine. Preliminary results demonstrated that SERS and PCA-LDA can be used to discriminate between control and cancer samples with high sensitivity and specificity. SERS allowed short exposures and required a minimal sample preparation. The preliminary results suggest that SERS and PCA-LDA could be an excellent support technique for the breast cancer detection using serum samples. PMID:27289243

  1. Lateral resolution enhancement of vertical scanning interferometry by sub-pixel sampling.

    PubMed

    Arvidson, Rolf S; Fischer, Cornelius; Sawyer, Dale S; Scott, Gavin D; Natelson, Douglas; Lüttge, Andreas

    2014-02-01

    We apply common image enhancement principles and sub-pixel sample positioning to achieve a significant enhancement in the spatial resolution of a vertical scanning interferometer. We illustrate the potential of this new method using a standard atomic force microscope calibration grid and other materials having motifs of known lateral and vertical dimensions. This approach combines the high vertical resolution of vertical scanning interferometry and its native advantages (large field of view, rapid and nondestructive data acquisition) with important increases in lateral resolution. This combination offers the means to address a common challenge in microscopy: the integration of properties and processes that depend on, and vary as a function of observational length.

  2. An aerodynamic assisted miniature mass spectrometer for enhanced volatile sample analysis.

    PubMed

    Zhai, Yanbing; Jiang, Ting; Huang, Guangyan; Wei, Yongzheng; Xu, Wei

    2016-09-21

    Previously, we have reported the development of a miniature mass spectrometer with a continuous atmospheric pressure interface (CAPI), and the use of it for non-volatile sample analysis, such as drugs, peptides and proteins. However due to the diffusion effects in the CAPI, especially stronger for light ions, the instrument shows low detection sensitivities for volatile samples when coupling with an atmosphere pressure chemical ionization (APCI) source (>ppmv). In this study, an in-vacuum plasma ionization source was designed and integrated into the system. By performing ionization in the first vacuum stage, ion transfer loss through the CAPI was minimized and tens of ppbv level detection sensitivities were achieved for volatile samples. Due to its improved sensitivity, chemical source tracing was demonstrated in an indoor environment as a simple proof-of-concept example. Furthermore, an aerodynamic sampling method was developed to facilitate directional sample transfer towards the miniature mass spectrometer in an open environment. By coupling this aerodynamic method with the miniature mass spectrometer, remote chemical source sensing could be achieved at a distance of more than two meters. This aerodynamic sampling method could also be applied to other mass spectrometry instruments for enhanced sample sampling in open environments.

  3. A modified transmission tip-enhanced Raman scattering (TERS) setup provides access to opaque samples.

    PubMed

    Deckert-Gaudig, Tanja; Richter, Marc; Knebel, Detlef; Jähnke, Torsten; Jankowski, Tilo; Stock, Erik; Deckert, Volker

    2014-01-01

    The combination of scanning probe microscopy and Raman spectroscopy enables chemical characterization of surfaces at highest spatial resolution. This so-called tip-enhanced Raman scattering (TERS) can be employed for a variety of samples where a label-free characterization or identification of constituents on the nanometer scale is pursued. Present TERS setup geometries are always a compromise for specific dedicated applications and show different advantages and disadvantages: Transmission back-reflection setups, when using immersion objectives with a high numerical aperture, intrinsically provide the highest collection efficiency but cannot be applied for opaque samples. Those samples demand upright setups, at the cost of lower collection efficiency, even though very efficient systems using a parabolic mirror for illumination and collection have been demonstrated. In this contribution it is demonstrated that the incorporation of a dichroic mirror to a transmission TERS setup provides easy access to opaque samples without further modification of the setup. PMID:25061793

  4. Enhancing resolution of free-flow zone electrophoresis via a simple sheath-flow sample injection.

    PubMed

    Yang, Ying; Kong, Fan-Zhi; Liu, Ji; Li, Jun-Min; Liu, Xiao-Ping; Li, Guo-Qing; Wang, Ju-Fang; Xiao, Hua; Fan, Liu-Yin; Cao, Cheng-Xi; Li, Shan

    2016-07-01

    In this work, a simple and novel sheath-flow sample injection method (SFSIM) is introduced to reduce the band broadening of free-flow zone electrophoresis separation in newly developed self-balance free-flow electrophoresis instrument. A needle injector was placed in the center of the separation inlet, into which the BGE and sample solution were pumped simultaneously. BGE formed sheath flow outside the sample stream, resulting in less band broadening related to hydrodynamics and electrodynamics. Hemoglobin and C-phycocyanin were successfully separated by the proposed method in contrast to the poor separation of free-flow electrophoresis with the traditional injection method without sheath flow. About 3.75 times resolution enhancement could be achieved by sheath-flow sample injection method. PMID:27121853

  5. Adaptive k-space sampling design for edge-enhanced DCE-MRI using compressed sensing.

    PubMed

    Raja, Rajikha; Sinha, Neelam

    2014-09-01

    The critical challenge in dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) is the trade-off between spatial and temporal resolution due to the limited availability of acquisition time. To address this, it is imperative to under-sample k-space and to develop specific reconstruction techniques. Our proposed method reconstructs high-quality images from under-sampled dynamic k-space data by proposing two main improvements; i) design of an adaptive k-space sampling lattice and ii) edge-enhanced reconstruction technique. A high-resolution data set obtained before the start of the dynamic phase is utilized. The sampling pattern is designed to adapt to the nature of k-space energy distribution obtained from the static high-resolution data. For image reconstruction, the well-known compressed sensing-based total variation (TV) minimization constrained reconstruction scheme is utilized by incorporating the gradient information obtained from the static high-resolution data. The proposed method is tested on seven real dynamic time series consisting of 2 breast data sets and 5 abdomen data sets spanning 1196 images in all. For data availability of only 10%, performance improvement is seen across various quality metrics. Average improvements in Universal Image Quality Index and Structural Similarity Index Metric of up to 28% and 24% on breast data and about 17% and 9% on abdomen data, respectively, are obtained for the proposed method as against the baseline TV reconstruction with variable density random sampling pattern.

  6. Donor-Acceptor Distance Sampling Enhances the Performance of "Better than Nature" Nicotinamide Coenzyme Biomimetics.

    PubMed

    Geddes, Alexander; Paul, Caroline E; Hay, Sam; Hollmann, Frank; Scrutton, Nigel S

    2016-09-01

    Understanding the mechanisms of enzymatic hydride transfer with nicotinamide coenzyme biomimetics (NCBs) is critical to enhancing the performance of nicotinamide coenzyme-dependent biocatalysts. Here the temperature dependence of kinetic isotope effects (KIEs) for hydride transfer between "better than nature" NCBs and several ene reductase biocatalysts is used to indicate transfer by quantum mechanical tunneling. A strong correlation between rate constants and temperature dependence of the KIE (ΔΔH(⧧)) for H/D transfer implies that faster reactions with NCBs are associated with enhanced donor-acceptor distance sampling. Our analysis provides the first mechanistic insight into how NCBs can outperform their natural counterparts and emphasizes the need to optimize donor-acceptor distance sampling to obtain high catalytic performance from H-transfer enzymes. PMID:27552302

  7. Microbial activity in subsurface samples before and during nitrate-enhanced bioremediation

    SciTech Connect

    Thomas, J.M.; Gordy, V.R.; Bruce, C.L.; Ward, C.H.; Hutchins, S.R.; Sinclair, J.L.

    1995-12-31

    A study was conducted to determine the microbial activity at a site contaminated with JP-4 jet fuel before and during nitrate-enhanced bioremediation. Samples at three depths from six different locations were collected aseptically under anaerobic conditions before and during treatment. Cores were located in or close to the source of contamination, downgradient of the source, or outside the zone of contamination. Parameters for microbial characterization included (1) viable counts of aerobic heterotrophic, JP-4 degrading, and oligotrophic bacteria; (2) the most probable number (MPN) of aerobic and anaerobic protozoa; (3) the MPN of total denitrifiers; and (4) the MPN of denitrifiers in hydrocarbon-amended microcosms. The results indicate that the total number of denitrifiers increased by an order of magnitude during nitrate-enhanced bioremediation in most samples. The number of total heterotrophs and JP-4-degrading microorganisms growing aerobically also increased. In addition, the first anaerobic protozoa associated with hydrocarbon-contaminated subsurface materials were detected.

  8. Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A Review

    PubMed Central

    Fujisaki, Hiroshi; Moritsugu, Kei; Matsunaga, Yasuhiro; Morishita, Tetsuya; Maragliano, Luca

    2015-01-01

    Molecular Dynamics simulations are a powerful approach to study biomolecular conformational changes or protein–ligand, protein–protein, and protein–DNA/RNA interactions. Straightforward applications, however, are often hampered by incomplete sampling, since in a typical simulated trajectory the system will spend most of its time trapped by high energy barriers in restricted regions of the configuration space. Over the years, several techniques have been designed to overcome this problem and enhance space sampling. Here, we review a class of methods that rely on the idea of extending the set of dynamical variables of the system by adding extra ones associated to functions describing the process under study. In particular, we illustrate the Temperature Accelerated Molecular Dynamics (TAMD), Logarithmic Mean Force Dynamics (LogMFD), and Multiscale Enhanced Sampling (MSES) algorithms. We also discuss combinations with techniques for searching reaction paths. We show the advantages presented by this approach and how it allows to quickly sample important regions of the free-energy landscape via automatic exploration. PMID:26389113

  9. Enhanced contrast separation in scanning electron microscopes via a suspended-thin sample approach.

    PubMed

    Ji, Yuan; Wang, Li; Guo, Zhenxi; Wei, Bin; Zhao, Jie; Wang, Xiaodong; Zhang, Yinqi; Sui, Manling; Han, Xiaodong

    2014-11-01

    A suspended-thin-sample (STS) approach for signal selection and contrast separation is developed in scanning electron microscopes with commonly used primary beam energies and traditional detectors. Topography contrast, electron channeling contrast and composition contrast are separated and largely enhanced from suspended thin samples of several hundred nanometers in thickness, which is less than the escape depth of backscattered electrons. This imaging technique enables to detect relatively pure secondary electron and elastic backscattered electron singles, whereas suppress multiple inelastic scattering effects. The provided contrast features are different from those of bulk samples, which are largely mixed with inelastic scattering effects. The STS imaging concept and method could be expected to have more applications in distinguishing materials of nanostructures, multilayers, compounds and composites, as well as in SEM-based electron backscatter diffraction, cathodoluminesence, and x-ray microanalysis.

  10. Bespoke Bias for Obtaining Free Energy Differences within Variationally Enhanced Sampling.

    PubMed

    McCarty, James; Valsson, Omar; Parrinello, Michele

    2016-05-10

    Obtaining efficient sampling of multiple metastable states through molecular dynamics and hence determining free energy differences is central for understanding many important phenomena. Here we present a new biasing strategy, which employs the recent variationally enhanced sampling approach (Valsson and Parrinello Phys. Rev. Lett. 2014, 113, 090601). The bias is constructed from an intuitive model of the local free energy surface describing fluctuations around metastable minima and depends on only a few parameters which are determined variationally such that efficient sampling between states is obtained. The bias constructed in this manner largely reduces the need of finding a set of collective variables that completely spans the conformational space of interest, as they only need to be a locally valid descriptor of the system about its local minimum. We introduce the method and demonstrate its power on two representative examples. PMID:27057791

  11. Implementation of an Enhanced Measurement Control Program for handling nuclear safety samples at WSRC

    SciTech Connect

    Boler-Melton, C.; Holland, M.K.

    1991-12-31

    In the separation and purification of nuclear material, nuclear criticality safety (NCS) is of primary concern. The primary nuclear criticality safety controls utilized by the Savannah River Site (SRS) Separations Facilities involve administrative and process equipment controls. Additional assurance of NCS is obtained by identifying key process hold points where sampling is used to independently verify the effectiveness of production control. Nuclear safety measurements of samples from these key process locations provide a high degree of assurance that processing conditions are within administrative and procedural nuclear safety controls. An enhanced procedure management system aimed at making improvements in the quality, safety, and conduct of operation was implemented for Nuclear Safety Sample (NSS) receipt, analysis, and reporting. All procedures with nuclear safety implications were reviewed for accuracy and adequate detail to perform the analytical measurements safely, efficiently, and with the utmost quality. Laboratory personnel worked in a ``Deliberate Operating`` mode (a systematic process requiring continuous expert oversight during all phases of training, testing, and implementation) to initiate the upgrades. Thus, the effort to revise and review nuclear safety sample procedures involved a team comprised of a supervisor, chemist, and two technicians for each procedure. Each NSS procedure was upgraded to a ``Use Every Time`` (UET) procedure with sign-off steps to ensure compliance with each step for every nuclear safety sample analyzed. The upgrade program met and exceeded both the long and short term customer needs by improving measurement reliability, providing objective evidence of rigid adherence to program principles and requirements, and enhancing the system for independent verification of representative sampling from designated NCS points.

  12. Implementation of an Enhanced Measurement Control Program for handling nuclear safety samples at WSRC

    SciTech Connect

    Boler-Melton, C.; Holland, M.K.

    1991-01-01

    In the separation and purification of nuclear material, nuclear criticality safety (NCS) is of primary concern. The primary nuclear criticality safety controls utilized by the Savannah River Site (SRS) Separations Facilities involve administrative and process equipment controls. Additional assurance of NCS is obtained by identifying key process hold points where sampling is used to independently verify the effectiveness of production control. Nuclear safety measurements of samples from these key process locations provide a high degree of assurance that processing conditions are within administrative and procedural nuclear safety controls. An enhanced procedure management system aimed at making improvements in the quality, safety, and conduct of operation was implemented for Nuclear Safety Sample (NSS) receipt, analysis, and reporting. All procedures with nuclear safety implications were reviewed for accuracy and adequate detail to perform the analytical measurements safely, efficiently, and with the utmost quality. Laboratory personnel worked in a Deliberate Operating'' mode (a systematic process requiring continuous expert oversight during all phases of training, testing, and implementation) to initiate the upgrades. Thus, the effort to revise and review nuclear safety sample procedures involved a team comprised of a supervisor, chemist, and two technicians for each procedure. Each NSS procedure was upgraded to a Use Every Time'' (UET) procedure with sign-off steps to ensure compliance with each step for every nuclear safety sample analyzed. The upgrade program met and exceeded both the long and short term customer needs by improving measurement reliability, providing objective evidence of rigid adherence to program principles and requirements, and enhancing the system for independent verification of representative sampling from designated NCS points.

  13. Identification of Metal Oxide Nanoparticles in Histological Samples by Enhanced Darkfield Microscopy and Hyperspectral Mapping.

    PubMed

    Roth, Gary A; Sosa Peña, Maria del Pilar; Neu-Baker, Nicole M; Tahiliani, Sahil; Brenner, Sara A

    2015-01-01

    Nanomaterials are increasingly prevalent throughout industry, manufacturing, and biomedical research. The need for tools and techniques that aid in the identification, localization, and characterization of nanoscale materials in biological samples is on the rise. Currently available methods, such as electron microscopy, tend to be resource-intensive, making their use prohibitive for much of the research community. Enhanced darkfield microscopy complemented with a hyperspectral imaging system may provide a solution to this bottleneck by enabling rapid and less expensive characterization of nanoparticles in histological samples. This method allows for high-contrast nanoscale imaging as well as nanomaterial identification. For this technique, histological tissue samples are prepared as they would be for light-based microscopy. First, positive control samples are analyzed to generate the reference spectra that will enable the detection of a material of interest in the sample. Negative controls without the material of interest are also analyzed in order to improve specificity (reduce false positives). Samples can then be imaged and analyzed using methods and software for hyperspectral microscopy or matched against these reference spectra in order to provide maps of the location of materials of interest in a sample. The technique is particularly well-suited for materials with highly unique reflectance spectra, such as noble metals, but is also applicable to other materials, such as semi-metallic oxides. This technique provides information that is difficult to acquire from histological samples without the use of electron microscopy techniques, which may provide higher sensitivity and resolution, but are vastly more resource-intensive and time-consuming than light microscopy. PMID:26709947

  14. Identification of Metal Oxide Nanoparticles in Histological Samples by Enhanced Darkfield Microscopy and Hyperspectral Mapping

    PubMed Central

    Roth, Gary A.; Sosa Peña, Maria del Pilar; Neu-Baker, Nicole M.; Tahiliani, Sahil; Brenner, Sara A.

    2015-01-01

    Nanomaterials are increasingly prevalent throughout industry, manufacturing, and biomedical research. The need for tools and techniques that aid in the identification, localization, and characterization of nanoscale materials in biological samples is on the rise. Currently available methods, such as electron microscopy, tend to be resource-intensive, making their use prohibitive for much of the research community. Enhanced darkfield microscopy complemented with a hyperspectral imaging system may provide a solution to this bottleneck by enabling rapid and less expensive characterization of nanoparticles in histological samples. This method allows for high-contrast nanoscale imaging as well as nanomaterial identification. For this technique, histological tissue samples are prepared as they would be for light-based microscopy. First, positive control samples are analyzed to generate the reference spectra that will enable the detection of a material of interest in the sample. Negative controls without the material of interest are also analyzed in order to improve specificity (reduce false positives). Samples can then be imaged and analyzed using methods and software for hyperspectral microscopy or matched against these reference spectra in order to provide maps of the location of materials of interest in a sample. The technique is particularly well-suited for materials with highly unique reflectance spectra, such as noble metals, but is also applicable to other materials, such as semi-metallic oxides. This technique provides information that is difficult to acquire from histological samples without the use of electron microscopy techniques, which may provide higher sensitivity and resolution, but are vastly more resource-intensive and time-consuming than light microscopy. PMID:26709947

  15. Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms.

    PubMed

    Mori, Takaharu; Miyashita, Naoyuki; Im, Wonpil; Feig, Michael; Sugita, Yuji

    2016-07-01

    This paper reviews various enhanced conformational sampling methods and explicit/implicit solvent/membrane models, as well as their recent applications to the exploration of the structure and dynamics of membranes and membrane proteins. Molecular dynamics simulations have become an essential tool to investigate biological problems, and their success relies on proper molecular models together with efficient conformational sampling methods. The implicit representation of solvent/membrane environments is reasonable approximation to the explicit all-atom models, considering the balance between computational cost and simulation accuracy. Implicit models can be easily combined with replica-exchange molecular dynamics methods to explore a wider conformational space of a protein. Other molecular models and enhanced conformational sampling methods are also briefly discussed. As application examples, we introduce recent simulation studies of glycophorin A, phospholamban, amyloid precursor protein, and mixed lipid bilayers and discuss the accuracy and efficiency of each simulation model and method. This article is part of a Special Issue entitled: Membrane Proteins edited by J.C. Gumbart and Sergei Noskov.

  16. Enhancement of low sampling frequency recordings for ECG biometric matching using interpolation.

    PubMed

    Sidek, Khairul Azami; Khalil, Ibrahim

    2013-01-01

    Electrocardiogram (ECG) based biometric matching suffers from high misclassification error with lower sampling frequency data. This situation may lead to an unreliable and vulnerable identity authentication process in high security applications. In this paper, quality enhancement techniques for ECG data with low sampling frequency has been proposed for person identification based on piecewise cubic Hermite interpolation (PCHIP) and piecewise cubic spline interpolation (SPLINE). A total of 70 ECG recordings from 4 different public ECG databases with 2 different sampling frequencies were applied for development and performance comparison purposes. An analytical method was used for feature extraction. The ECG recordings were segmented into two parts: the enrolment and recognition datasets. Three biometric matching methods, namely, Cross Correlation (CC), Percent Root-Mean-Square Deviation (PRD) and Wavelet Distance Measurement (WDM) were used for performance evaluation before and after applying interpolation techniques. Results of the experiments suggest that biometric matching with interpolated ECG data on average achieved higher matching percentage value of up to 4% for CC, 3% for PRD and 94% for WDM. These results are compared with the existing method when using ECG recordings with lower sampling frequency. Moreover, increasing the sample size from 56 to 70 subjects improves the results of the experiment by 4% for CC, 14.6% for PRD and 0.3% for WDM. Furthermore, higher classification accuracy of up to 99.1% for PCHIP and 99.2% for SPLINE with interpolated ECG data as compared of up to 97.2% without interpolation ECG data verifies the study claim that applying interpolation techniques enhances the quality of the ECG data. PMID:23062461

  17. Enhanced Cleaning of Genesis Solar Wind Sample 61348 for Film Residue Removal

    NASA Technical Reports Server (NTRS)

    Allums, K. K.; Gonzalez, C. P.; Kuhlman, K. R.; Allton, J. H.

    2015-01-01

    The Genesis mission returned to Earth on September 8, 2004, experiencing a nonnominal reentry. During the recovery of the collector materials from the capsule, many of the collector fragments were placed on the adhesive protion of post-it notes to prevent the fragments from moving during transport back to Johnson Space Center. This unknowingly provided an additional contaminate that would prove difficult to remove with the limited chemistries allowed in the Genesis Curation Laboratory. Generally when collector material samples are prepared for allocation to PIs, the samples are cleaned front side only with Ultra-Pure Water (UPW) via megasonic dispersion to the collector surface to remove crash debris and contamination. While this cleaning method works well on samples that were not placed on post-its during recovery, it has caused movement of the residue on the back of the sample to be deposited on the front in at least two examples. Therefore, samples placed on the adhesive portion on post-it note, require enhanced cleaning methods since post-it residue has proved resistant to UPW cleaning.

  18. Detection and analysis of cyclotrimethylenetrinitramine (RDX) in environmental samples by surface-enhanced Raman spectroscopy

    SciTech Connect

    Hatab, Nahla A.; Gu, Baohua; Eres, Gyula; Hatzinger, Paul B.

    2010-10-01

    Techniques for rapid and sensitive detection of energetics such as cyclotrimethylenetrinitramine (RDX) are needed both for environmental and security screening applications. Here we report the use of surface-enhanced Raman scattering (SERS) spectroscopy to detect traces of RDX with good sensitivity and reproducibility. Using gold (Au) nanoparticles ( 90 100 nm in diameter) as SERS substrates, RDX was detectable at concentrations as low as 0.15 mg/l in a contaminated groundwater sample. This detection limit is about two orders of magnitude lower than those reported previously using SERS techniques. A surface enhancement factor of 6 104 was obtained. This research further demonstrates the potential for using SERS as a rapid, in situ field screening tool for energetics detection when coupled with a portable Raman spectrometer.

  19. Detection and Analysis of Cyclotrimethylenetrinitramine (RDX) in Environmental Samples by Surface Enhanced Raman Spectroscopy

    SciTech Connect

    Abu Hatab, Nahla A; Eres, Gyula; Hatzinger, Paul B.; Gu, Baohua

    2010-01-01

    Techniques for rapid and sensitive detection of energetics such as cyclotrimethylenetrinitramine (RDX) are needed both for environmental and security screening applications. Here we report the use of surface enhanced Raman spectroscopy (SERS) to detect traces of RDX with good sensitivity and reproducibility. Using gold (Au) nanoparticles (~90-100 nm in diameter) as SERS substrates, RDX was detectable at concentrations as low as 0.15 mg/L in a contaminated groundwater sample. This detection limit is about two orders of magnitude lower than those reported previously using SERS techniques. A surface enhancement factor of ~6x104 was obtained. This research further demonstrates the potential for using SERS as a rapid, in-situ field screening tool for energetics detection when coupled with a portable Raman spectrometer.

  20. Highly efficient sample stacking by enhanced field amplification on a simple paper device.

    PubMed

    Ma, Biao; Song, Yi-Zhen; Niu, Ji-Cheng; Wu, Zhi-Yong

    2016-09-21

    We present a novel electrokinetic stacking (ES) method based on field amplification on a simple paper device for sample preconcentration. With voltage application, charged probe ions in a solution of lower conductivity stack and form a narrow band at the boundary between the sample and the background electrolyte of higher conductivity. The stacking band appears quickly and stabilizes in a few minutes. With this ES method, three orders of magnitude signal improvement was successfully achieved for both a fluorescein probe and a double-stranded DNA within 300 s. This enhanced stacking efficiency is attributed to a focusing effect due to the balance between electromigration and counter electroosmotic flow. We also applied this ES method to other low-cost fiber substrates such as cloth and thread. Such a simple and highly efficient ES method will find wide applications in the development of sensitive paper-based analytical devices (PADs), especially for low-cost point-of-care testing (POCT).

  1. Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering.

    PubMed

    Gil-Ley, Alejandro; Bussi, Giovanni

    2015-03-10

    The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated in a Hamiltonian replica-exchange scheme. The ladder of replicas is built with different strengths of the bias potential exploiting the tunability of well-tempered metadynamics. Using this method, free-energy barriers of individual collective variables are significantly reduced compared with simple force-field scaling. The introduced methodology is flexible and allows adaptive bias potentials to be self-consistently constructed for a large number of simple collective variables, such as distances and dihedral angles. The method is tested on alanine dipeptide and applied to the difficult problem of conformational sampling in a tetranucleotide.

  2. Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering

    PubMed Central

    2015-01-01

    The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated in a Hamiltonian replica-exchange scheme. The ladder of replicas is built with different strengths of the bias potential exploiting the tunability of well-tempered metadynamics. Using this method, free-energy barriers of individual collective variables are significantly reduced compared with simple force-field scaling. The introduced methodology is flexible and allows adaptive bias potentials to be self-consistently constructed for a large number of simple collective variables, such as distances and dihedral angles. The method is tested on alanine dipeptide and applied to the difficult problem of conformational sampling in a tetranucleotide. PMID:25838811

  3. Multiscale enhanced path sampling based on the Onsager-Machlup action: application to a model polymer.

    PubMed

    Fujisaki, Hiroshi; Shiga, Motoyuki; Moritsugu, Kei; Kidera, Akinori

    2013-08-01

    We propose a novel path sampling method based on the Onsager-Machlup (OM) action by generalizing the multiscale enhanced sampling technique suggested by Moritsugu and co-workers [J. Chem. Phys. 133, 224105 (2010)]. The basic idea of this method is that the system we want to study (for example, some molecular system described by molecular mechanics) is coupled to a coarse-grained (CG) system, which can move more quickly and can be computed more efficiently than the original system. We simulate this combined system (original + CG system) using Langevin dynamics where different heat baths are coupled to the two systems. When the coupling is strong enough, the original system is guided by the CG system, and is able to sample the configuration and path space with more efficiency. We need to correct the bias caused by the coupling, however, by employing the Hamiltonian replica exchange, where we prepare many path replicas with different coupling strengths. As a result, an unbiased path ensemble for the original system can be found in the weakest coupling path ensemble. This strategy is easily implemented because a weight for a path calculated by the OM action is formally the same as the Boltzmann weight if we properly define the path "Hamiltonian." We apply this method to a model polymer with Asakura-Oosawa interaction, and compare the results with the conventional transition path sampling method.

  4. Enhanced procedural blank control for organic geochemical studies of critical sample material.

    PubMed

    Leider, A; Schumacher, T C; Hallmann, C

    2016-09-01

    . Artificial black shale pellets can provide enhanced contamination control in biomarker studies - particularly for exceptionally vulnerable samples such as Precambrian rocks, meteorites or extraterrestrial sample-return material.

  5. Enhanced procedural blank control for organic geochemical studies of critical sample material.

    PubMed

    Leider, A; Schumacher, T C; Hallmann, C

    2016-09-01

    . Artificial black shale pellets can provide enhanced contamination control in biomarker studies - particularly for exceptionally vulnerable samples such as Precambrian rocks, meteorites or extraterrestrial sample-return material. PMID:27027877

  6. Determination of amphetamines in biological samples using electro enhanced solid-phase microextraction-gas chromatography.

    PubMed

    Zeng, Jingbin; Chen, Jingjing; Li, Min; Subhan, Fazle; Chong, Fayun; Wen, Chongying; Yu, Jianfeng; Cui, Bingwen; Chen, Xi

    2015-09-01

    In this work, an ordered mesoporous carbon (OMC)/Nafion coated fiber for solid-phase microextraction (SPME) was prepared and used as the working electrode for electro-enhanced SPME (EE-SPME) of amphetamines. The EE-SPME strategy is primarily based on the electro-migration and complementary charge interaction between fiber coating and ionic compounds. Compared with traditional SPME, EE-SPME exhibited excellent extraction efficiency for amphetamine (AP) and methamphetamine (MA) with an enhancement factor of 7.8 and 12.1, respectively. The present strategy exhibited good linearity for the determination of AP and MA in urine samples in the range of 10-1000ngmL(-1) and 20-1000ngmL(-1), respectively. The detection limits were found to be 1.2ngmL(-1) for AP and 4.8ngmL(-1) for MA. The relative standard deviations were calculated to be 6.2% and 8.5% for AP and MA, respectively. Moreover, the practical application of the proposed method was demonstrated by analyzing the amphetamines in urine and serum samples with satisfactory results.

  7. New approach based on compressive sampling for sample rate enhancement in DASs for low-cost sensing nodes.

    PubMed

    Bonavolontà, Francesco; D'Apuzzo, Massimo; Liccardo, Annalisa; Vadursi, Michele

    2014-10-13

    The paper deals with the problem of improving the maximum sample rate of analog-to-digital converters (ADCs) included in low cost wireless sensing nodes. To this aim, the authors propose an efficient acquisition strategy based on the combined use of high-resolution time-basis and compressive sampling. In particular, the high-resolution time-basis is adopted to provide a proper sequence of random sampling instants, and a suitable software procedure, based on compressive sampling approach, is exploited to reconstruct the signal of interest from the acquired samples. Thanks to the proposed strategy, the effective sample rate of the reconstructed signal can be as high as the frequency of the considered time-basis, thus significantly improving the inherent ADC sample rate. Several tests are carried out in simulated and real conditions to assess the performance of the proposed acquisition strategy in terms of reconstruction error. In particular, the results obtained in experimental tests with ADC included in actual 8- and 32-bits microcontrollers highlight the possibility of achieving effective sample rate up to 50 times higher than that of the original ADC sample rate.

  8. New Approach Based on Compressive Sampling for Sample Rate Enhancement in DASs for Low-Cost Sensing Nodes

    PubMed Central

    Bonavolontà, Francesco; D'Apuzzo, Massimo; Liccardo, Annalisa; Vadursi, Michele

    2014-01-01

    The paper deals with the problem of improving the maximum sample rate of analog-to-digital converters (ADCs) included in low cost wireless sensing nodes. To this aim, the authors propose an efficient acquisition strategy based on the combined use of high-resolution time-basis and compressive sampling. In particular, the high-resolution time-basis is adopted to provide a proper sequence of random sampling instants, and a suitable software procedure, based on compressive sampling approach, is exploited to reconstruct the signal of interest from the acquired samples. Thanks to the proposed strategy, the effective sample rate of the reconstructed signal can be as high as the frequency of the considered time-basis, thus significantly improving the inherent ADC sample rate. Several tests are carried out in simulated and real conditions to assess the performance of the proposed acquisition strategy in terms of reconstruction error. In particular, the results obtained in experimental tests with ADC included in actual 8- and 32-bits microcontrollers highlight the possibility of achieving effective sample rate up to 50 times higher than that of the original ADC sample rate. PMID:25313493

  9. Low-mass molecular dynamics simulation: A simple and generic technique to enhance configurational sampling

    SciTech Connect

    Pang, Yuan-Ping

    2014-09-26

    Highlights: • Reducing atomic masses by 10-fold vastly improves sampling in MD simulations. • CLN025 folded in 4 of 10 × 0.5-μs MD simulations when masses were reduced by 10-fold. • CLN025 folded as early as 96.2 ns in 1 of the 4 simulations that captured folding. • CLN025 did not fold in 10 × 0.5-μs MD simulations when standard masses were used. • Low-mass MD simulation is a simple and generic sampling enhancement technique. - Abstract: CLN025 is one of the smallest fast-folding proteins. Until now it has not been reported that CLN025 can autonomously fold to its native conformation in a classical, all-atom, and isothermal–isobaric molecular dynamics (MD) simulation. This article reports the autonomous and repeated folding of CLN025 from a fully extended backbone conformation to its native conformation in explicit solvent in multiple 500-ns MD simulations at 277 K and 1 atm with the first folding event occurring as early as 66.1 ns. These simulations were accomplished by using AMBER forcefield derivatives with atomic masses reduced by 10-fold on Apple Mac Pros. By contrast, no folding event was observed when the simulations were repeated using the original AMBER forcefields of FF12SB and FF14SB. The results demonstrate that low-mass MD simulation is a simple and generic technique to enhance configurational sampling. This technique may propel autonomous folding of a wide range of miniature proteins in classical, all-atom, and isothermal–isobaric MD simulations performed on commodity computers—an important step forward in quantitative biology.

  10. Enhanced Z-LDA for Small Sample Size Training in Brain-Computer Interface Systems

    PubMed Central

    Gao, Dongrui; Zhang, Rui; Liu, Tiejun; Li, Fali; Ma, Teng; Lv, Xulin; Li, Peiyang; Yao, Dezhong; Xu, Peng

    2015-01-01

    Background. Usually the training set of online brain-computer interface (BCI) experiment is small. For the small training set, it lacks enough information to deeply train the classifier, resulting in the poor classification performance during online testing. Methods. In this paper, on the basis of Z-LDA, we further calculate the classification probability of Z-LDA and then use it to select the reliable samples from the testing set to enlarge the training set, aiming to mine the additional information from testing set to adjust the biased classification boundary obtained from the small training set. The proposed approach is an extension of previous Z-LDA and is named enhanced Z-LDA (EZ-LDA). Results. We evaluated the classification performance of LDA, Z-LDA, and EZ-LDA on simulation and real BCI datasets with different sizes of training samples, and classification results showed EZ-LDA achieved the best classification performance. Conclusions. EZ-LDA is promising to deal with the small sample size training problem usually existing in online BCI system. PMID:26550023

  11. Entropic and enthalpic contributions to stereospecific ligand binding from enhanced sampling methods.

    PubMed

    Lai, Balder; Nagy, Gabor; Garate, Jose Antonio; Oostenbrink, Chris

    2014-01-27

    The stereoselective binding of R- and S-propranolol to the metabolic enzyme cytochrome P450 2D6 and its mutant F483A was studied using various computational approaches. Previously reported free-energy differences from Hamiltonian replica exchange simulations, combined with thermodynamic integration, are compared to the one-step perturbation approach, combined with local-elevation enhanced sampling, and an excellent agreement between methods was obtained. Further, the free-energy differences are interpreted in terms of enthalpic and entropic contributions where it is shown that exactly compensating contributions obscure a molecular interpretation of differences in the affinity while various reduced terms allow a more detailed analysis, which agree with heuristic observations on the interactions.

  12. Enhanced Sampling Methods for the Computation of Conformational Kinetics in Macromolecules

    NASA Astrophysics Data System (ADS)

    Grazioli, Gianmarc

    Calculating the kinetics of conformational changes in macromolecules, such as proteins and nucleic acids, is still very much an open problem in theoretical chemistry and computational biophysics. If it were feasible to run large sets of molecular dynamics trajectories that begin in one configuration and terminate when reaching another configuration of interest, calculating kinetics from molecular dynamics simulations would be simple, but in practice, configuration spaces encompassing all possible configurations for even the simplest of macromolecules are far too vast for such a brute force approach. In fact, many problems related to searches of configuration spaces, such as protein structure prediction, are considered to be NP-hard. Two approaches to addressing this problem are to either develop methods for enhanced sampling of trajectories that confine the search to productive trajectories without loss of temporal information, or coarse-grained methodologies that recast the problem in reduced spaces that can be exhaustively searched. This thesis will begin with a description of work carried out in the vein of the second approach, where a Smoluchowski diffusion equation model was developed that accurately reproduces the rate vs. force relationship observed in the mechano-catalytic disulphide bond cleavage observed in thioredoxin-catalyzed reduction of disulphide bonds. Next, three different novel enhanced sampling methods developed in the vein of the first approach will be described, which can be employed either separately or in conjunction with each other to autonomously define a set of energetically relevant subspaces in configuration space, accelerate trajectories between the interfaces dividing the subspaces while preserving the distribution of unassisted transition times between subspaces, and approximate time correlation functions from the kinetic data collected from the transitions between interfaces.

  13. Path Integral Coarse-Graining Replica Exchange Method for Enhanced Sampling.

    PubMed

    Peng, Yuxing; Cao, Zhen; Zhou, Ruhong; Voth, Gregory A

    2014-09-01

    An enhanced conformational space sampling method is developed that utilizes replica exchange molecular dynamics between a set of imaginary time Feynman path integral replicas, each having an increasing degree of contraction (or coarse-graining) of the quasi-particle or "polymer beads" in the evaluation of the isomorphic ring-polymer potential energy terms. However, there is no contraction of beads in the effectively harmonic kinetic energy terms. The final replica in this procedure is the fully contracted one in which the potential energy is evaluated only at the centroid of the beads-and hence it is the classical distribution in the centroid variable-while the initial replica has the full degree (or even a heightened degree, if desired) of quantum delocalization and tunneling in the physical potential by the polymer necklace beads. The exchange between the different ring-polymer ensembles is governed by the Metropolis criteria to guarantee detailed balance. The method is applied successfully to several model systems, ranging from one-dimensional prototype rough energy landscape models having analytical solutions to the more realistic alanine dipeptide. A detailed comparison with the classical temperature-based replica exchange method shows an improved efficiency of this new method in the classical conformational space sampling due to coupling with the fictitious path integral (quantum) replicas. PMID:26588508

  14. An Enhanced Sampling Strategy for High-Dimensional Models: Do We Really Need to Maximize Sample Spread for Efficient Parameter Screening Using the Method of Morris?

    NASA Astrophysics Data System (ADS)

    Khare, Y. P.; Martinez, C. J.; Munoz-Carpena, R.

    2015-12-01

    Improved knowledge about fundamental physical processes, advances in computing power, and a focus on integrated modeling has resulted in complex environmental and water resources models. However, the high-dimensionality of these models adds to overall uncertainty and poses issues when evaluating them for sensitivity, parameter identification, and optimization through rigorous computer experiments. The parameter screening method of elementary effects (EE) offers a perfect blend of useful properties inherited from inexpensive one-at-a time methods and expensive global techniques. Since its development EE has undergone improvements largely on the sampling side with over seven sampling strategies developed during the last decade. These strategies can broadly be classified into trajectory-based and polytope-based schemes. Trajectory-based strategies are more widely used, conceptually simple, and generally use the principle of spreading the sample points in the input hyper-space as widely as possible through oversampling. Due to this their implementation have been found to be impractically time consuming for high-dimensional cases (when # input factors > 50, say). Here, we enhanced the Sampling for Uniformity (SU) (Khare et al., 2015), a trajectory-based EE sampling scheme founded on the dual principle of spread and uniformity. This new scheme - enhanced SU (eSU) is the same as SU except the manner in which intermediate trajectory points are formed. It was tested for sample uniformity, spread, sampling time, and screening efficiency. Experiments were repeated with combinations of the number of trajectories and oversampling size. Preliminary results indicate that eSU is superior to SU by some margin with respect to all four criteria. Interestingly, in the case of eSU oversampling size had no impact on any of the evaluation criteria except linear increament in sampling time. Pending further investigation, this has opened a new avenue to substantially bring down the

  15. Applications of Raman and Surface-Enhanced Raman Scattering to the Analysis of Eukaryotic Samples

    NASA Astrophysics Data System (ADS)

    Schulte, Franziska; Joseph, Virginia; Panne, Ulrich; Kneipp, Janina

    In this chapter, we discuss Raman scattering and surface-enhanced Raman scattering (SERS) for the analysis of cellular samples of plant and animal origin which are several tens to hundreds of microns in size. As was shown in the past several years, the favorable properties of noble metal nanostructures can be used to generate SERS signals in very complex biological samples such as cells, and result in an improved sensitivity and spatial resolution. Pollen grains, the physiological containers that produce the male gametes of seed plants, consist of a few vegetative cells and one generative cell, surrounded by a biopolymer shell. Their chemical composition has been a subject of research of plant physiologists, biochemists [1, 2], and lately even materials scientists [3, 4] for various reasons. In spite of a multitude of applied analytical approaches it could not be elucidated in its entirety yet. Animal cells from cell cultures have been a subject of intense studies due to their application in virtually all fields of biomedical research, ranging from studies of basic biological mechanisms to models for pharmaceutical and diagnostic research. Many aspects of all kinds of cellular processes including signalling, transport, and gene regulation have been elucidated, but many more facts about cell biology will need to be understood in order to efficiently address issues such as cancer, viral infection or genetic disorder. Using the information from spectroscopic methods, in particular combining normal Raman spectroscopy and SERS may open up new perspectives on cellular biochemistry. New sensitive Raman-based tools are being developed for the biochemical analysis of cellular processes [5-8].

  16. Application of enhanced sampling methods to mineral nucleation and growth processes

    NASA Astrophysics Data System (ADS)

    Wallace, A. F.

    2013-12-01

    Mineral nucleation and growth are amongst the most critical processes occurring in natural environments. However, even with high-resolution in situ techniques such as Atomic Force Microscopy (AFM), mechanistic details must typically be inferred from kinetic measurements. Computational methods are potentially powerful tools which may assist in understanding aspects of mineral reactivity, however, in practice standard approaches effectively probe only those processes whose associated activation barriers are comparable to the ambient thermal energy (kBT). Therefore, due to inherent limitations on the simulation accessible timescale, many reactions of geochemical interest continue to challenge existing computational strategies. Enhanced sampling methods increase the rate at which rare events occur in atomistic simulations by accelerating the exploration of the free energy landscape. Here, two such methods are applied to aspects of calcium carbonate nucleation and growth. Replica exchange molecular dynamics (REMD) is used to explore the initial formation of hydrated mineral clusters from solution (Wallace et al., in press, Science). Characterization of the thermodynamic and dynamic properties of the clusters suggests that a dense liquid phase of calcium carbonate forms under certain conditions. Additionally, it is demonstrated that coalescence of the dense liquid products of the liquid-liquid separation results in the formation of a solid phase whose structure is consistent with amorphous calcium carbonate. Results from forward flux sampling (FFS) simulations are also presented. The rate of solvent exchange about calcium ions in solution is rapid enough to be determined directly from a standard molecular dynamics simulation and is used in this instance to calibrate the FFS method. The calibrated procedure is then applied to obtain preliminary rates of ion attachment and detachment from calcite surfaces.

  17. Surface-enhanced Raman scattering detection of silver nanoparticles in environmental and biological samples.

    PubMed

    Guo, Huiyuan; Xing, Baoshan; Hamlet, Leigh C; Chica, Andrea; He, Lili

    2016-06-01

    Growing concerns over the potential release and threat of silver nanoparticles (AgNPs) to environmental and biological systems urge researchers to investigate their fate and behavior. However, current analytical techniques cannot meet the requirements for rapidly, sensitively and reliably probing AgNPs in complex matrices. Surface-enhanced Raman spectroscopy (SERS) has shown great capability for rapid detection of AgNPs based on an indicator molecule that can bind on the AgNP surface. The objective of this study was to exploit SERS to detect AgNPs in environmental and biological samples through optimizing the Raman indicator for SERS. Seven indicator molecules were selected and determined to obtain their SERS signals at optimal concentrations. Among them, 1,2-di(4-pyridyl)ethylene (BPE), crystal violet and ferric dimethyl-dithiocarbamate (ferbam) produced the highest SERS intensities. Further experiments on binding competition between each two of the three candidates showed that ferbam had the highest AgNPs-binding ability. The underlying mechanism lies in the strong binding affinity of ferbam with AgNPs via multiple sulfur atoms. We further validated ferbam to be an effective indicator for SERS detection of as low as 0.1mg/L AgNPs in genuine surface water and 0.57 mg/L in spinach juice. Moreover, limited interference on SERS detection of AgNPs was found from environmentally relevant inorganic ions, organic matter, inorganic particles, as well as biologically relevant components, demonstrating the ferbam-assisted SERS is an effective and sensitive method to detect AgNPs in complex environmental and biological samples.

  18. Silver nanoparticles enhanced flow injection chemiluminescence determination of gatifloxacin in pharmaceutical formulation and spiked urine sample

    NASA Astrophysics Data System (ADS)

    Wabaidur, Saikh mohammad; Alam, Seikh Mafiz; Alothman, Zeid A.; Mohsin, Kazi

    2015-06-01

    Silver nanoparticles have been utilized for the enhanced chemiluminogenic estimation of fluoroquinolone antibiotic gatifloxacin. It has been found that the weak chemiluminescence intensity produced from the reaction between calcein and KMnO4 can further be strengthened by the addition of silver nanoparticles in the presence of gatifloxacin. This phenomenon has been exploited to the quantitative determination of gatifloxacin. Under the optimum experimental conditions, the calibration curves are linear over the range of 8.9 × 10-9-4.0 × 10-6 M, while the limits of detections were found to be 2.6 × 10-9 M with correlation coefficient value (r2) 0.9999. The relative standard deviation calculated from six replicate measurements (1.0 × 10-4 M gatifloxacin) was 1.70%. The method was applied to pharmaceutical preparations and the results obtained were in reasonable agreement with the amount labeled on the formulations. The proposed method was also used for the determination of gatifloxacin in spiked urine samples with satisfactory results. No interference effects from some common excipients used in pharmaceutical preparations have been found.

  19. Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories.

    PubMed

    Zhang, Jun; Yang, Y Isaac; Yang, Lijiang; Gao, Yi Qin

    2015-11-12

    High potential energy barriers and engagement of solvent coordinates set challenges for in silico studies of chemical reactions, and one is quite commonly limited to study reactions along predefined reaction coordinate(s). A systematic protocol, QM/MM MD simulations using enhanced sampling of reactive trajectories (ESoRT), is established to quantitatively study chemical transitions in complex systems. A number of trajectories for Claisen rearrangement in water and toluene were collected and analyzed, respectively. Evidence was found that the bond making and breaking during this reaction are concerted processes in solutions, preferentially through a chairlike configuration. Water plays an important dynamic role that helps stabilize the transition sate, and the dipole-dipole interaction between water and the solute also lowers the transition barrier. The calculated rate coefficient is consistent with the experimental measurement. Compared with water, the reaction pathway in toluene is "narrower" and the reaction rate is slower by almost three orders of magnitude due to the absence of proper interactions to stabilize the transition state. This study suggests that the "in-water" nature of the Claisen rearrangement in aqueous solution influences its thermodynamics, kinetics, as well as dynamics.

  20. DUSTER: dynamic contrast enhance up-sampled temporal resolution analysis method.

    PubMed

    Liberman, Gilad; Louzoun, Yoram; Artzi, Moran; Nadav, Guy; Ewing, James R; Ben Bashat, Dafna

    2016-05-01

    Dynamic contrast enhanced (DCE) MRI using Tofts' model for estimating vascular permeability is widely accepted, yet inter-tissue differences in bolus arrival time (BAT) are generally ignored. In this work we propose a method, incorporating the BAT in the analysis, demonstrating its applicability and advantages in healthy subjects and patients. A method for DCE Up Sampled TEmporal Resolution (DUSTER) analysis is proposed which includes: baseline T1 map using DESPOT1 analyzed with flip angle (FA) correction; preprocessing; raw-signal-to-T1-to-concentration time curves (CTC) conversion; automatic arterial input function (AIF) extraction at temporal super-resolution; model fitting with model selection while incorporating BAT in the pharmacokinetic (PK) model, and fits contrast agent CTC while using exhaustive search in the BAT dimension in super-resolution. The method was applied to simulated data and to human data from 17 healthy subjects, six patients with glioblastoma, and two patients following stroke. BAT values were compared to time-to-peak (TTP) values extracted from dynamic susceptibility contrast imaging. Results show that the method improved the AIF estimation and allowed extraction of the BAT with a resolution of 0.8 s. In simulations, lower mean relative errors were detected for all PK parameters extracted using DUSTER compared to analysis without BAT correction (vp:5% vs. 20%, Ktrans: 9% vs. 24% and Kep: 8% vs. 17%, respectively), and BAT estimates demonstrated high correlations (r = 0.94, p < 1e− 10) with true values. In real data, high correlations between BAT values were detected when extracted from data acquired with high temporal resolution (2 s) and sub-sampled standard resolution data (6 s) (mean r = 0.85,p < 1e− 10). BAT and TTP values were significantly correlated in the different brain regions in healthy subjects (mean r = 0.72,p = < 1e− 3), as were voxel-wise comparisons in patients (mean r = 0.89, p < 1e− 10). In conclusion

  1. Enhanced Method for Molybdenum Separation and Isotopic Determination in Geological Samples and Uranium-Rich Materials

    NASA Astrophysics Data System (ADS)

    Migeon, V.; Bourdon, B.; Pili, E.

    2014-12-01

    Molybdenum (Mo) shares analogous geochemical properties with uranium. Mo ispresent as a minor or a trace element in uranium ores under two main oxidation states: +IVand +VI. Mo has seven stable isotopes (92, 94, 95, 96, 97, 98 and 100). In natural systems,Mo and Mo isotopes were shown to fractionate during redox reactions. Because Morepresents an impurity difficult to separate in the nuclear fuel cycle, it has the potential to beused as an indicator of the origins of uranium concentrates, in the framework of nuclearforensics. This work focuses on developing an enhanced separation method for Mo from auranium-rich matrix (uranium ore, uranium concentrate) in order to analyze the massfractionation induced by processes typical of the nuclear fuel cycle. Purification of Mo forisotope ratio measurements is performed with a three-step separation on ion-exchange resins,with yields between 45 and 82%. Matrix and isobaric interferences (Zr, Ru) were reduced ingeological and uranium standards, such as U/Mo ≤ 2*10-4, Zr/Mo ≤ 1*10-3, Ru/Mo ≤ 6*10-4and Fe/Mo ≤ 4*10-3. Mo isotopic compositions were measured on a Neptune Plus MC-ICPMSequipped with Jet cones, for a concentration of 30 ng/ml. The achieved sensitivity is~1200-1800 V/ppm with interferences below 10 mV and an overall reproducibility of 0.02 ‰on the δ98Mo values. A double spike, with 97Mo and 100Mo, was added to the samples beforethe purification. It allows for correction of the chemical and instrumental mass fractionations,without requiring a quantitative yield. For igneous rocks, δ98Mo values range between -0.55and -0.03 ‰, relative to the NIST-SRM 3134 molybdenum standard. Fractionation amonguranium ore concentrates is higher, with δ98Mo ranging between 0.02 and -2.84 ‰.

  2. Structural and antigenic preservation of plant samples by microwave-enhanced fixation, using dedicated hardware, minimizing heat-related effects.

    PubMed

    Lería, Francisca; Marco, Roberto; Medina, Francisco Javier

    2004-09-01

    We explored the use of microwave technology in fixation with the objective of achieving quicker fixation regimes, lower concentrations of toxic and volatile reagents, and enhanced antigen detection. We used a modified domestic microwave oven (900 W) and a low-power (5 W) microwave bench. The work was done on plant materials. The oven was supplemented with a cooling device, a stirring system, and a record of the sample temperature and the time of effective irradiation. The sample, immersed in a fixative solution of 1% paraformaldehyde (PFA) in PBS, was irradiated for only 10 minutes. The sample temperature did not exceed 37 degrees C. In these mild conditions, the quality of the (ultra)structural preservation of the samples, morphometrically assessed, was at the same level as obtained with the same fixative, using conventional methods. On the contrary, samples fixed in the same conditions without irradiation showed a poor structural preservation. The antigenic preservation of the irradiated samples was excellent, since the labeling levels of two nucleolar proteins, detected by immunogold, were three times higher than in conventionally fixed samples. In the so-called microwave bench, the pathway of microwaves is guided, so that low-power microwaves directly hit the sample and there is no dispersion of energy. Temperature of fixative did not increase after microwave irradiation. Fixation in the bench with either 4% PFA, or 1% PFA, for 20 minutes resulted in structural preservation of samples similar in quality as obtained with conventional fixation and in a similar or better level of antigen preservation. Therefore, controlling temperature and effective irradiation is crucial in order to obtain optimal structural and antigen preservation with microwave-enhanced fixation. The dramatic differences observed between microwave-irradiated samples and samples fixed in the same conditions without irradiation, strongly support the existence of specific effects of microwaves on

  3. Direct DNA amplification from crude clinical samples using a PCR enhancer cocktail and novel mutants of Taq.

    PubMed

    Zhang, Zhian; Kermekchiev, Milko B; Barnes, Wayne M

    2010-03-01

    PCR-based clinical and forensic tests often have low sensitivity or even false-negative results caused by potent PCR inhibitors found in blood and soil. It is widely accepted that purification of target DNA before PCR is necessary for successful amplification. In an attempt to overcome PCR inhibition, enhance PCR amplification, and simplify the PCR protocol, we demonstrate improved PCR-enhancing cocktails containing nonionic detergent, l-carnitine, d-(+)-trehalose, and heparin. These cocktails, in combination with two inhibitor-resistant Taq mutants, OmniTaq and Omni Klentaq, enabled efficient amplification of exogenous, endogenous, and high-GC content DNA targets directly from crude samples containing human plasma, serum, and whole blood without DNA purification. In the presence of these enhancer cocktails, the mutant enzymes were able to tolerate at least 25% plasma, serum, or whole blood and as high as 80% GC content templates in PCR reactions. These enhancer cocktails also improved the performance of the novel Taq mutants in real-time PCR amplification using crude samples, both in SYBR Green fluorescence detection and TaqMan assays. The novel enhancer mixes also facilitated DNA amplification from crude samples with various commercial Taq DNA polymerases.

  4. Influence of high-conductivity buffer composition on field-enhanced sample injection coupled to sweeping in CE.

    PubMed

    Anres, Philippe; Delaunay, Nathalie; Vial, Jérôme; Thormann, Wolfgang; Gareil, Pierre

    2013-02-01

    The aim of this work was to clarify the mechanism taking place in field-enhanced sample injection coupled to sweeping and micellar EKC (FESI-Sweep-MEKC), with the utilization of two acidic high-conductivity buffers (HCBs), phosphoric acid or sodium phosphate buffer, in view of maximizing sensitivity enhancements. Using cationic model compounds in acidic media, a chemometric approach and simulations with SIMUL5 were implemented. Experimental design first enabled to identify the significant factors and their potential interactions. Simulation demonstrates the formation of moving boundaries during sample injection, which originate at the initial sample/HCB and HCB/buffer discontinuities and gradually change the compositions of HCB and BGE. With sodium phosphate buffer, the HCB conductivity increased during the injection, leading to a more efficient preconcentration by staking (about 1.6 times) than with phosphoric acid alone, for which conductivity decreased during injection. For the same injection time at constant voltage, however, a lower amount of analytes was injected with sodium phosphate buffer than with phosphoric acid. Consequently sensitivity enhancements were lower for the whole FESI-Sweep-MEKC process. This is why, in order to maximize sensitivity enhancements, it is proposed to work with sodium phosphate buffer as HCB and to use constant current during sample injection.

  5. Pieces of Other Worlds - Enhance YSS Education and Public Outreach Events with Extraterrestrial Samples

    NASA Astrophysics Data System (ADS)

    Allen, C.

    2010-12-01

    During the Year of the Solar System spacecraft will encounter two comets; orbit the asteroid Vesta, continue to explore Mars with rovers, and launch robotic explorers to the Moon and Mars. We have pieces of all these worlds in our laboratories. Extensive information about these unique materials, as well as actual lunar samples and meteorites, is available for display and education. The Johnson Space Center (JSC) curates NASA's extraterrestrial samples to support research, education, and public outreach. At the current time JSC curates five types of extraterrestrial samples: Moon rocks and soils collected by the Apollo astronauts Meteorites collected on US expeditions to Antarctica (including rocks from the Moon, Mars, and many asteroids including Vesta) “Cosmic dust” (asteroid and comet particles) collected by high-altitude aircraft Solar wind atoms collected by the Genesis spacecraft Comet and interstellar dust particles collected by the Stardust spacecraft These rocks, soils, dust particles, and atoms continue to be studied intensively by scientists around the world. Descriptions of the samples, research results, thousands of photographs, and information on how to request research samples are on the JSC Curation website: http://curator.jsc.nasa.gov/ NASA is eager for scientists and the public to have access to these exciting samples through our various loan procedures. NASA provides a limited number of Moon rock samples for either short-term or long-term displays at museums, planetariums, expositions, and professional events that are open to the public. The JSC Public Affairs Office handles requests for such display samples. Requestors should apply in writing to Mr. Louis Parker, JSC Exhibits Manager. He will advise successful applicants regarding provisions for receipt, display, and return of the samples. All loans will be preceded by a signed loan agreement executed between NASA and the requestor's organization. Email address: louis.a.parker@nasa.gov Sets

  6. Improved sample preparation and counting techniques for enhanced tritium measurement sensitivity

    NASA Astrophysics Data System (ADS)

    Moran, J.; Aalseth, C.; Bailey, V. L.; Mace, E. K.; Overman, C.; Seifert, A.; Wilcox Freeburg, E. D.

    2015-12-01

    Tritium (T) measurements offer insight to a wealth of environmental applications including hydrologic tracking, discerning ocean circulation patterns, and aging ice formations. However, the relatively short half-life of T (12.3 years) limits its effective age dating range. Compounding this limitation is the decrease in atmospheric T content by over two orders of magnitude (from 1000-2000 TU in 1962 to < 10 TU currently) since the cessation of above ground nuclear testing in the 1960's. We are developing sample preparation methods coupled to direct counting of T via ultra-low background proportional counters which, when combined, offer improved T measurement sensitivity (~4.5 mmoles of H2 equivalent) and will help expand the application of T age dating to smaller sample sizes linked to persistent environmental questions despite the limitations above. For instance, this approach can be used to T date ~ 2.2 mmoles of CH4 collected from sample-limited systems including microbial communities, soils, or subsurface aquifers and can be combined with radiocarbon dating to distinguish the methane's formation age from C age in a system. This approach can also expand investigations into soil organic C where the improved sensitivity will permit resolution of soil C into more descriptive fractions and provide direct assessments of the stability of specific classes of organic matter in soils environments. We are employing a multiple step sample preparation system whereby organic samples are first combusted with resulting CO2 and H2O being used as a feedstock to synthesize CH4. This CH4 is mixed with Ar and loaded directly into an ultra-low background proportional counter for measurement of T β decay in a shallow underground laboratory. Analysis of water samples requires only the addition of geologic CO2 feedstock with the sample for methane synthesis. The chemical nature of the preparation techniques enable high sample throughput with only the final measurement requiring T decay

  7. Micro-organism extraction from biological samples using DEP forces enhanced by osmotic shock.

    PubMed

    Bisceglia, Emilie; Cubizolles, Myriam; Mallard, Frédéric; Vinet, Françoise; Français, Olivier; Le Pioufle, Bruno

    2013-03-01

    On the road towards efficient diagnostics of infectious diseases, sample preparation is considered as the key step and remains a real technical challenge. Finding new methods for extraction of micro-organisms from a complex biological sample remains a major challenge prior to pathogen detection and analysis. This paper reports a new technique for capturing and isolating micro-organisms from a complex sample. To achieve the segregation of pathogens and blood cells, dielectrophoretic forces applied to bioparticles previously subjected to an osmotic shock are successfully implemented within a dedicated microfluidic device. Our device involves an electrode array of interdigitated electrodes, coated with an insulating layer, to minimize electrochemical reactions with the electrolyte and to enable long-time use. The electric field intensity inside the device is optimized, considering the insulating layer, for a given frequency bandwidth, enabling the separation of bioparticles by dielectrophoretic forces. Our predictions are based on analytical models, consistent with numerical simulations (using COMSOL Multiphysics) and correlated to experimental results. The method and device have been shown to extract different types of micro-organisms spiked in a blood cell sample. We strongly believe that this new separation approach may open the way towards a simple device for pathogen extraction from blood and more generally complex samples, with potential advantages of genericness and simplicity.

  8. Combined Dynamic Contrast Enhanced Liver MRI and MRA Using Interleaved Variable Density Sampling

    PubMed Central

    Rahimi, Mahdi Salmani; Korosec, Frank R.; Wang, Kang; Holmes, James H.; Motosugi, Utaroh; Bannas, Peter; Reeder, Scott B.

    2014-01-01

    Purpose To develop and evaluate a method for volumetric contrast-enhanced MR imaging of the liver, with high spatial and temporal resolutions, for combined dynamic imaging and MR angiography using a single injection of contrast. Methods An interleaved variable density (IVD) undersampling pattern was implemented in combination with a real-time-triggered, time-resolved, dual-echo 3D spoiled gradient echo sequence. Parallel imaging autocalibration lines were acquired only once during the first time-frame. Imaging was performed in ten subjects with focal nodular hyperplasia (FNH) and compared with their clinical MRI. The angiographic phase of the proposed method was compared to a dedicated MR angiogram acquired during a second injection of contrast. Results A total of 21 FNH, 3 cavernous hemangiomas, and 109 arterial segments were visualized in 10 subjects. The temporally-resolved images depicted the characteristic arterial enhancement pattern of the lesions with a 4 s update rate. Images were graded as having significantly higher quality compared to the clinical MRI. Angiograms produced from the IVD method provided non-inferior diagnostic assessment compared to the dedicated MRA. Conclusion Using an undersampled IVD imaging method, we have demonstrated the feasibility of obtaining high spatial and temporal resolution dynamic contrast-enhanced imaging and simultaneous MRA of the liver. PMID:24639130

  9. Enhancing sample preparation capabilities for accelerator mass spectrometry radiocarbon and radiocalcium studies

    SciTech Connect

    Taylor, R E

    1991-08-20

    With support provided by the LLNL Accelerator Mass Spectrometry Laboratory, the UCR Radiocarbon Laboratory continued its studies involving sample pretreatment and target preparation for both AMS radiocarbon ({sup 14}C) and radiocalcium ({sup 41}Ca) involving applications to archaeologically -- and paleoanthropologically- related samples. With regard to AMS {sup 14}C-related studies, we have extended the development of a series of procedures which have, as their initial goal, the capability to combust several hundred microgram amounts of a chemically-pretreated organic sample and convert the resultant CO{sub 2} to graphitic carbon which will consistently yield relatively high {sup 13}C{sup {minus}} ion currents and blanks which will yield, on a consistent basis, {sup 14}C count rates at or below 0.20% modern, giving an 2 sigma age limit of >50,000 yr BP.

  10. Using Past Data to Enhance Small Sample DIF Estimation: A Bayesian Approach

    ERIC Educational Resources Information Center

    Sinharay, Sandip; Dorans, Neil J.; Grant, Mary C.; Blew, Edwin O.

    2009-01-01

    Test administrators often face the challenge of detecting differential item functioning (DIF) with samples of size smaller than that recommended by experts. A Bayesian approach can incorporate, in the form of a prior distribution, existing information on the inference problem at hand, which yields more stable estimation, especially for small…

  11. Ultra-deep imaging of turbid samples by enhanced photon harvesting

    NASA Astrophysics Data System (ADS)

    Crosignani, Viera; Dvornikov, Alexander; Gratton, Enrico

    2013-02-01

    We constructed an advanced detection system for two-photon fluorescence microscopy that allows us to image in biological tissue and tissue phantoms up to the depth of a few mm with micron resolution. The innovation lies in the detection system which is much more sensitive to low level fluorescence signals than the fluorescence detection configuration used in conventional two-photon fluorescence microscopes. A wide area photocathode photomultiplier tube (PMT) was used to detect fluorescence photons directly from a wide (1 inch diameter) area of the turbid sample, as opposed to the photon collection by the microscope objective which can only collect light from a relatively small area of the sample. The optical path between the sample and the photocathode is refractive index matched to curtail losses at the boundaries due to reflections. The system has been successfully employed in the imaging of tissue phantoms simulating brain optical properties and in biological tissues, such as murine small intestine, colon, tumors, and other samples. The system has in-depth fluorescence lifetime imaging (FLIM) capabilities and is also highly suitable for SHG signal detection, such as collagen fibers and muscles, due to the intrinsically forward-directed propagation of SHG photons.

  12. Ionic liquids in enhancing the sensitivity of capillary electrophoresis: Off-line and on-line sample preconcentration techniques.

    PubMed

    El-Hady, Deia Abd; Albishri, Hassan M; Wätzig, Hermann

    2016-07-01

    The popularity of ionic liquids (ILs) has grown during the last decade in enhancing the sensitivity of CE through different off-line or on-line sample preconcentration techniques. Water-insoluble ILs were commonly used in IL-based liquid phase microextraction, in all its variants, as off-line sample preconcentration techniques combined with CE. Water-soluble ILs were rarely used in IL-based aqueous two phase system (IL-ATPS) as an off-line sample preconcentration approach combined with CE in spite of IL-ATPS predicted features such as more compatibility with CE sample injection due to its relatively low viscosity and more compatibility with CE running buffers avoid, in some cases, anion exchange precipitation. Therefore, the attentions for the key parameters affecting the performance of IL-ATPSs were generally presented and discussed. On-line CE preconcentration techniques containing IL-based surfactants at nonmicellar or micellar concentrations have become another interesting area to improve CE sensitivity and it is likely to remain a focus of the field in the endeavor because of their numerous to create rapid, simple and sensitive systems. In this article, significant contributions of ILs in enhancing the sensitivity of CE are described, and a specific overview of the relevant examples of their applications is also given. PMID:27067143

  13. Determination of 2-methoxyestradiol in serum samples and pharmaceutical preparations by silver nanoparticles-enhanced chemiluminescence.

    PubMed

    Zhang, Min; Xiao, Xiangqin; Zeng, Wenyuan; Zeng, Xiaoying; Yao, Hanchun

    2014-03-01

    Silver nanoparticles (AgNPs) exhibited better chemiluminescence (CL) catalysis activity and smaller nanoparticles have stronger catalysis ability in luminol-K3Fe(CN)6 system among the synthesized AgNPs of different size. 10±2 nm nanoparticles was used as catalysts to enhance the reaction sensitivity. It was found that the CL intensity of AgNPs-luminol-K3Fe(CN)6 was strongly inhibited in the presence of 2-methoxyestradiol (2-ME) and the relative CL intensity was in linear correlation with the concentration of 2-ME. Thus, the silver nanoparticles-enhanced CL method for the determination of 2-ME was developed. The proposed method has a detection limit (3 Sb/K) of 5.0×10(-10) mol L(-1) with a relative standard deviation of 0.75% for 5.0×10(-8) mol L(-1) 2-ME. The method was successfully applied for determination of 2-ME in human serum and pharmaceutical preparations. The possible CL reaction mechanism was also discussed briefly. Oxygen radicals played an important role in the catalytic process.

  14. AMORE-HX: a multidimensional optimization of radial enhanced NMR-sampled hydrogen exchange.

    PubMed

    Gledhill, John M; Walters, Benjamin T; Wand, A Joshua

    2009-09-01

    The Cartesian sampled three-dimensional HNCO experiment is inherently limited in time resolution and sensitivity for the real time measurement of protein hydrogen exchange. This is largely overcome by use of the radial HNCO experiment that employs the use of optimized sampling angles. The significant practical limitation presented by use of three-dimensional data is the large data storage and processing requirements necessary and is largely overcome by taking advantage of the inherent capabilities of the 2D-FT to process selective frequency space without artifact or limitation. Decomposition of angle spectra into positive and negative ridge components provides increased resolution and allows statistical averaging of intensity and therefore increased precision. Strategies for averaging ridge cross sections within and between angle spectra are developed to allow further statistical approaches for increasing the precision of measured hydrogen occupancy. Intensity artifacts potentially introduced by over-pulsing are effectively eliminated by use of the BEST approach. PMID:19633974

  15. Enhanced Stability of Blood Matrices Using a Dried Sample Spot Assay to Measure Human Butyrylcholinesterase Activity and Nerve Agent Adducts

    PubMed Central

    Perez, Jonas W.; Pantazides, Brooke G.; Watson, Caroline M.; Thomas, Jerry D.; Blake, Thomas A.; Johnson, Rudolph C.

    2015-01-01

    Dried matrix spots are safer to handle and easier to store than wet blood products, but factors such as intra-spot variability and unknown sample volumes have limited their appeal as a sampling format for quantitative analyses. In this work, we introduce a dried spot activity assay for quantifying butyrylcholinesterase (BChE) specific activity which is BChE activity normalized to the total protein content in a sample spot. The method was demonstrated with blood, serum, and plasma spotted on specimen collection devices (cards) which were extracted to measure total protein and BChE activity using a modified Ellman assay. Activity recovered from dried spots was ∼80% of the initial spotted activity for blood and >90% for plasma and serum. Measuring total protein in the sample and calculating specific activity substantially improved quantification and reduced intra-spot variability. Analyte stability of nerve agent adducts was also evaluated, and the results obtained via BChE-specific activity measurements were confirmed by quantification of BChE adducts using a previously established LC-MS/MS method. The spotted samples were up to 10-times more resistant to degradation compared to unspotted control samples when measuring BChE inhibition by the nerve agents sarin and VX. Using this method, both BChE activity and adducts can be accurately measured from a dried sample spot. This use of a dried sample spot with normalization to total protein is robust, demonstrates decreased intra-spot variability without the need to control for initial sample volume, and enhances analyte stability. PMID:25955132

  16. Sampling of prenatal and postnatal offspring from individual rat dams enhances animal use without compromising development

    NASA Technical Reports Server (NTRS)

    Alberts, J. R.; Burden, H. W.; Hawes, N.; Ronca, A. E.

    1996-01-01

    To assess prenatal and postnatal developmental status in the offspring of a group of animals, it is typical to examine fetuses from some of the dams as well as infants born to the remaining dams. Statistical limitations often arise, particularly when the animals are rare or especially precious, because all offspring of the dam represent only a single statistical observation; littermates are not independent observations (biologically or statistically). We describe a study in which pregnant laboratory rats were laparotomized on day 7 of gestation (GD7) to ascertain the number and distribution of uterine implantation sites and were subjected to a simulated experience on a 10-day space shuttle flight. After the simulated landing on GD18, rats were unilaterally hysterectomized, thus providing a sample of fetuses from 10 independent uteruses, followed by successful vaginal delivery on GD22, yielding postnatal samples from 10 uteruses. A broad profile of maternal and offspring morphologic and physiologic measures indicated that these novel sampling procedures did not compromise maternal well-being and maintained normal offspring development and function. Measures included maternal organ weights and hormone concentrations, offspring body size, growth, organ weights, sexual differentiation, and catecholamine concentrations.

  17. Classification of bacterial samples as negative or positive for a UTI and antibiogram using surface enhanced Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Kastanos, Evdokia; Hadjigeorgiou, Katerina; Kyriakides, Alexandros; Pitris, Costas

    2011-03-01

    Urinary tract infection (UTI) diagnosis requires an overnight culture to identify a sample as positive or negative for a UTI. Additional cultures are required to identify the pathogen responsible for the infection and to test its sensitivity to antibiotics. A rise in ineffective treatments, chronic infections, rising health care costs and antibiotic resistance are some of the consequences of this prolonged waiting period of UTI diagnosis. In this work, Surface Enhanced Raman Spectroscopy (SERS) is used for classifying bacterial samples as positive or negative for UTI. SERS spectra of serial dilutions of E.coli bacteria, isolated from a urine culture, were classified as positive (105-108 cells/ml) or negative (103-104 cells/ml) for UTI after mixing samples with gold nanoparticles. A leave-one-out cross validation was performed using the first two principal components resulting in the correct classification of 82% of all samples. Sensitivity of classification was 88% and specificity was 67%. Antibiotic sensitivity testing was also done using SERS spectra of various species of gram negative bacteria collected 4 hours after exposure to antibiotics. Spectral analysis revealed clear separation between the spectra of samples exposed to ciprofloxacin (sensitive) and amoxicillin (resistant). This study can become the basis for identifying urine samples as positive or negative for a UTI and determining their antibiogram without requiring an overnight culture.

  18. Examination of pterins using surface-enhanced Raman spectroscopy using low-volume samples

    NASA Astrophysics Data System (ADS)

    Mehigan, Sam; Smyth, Ciarán.; McCabe, Eithne M.

    2013-02-01

    Raman spectroscopy is a very useful tool for analysing compounds, however its ability to detect low concentrations of a substance are very limited. Surface Enhanced Raman Spectroscopy (SERS) overcomes that issue and is reported to have achieved single molecule detection. Its main shortcoming is the reproducibility of SERS spectra. The variation in signal strength prevents SERS from being usable as a quantitative analytical technique. This variability have been investigated in this work and key factors in improving reproducibility have been considered. Pterins, such as xanthopterin are studied in this paper. Pterins are a group of biological compounds that are found in nature in colour pigmentation and in mammal's metabolic pathways. Moreover, they have been identified in abnormal concentrations in the urine of people suffering from certain kinds of cancer. The potential for pterin's use as a cancer diagnostic points to the importance of SERS detection for pterins.

  19. An enhanced compost temperature sampling framework: case study of a covered aerated static pile.

    PubMed

    Isobaev, Pulat; Bouferguene, Ahmed; Wichuk, Kristine M; McCartney, Daryl

    2014-07-01

    Spatial and temporal temperature variations exist in a compost pile. This study demonstrates that systematic temperature sampling of a compost pile, as is widely done, tends to underestimate these variations, which in turn may lead to false conclusions about the sanitary condition of the final product. To address these variations, a proper scheme of temperature sampling needs to be used. A comparison of the results from 21 temperature data loggers randomly introduced into a compost pile with those from 20 systematically introduced data loggers showed that the mean, maximum and minimum temperatures in both methods were very similar in their magnitudes. Overall, greater temperature variation was captured using the random method. In addition, 95% of the probes introduced systematically had attained thermophilic sanitation conditions (≥ 55°C for three consecutive days), as compared to 76% from the group that were randomly introduced. Furthermore, it was found that, from a statistical standpoint, readings from at least 47 randomly introduced temperature loggers are necessary to capture the observed temperature variation. Lastly, the turning of the compost pile was found to increase the chance that any random particle would be exposed to the temperature ≥ 55°C for three consecutive days. One turning was done during the study, and it increased the probability from 76% to nearly 85%. Using the Markov chain model it was calculated that if five turnings had been implemented on the evaluated technology, the likelihood that every particle would experience the required time-temperature condition would be 98%. PMID:24767412

  20. Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation.

    PubMed

    Iida, Shinji; Nakamura, Haruki; Higo, Junichi

    2016-06-15

    We introduce various, recently developed, generalized ensemble methods, which are useful to sample various molecular configurations emerging in the process of protein-protein or protein-ligand binding. The methods introduced here are those that have been or will be applied to biomolecular binding, where the biomolecules are treated as flexible molecules expressed by an all-atom model in an explicit solvent. Sampling produces an ensemble of conformations (snapshots) that are thermodynamically probable at room temperature. Then, projection of those conformations to an abstract low-dimensional space generates a free-energy landscape. As an example, we show a landscape of homo-dimer formation of an endothelin-1-like molecule computed using a generalized ensemble method. The lowest free-energy cluster at room temperature coincided precisely with the experimentally determined complex structure. Two minor clusters were also found in the landscape, which were largely different from the native complex form. Although those clusters were isolated at room temperature, with rising temperature a pathway emerged linking the lowest and second-lowest free-energy clusters, and a further temperature increment connected all the clusters. This exemplifies that the generalized ensemble method is a powerful tool for computing the free-energy landscape, by which one can discuss the thermodynamic stability of clusters and the temperature dependence of the cluster networks.

  1. Enhanced sample multiplexing for nitrotyrosine-modified proteins using combined precursor isotopic labeling and isobaric tagging.

    PubMed

    Robinson, Renã A S; Evans, Adam R

    2012-06-01

    Current strategies for identification and quantification of 3-nitrotyrosine (3NT) post-translationally modified proteins (PTM) generally rely on biotin/avidin enrichment. Quantitative approaches have been demonstrated which employ isotopic labeling or isobaric tagging in order to quantify differences in the relative abundances of 3NT-modified proteins in two or potentially eight samples, respectively. Here, we present a novel strategy which uses combined precursor isotopic labeling and isobaric tagging (cPILOT) to increase the multiplexing capability of quantifying 3NT-modified proteins to 12 or 16 samples using commercially available tandem mass tags (TMT) or isobaric tags for relative and absolute quantification (iTRAQ), respectively. This strategy employs "light" and "heavy" labeled acetyl groups to block both N-termini and lysine residues of tryptic peptides. Next, 3NT is reduced to 3-aminotyrosine (3AT) using sodium dithionite followed by derivatization of light and heavy labeled 3AT-peptides with either TMT or iTRAQ multiplex reagents. We demonstrate the proof-of-principle utility of cPILOT with in vitro nitrated bovine serum albumin (BSA) and mouse splenic proteins using TMT(0), TMT(6), and iTRAQ(8) reagents and discuss limitations of the strategy. PMID:22509719

  2. Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation

    PubMed Central

    Iida, Shinji; Nakamura, Haruki; Higo, Junichi

    2016-01-01

    We introduce various, recently developed, generalized ensemble methods, which are useful to sample various molecular configurations emerging in the process of protein–protein or protein–ligand binding. The methods introduced here are those that have been or will be applied to biomolecular binding, where the biomolecules are treated as flexible molecules expressed by an all-atom model in an explicit solvent. Sampling produces an ensemble of conformations (snapshots) that are thermodynamically probable at room temperature. Then, projection of those conformations to an abstract low-dimensional space generates a free-energy landscape. As an example, we show a landscape of homo-dimer formation of an endothelin-1-like molecule computed using a generalized ensemble method. The lowest free-energy cluster at room temperature coincided precisely with the experimentally determined complex structure. Two minor clusters were also found in the landscape, which were largely different from the native complex form. Although those clusters were isolated at room temperature, with rising temperature a pathway emerged linking the lowest and second-lowest free-energy clusters, and a further temperature increment connected all the clusters. This exemplifies that the generalized ensemble method is a powerful tool for computing the free-energy landscape, by which one can discuss the thermodynamic stability of clusters and the temperature dependence of the cluster networks. PMID:27288028

  3. Torsion angle dynamics: reduced variable conformational sampling enhances crystallographic structure refinement.

    PubMed

    Rice, L M; Brünger, A T

    1994-08-01

    A reduced variable conformational sampling strategy for macromolecules based on molecular dynamics in torsion angle space is evaluated using crystallographic refinement as a prototypical search problem. Bae and Haug's algorithm for constrained dynamics [Bae, D.S., Haug, E.J. A recursive formulation for constrained mechanical system dynamics. Mech. Struct. Mach. 15:359-382, 1987], originally developed for robotics, was used. Their formulation solves the equations of motion exactly for arbitrary holonomic constraints, and hence differs from commonly used approximation algorithms. It uses gradients calculated in Cartesian coordinates, and thus also differs from internal coordinate formulations. Molecular dynamics can be carried out at significantly higher temperatures due to the elimination of the high frequency bond and angle vibrations. The sampling strategy presented here combines high temperature torsion angle dynamics with repeated trajectories using different initial velocities. The best solutions can be identified by the free R value, or the R value if experimental phase information is appropriately included in the refinement. Applications to crystallographic refinement. Applications to crystallographic refinement show a significantly increased radius of convergence over conventional techniques. For a test system with diffraction data to 2 A resolution, slow-cooling protocols fail to converge if the backbone atom root mean square (rms) coordinate deviation from the crystal structure is greater than 1.25 A, but torsion angle refinement can correct backbone atom rms coordinate deviations up to approximately 1.7 A.

  4. Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation.

    PubMed

    Iida, Shinji; Nakamura, Haruki; Higo, Junichi

    2016-06-15

    We introduce various, recently developed, generalized ensemble methods, which are useful to sample various molecular configurations emerging in the process of protein-protein or protein-ligand binding. The methods introduced here are those that have been or will be applied to biomolecular binding, where the biomolecules are treated as flexible molecules expressed by an all-atom model in an explicit solvent. Sampling produces an ensemble of conformations (snapshots) that are thermodynamically probable at room temperature. Then, projection of those conformations to an abstract low-dimensional space generates a free-energy landscape. As an example, we show a landscape of homo-dimer formation of an endothelin-1-like molecule computed using a generalized ensemble method. The lowest free-energy cluster at room temperature coincided precisely with the experimentally determined complex structure. Two minor clusters were also found in the landscape, which were largely different from the native complex form. Although those clusters were isolated at room temperature, with rising temperature a pathway emerged linking the lowest and second-lowest free-energy clusters, and a further temperature increment connected all the clusters. This exemplifies that the generalized ensemble method is a powerful tool for computing the free-energy landscape, by which one can discuss the thermodynamic stability of clusters and the temperature dependence of the cluster networks. PMID:27288028

  5. The precision of pharmacokinetic parameters in dynamic contrast-enhanced magnetic resonance imaging: the effect of sampling frequency and duration

    NASA Astrophysics Data System (ADS)

    Aerts, Hugo J. W. L.; Jaspers, K.; Backes, Walter H.

    2011-09-01

    Dynamic contrast-enhanced magnetic resonance imaging is increasingly applied for tumour diagnosis and early evaluation of therapeutic responses over time. However, the reliability of pharmacokinetic parameters derived from DCE-MRI is highly dependent on the experimental settings. In this study, the effect of sampling frequency (fs) and duration on the precision of pharmacokinetic parameters was evaluated based on system identification theory and computer simulations. Both theoretical analysis and simulations showed that a higher value of the pharmacokinetic parameter Ktrans required an increasing sampling frequency. For instance, for similar results, a relatively low fs of 0.2 Hz was sufficient for a low Ktrans of 0.1 min-1, compared to a high fs of 3 Hz for a high Ktrans of 0.5 min-1. For the parameter ve, a decreasing value required a higher sampling frequency. A sampling frequency below 0.1 Hz systematically resulted in imprecise estimates for all parameters. For the Ktrans and ve parameters, the sampling duration should be above 2 min, but durations of more than 7 min do not further improve parameter estimates.

  6. Sampling Error: Impact on the Quantitative Analysis of Nanoparticle-Based Surface-Enhanced Raman Scattering Immunoassays.

    PubMed

    Crawford, Alexis C; Skuratovsky, Aleksander; Porter, Marc D

    2016-06-21

    This paper examines the impact of the sampling error caused by the small size of the focused laser spot when using surface-enhanced Raman scattering (SERS) as a quantitative readout tool to analyze a sandwich immunoassay. The assay consists of a thin-film gold substrate that is modified with a layer of capture monoclonal antibodies (mAbs) and extrinsic Raman labels (ERLs) that consist of gold nanoparticle cores (60 nm diameter) coated with a monolayer of a Raman reporter molecule and a layer of human IgG mAbs to tag the captured antigen. The contribution of sampling error to the measurement is delineated first by constructing and analyzing an antigenic random accumulation model; this is followed by an experimental study of the analysis of an assay substrate using two different laser spot sizes. Both sets of findings indicate that the analysis with a small laser spot can lead to a sampling error (i.e., undersampling) much like that found when the size of a measured soil sample fails to accurately match that of a larger, more representative sample. That is, the smaller the laser spot size, the larger probable deviation in the accuracy of the measurement and the greater the imprecision of the measurement. Possible implications of these results with respect to the general application of SERS for quantitative measurements are also briefly discussed. PMID:27219507

  7. Interleaved variable density sampling with a constrained parallel imaging reconstruction for dynamic contrast-enhanced MR angiography.

    PubMed

    Wang, Kang; Busse, Reed F; Holmes, James H; Beatty, Philip J; Brittain, Jean H; Francois, Christopher J; Reeder, Scott B; Du, Jiang; Korosec, Frank R

    2011-08-01

    For MR applications such as contrast-enhanced MR angiography, it is desirable to achieve simultaneously high spatial and temporal resolution. The current clinical standard uses view-sharing methods combined with parallel imaging; however, this approach still provides limited spatial and temporal resolution. To improve on the clinical standard, we present an interleaved variable density (IVD) sampling method that pseudorandomly undersamples each individual frame of a 3D Cartesian ky-kz plane combined with parallel imaging acceleration. From this dataset, time-resolved images are reconstructed with a method that combines parallel imaging with a multiplicative constraint. Total acceleration factors on the order of 20 are achieved for contrast-enhanced MR angiography of the lower extremities, and improvements in temporal fidelity of the depiction of the contrast bolus passage are demonstrated relative to the clinical standard.

  8. Enhanced Molecular Dynamics Sampling Methods Applied to Existing and Novel Polypeptide Systems

    NASA Astrophysics Data System (ADS)

    Hayre, Natha Robert

    This thesis consists of the application of certain advanced physics-based theoretical-computational approaches to the exploration of the structure and dynamics of polypeptides --- the key chemical constituents of proteins, a class of biologically essential molecules. Improved statistical-mechanical sampling methods and advanced computational methods were combined in studies that informed both theory and experiment. Part of this work was devoted to the development of improved sampling capabilities simultaneously on three fronts: (1) the ubiquitous use of generalized-ensemble techniques to broadly explore molecular energy landscapes, (2) efficient approximative multi-scale integration techniques for molecular dynamics, and (3) the deployment of novel parallel computational facilities capable of order-of-magnitude speed-ups in the evaluation of biomolecular models. Herein, biophysical experiments inform molecular-mechanical theory and vice versa. In one study, the known folding stability of a small beta-hairpin peptide was compared with the same from simulations using variant model parameterizations, while the more accurate of these latter enabled insight into mechanisms for stability. In another study, the observed stability of a native left-handed beta-helical peptide segment verified the accuracy of two refined parameter sets, while further simulations on diverse sequences suggest mechanisms for the folding behavior of the beta-helical motif. Furthermore, the sequences that were chosen for this latter study open up exciting avenues for more systematic theoretical study of homopolypeptides such as polyglutamine; variants of prion protein and other amyloidogenic sequences; and heuristically-designed super-stable beta-helical sequences. Indeed, the relative stability analysis presented herein is general to any structure or sequence, and could be extended to the study of other rare or novel folding motifs beyond the beta-helix.

  9. Electro-enhanced hollow fiber membrane liquid phase microextraction of Cr(VI) oxoanions in drinking water samples.

    PubMed

    Chanthasakda, Nattaporn; Nitiyanontakit, Sira; Varanusupakul, Pakorn

    2016-02-01

    Hollow fiber membrane liquid phase microextraction (HF-LPME) of metal oxoanions was studied using an ionic carrier enhanced by the application of an electric field (electro-enhanced HF-LPME). The Cr(VI) oxoanion was used as the model. The transportation of Cr(VI) oxoanions across the supported liquid membrane (SLM) was explored via the ion-exchange process and electrokinetic migration. The type of SLM, type of acceptor solution, extraction time, electric potential, and stirring rate were investigated and optimized using MilliQ water. Electro-enhanced HF-LPME provided a much higher enrichment factor compared to conventional HF-LPME (no electric potential) for the same extraction time. A mixture of an anion exchange carrier (methyltrialkyl-ammonium chloride, Aliquat 336) in the SLM facilitated the transportation of Cr(VI) oxoanions. The SLM that gave the best performance was 1-heptanol mixed with 5% Aliquat 336 with 1M NaOH as the acceptor. Linearity was obtained in the working range of 3-15 µg L(-1) Cr(VI) (R(2)>0.99) at 30 V with a 5 min extraction time. The limit of detection was below 5 µg L(-1). The relative standard deviation was less than 12%. The method was applied to drinking water samples. The recoveries of spiked Cr(VI) in drinking water samples were in the range of 96-101% based on the matrix-matched calibration curves. The method was limited to samples containing low levels of ions due to the occurrence of electrolysis. The type of SLM, particularly regarding its resistance, should be tuned to control this problematic phenomenon. PMID:26653501

  10. A comb-sampling method for enhanced mass analysis in linear electrostatic ion traps

    SciTech Connect

    Greenwood, J. B.; Kelly, O.; Calvert, C. R.; Duffy, M. J.; King, R. B.; Belshaw, L.; Graham, L.; Alexander, J. D.; Williams, I. D.; Bryan, W. A.; Turcu, I. C. E.; Cacho, C. M.; Springate, E.

    2011-04-15

    In this paper an algorithm for extracting spectral information from signals containing a series of narrow periodic impulses is presented. Such signals can typically be acquired by pickup detectors from the image-charge of ion bunches oscillating in a linear electrostatic ion trap, where frequency analysis provides a scheme for high-resolution mass spectrometry. To provide an improved technique for such frequency analysis, we introduce the CHIMERA algorithm (Comb-sampling for High-resolution IMpulse-train frequency ExtRAaction). This algorithm utilizes a comb function to generate frequency coefficients, rather than using sinusoids via a Fourier transform, since the comb provides a superior match to the data. This new technique is developed theoretically, applied to synthetic data, and then used to perform high resolution mass spectrometry on real data from an ion trap. If the ions are generated at a localized point in time and space, and the data is simultaneously acquired with multiple pickup rings, the method is shown to be a significant improvement on Fourier analysis. The mass spectra generated typically have an order of magnitude higher resolution compared with that obtained from fundamental Fourier frequencies, and are absent of large contributions from harmonic frequency components.

  11. Ultrasound-assisted surfactant-enhanced emulsification microextraction for the determination of Cd and Ni in tea and water samples.

    PubMed

    Ezoddin, Maryam; Taghizadeh, Tayebeh; Majidi, Behrooz

    2014-01-01

    A microextraction method based on ultrasound-assisted surfactant-enhanced emulsification using solidification of a floating organic droplet (UASEME-SFO) was evaluated for simultaneous determination of Cd and Ni in water and tea samples followed by flame atomic absorption spectrometry. In the UASEME-SFO technique, Triton X-100 was used as an emulsifier to accelerate the emulsification of the extraction solvent into a sample solution and hasten the mass transfer of the analytes. Analytes form a complex and are extracted into 1-dodecanol which was used as an extraction solvent. Some parameters such as type and volume of the extraction solvent, the type and concentration of the surfactant, ultrasound extraction time, reagent concentration, centrifuge conditions and salt concentration were investigated. Under optimum conditions, calibration curves were linear in the range of 0.3-100 and 0.6-180 microg L(-1) with detection limits of 0.11 and 0.20 microg L(-1) for Cd and Ni, respectively. The accuracy of the method was confirmed by parallel analyses using the certified reference material of water and tea samples. The recoveries of the analytes in tea leaves, tea infusions and water samples were in the range of 96.5-105.1%. PMID:25145194

  12. Surface-enhanced Raman spectroscopy analysis of house paint and wallpaper samples from an 18th century historic property.

    PubMed

    Harroun, S G; Bergman, J; Jablonski, E; Brosseau, C L

    2011-09-01

    Conservation efforts for heritage buildings require a substantial knowledge of the chemical makeup of materials that were used throughout the lifetime of the property. In particular, conservators are often concerned with the identification of colorants used in both interior and exterior wall treatments (paint, wallpaper, etc.) in order to gain perspective into how the building may have appeared during a certain time period in its existence. Ideally, such an analysis requires a technique that provides molecular level information as to the identity of the colorant as well as other sample components (binders, fillers, etc.), which is useful for dating purposes. In addition, the technique should be easily applied to paint layer samples which can be extremely thin and fragile. Herein we report the surface-enhanced Raman spectroscopy (SERS) analysis of paint and wallpaper samples taken from exterior and interior surfaces of a historic building. Several pigments were identified in the samples, which ranged from early inorganic pigments (lead white, barium sulfate, calcium carbonate, anhydrous chromium(III) oxide) which have been used in house paints for centuries, to a more modern pigment (phthalocyanine blue), developed in the middle of the 20th century. This analysis highlights the usefulness of SERS in such a conservation effort, and demonstrates for the first time pigment identification in house paints and wallpaper using SERS, which has far-reaching implications not only in the field of conservation, but also in forensics, industrial process control, and environmental health and safety. PMID:21267481

  13. Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method.

    PubMed

    Lu, Qing; Kim, Jaegil; Straub, John E

    2013-03-14

    The generalized Replica Exchange Method (gREM) is extended into the isobaric-isothermal ensemble, and applied to simulate a vapor-liquid phase transition in Lennard-Jones fluids. Merging an optimally designed generalized ensemble sampling with replica exchange, gREM is particularly well suited for the effective simulation of first-order phase transitions characterized by "backbending" in the statistical temperature. While the metastable and unstable states in the vicinity of the first-order phase transition are masked by the enthalpy gap in temperature replica exchange method simulations, they are transformed into stable states through the parameterized effective sampling weights in gREM simulations, and join vapor and liquid phases with a succession of unimodal enthalpy distributions. The enhanced sampling across metastable and unstable states is achieved without the need to identify a "good" order parameter for biased sampling. We performed gREM simulations at various pressures below and near the critical pressure to examine the change in behavior of the vapor-liquid phase transition at different pressures. We observed a crossover from the first-order phase transition at low pressure, characterized by the backbending in the statistical temperature and the "kink" in the Gibbs free energy, to a continuous second-order phase transition near the critical pressure. The controlling mechanisms of nucleation and continuous phase transition are evident and the coexistence properties and phase diagram are found in agreement with literature results.

  14. Surface-enhanced Raman spectroscopy analysis of house paint and wallpaper samples from an 18th century historic property.

    PubMed

    Harroun, S G; Bergman, J; Jablonski, E; Brosseau, C L

    2011-09-01

    Conservation efforts for heritage buildings require a substantial knowledge of the chemical makeup of materials that were used throughout the lifetime of the property. In particular, conservators are often concerned with the identification of colorants used in both interior and exterior wall treatments (paint, wallpaper, etc.) in order to gain perspective into how the building may have appeared during a certain time period in its existence. Ideally, such an analysis requires a technique that provides molecular level information as to the identity of the colorant as well as other sample components (binders, fillers, etc.), which is useful for dating purposes. In addition, the technique should be easily applied to paint layer samples which can be extremely thin and fragile. Herein we report the surface-enhanced Raman spectroscopy (SERS) analysis of paint and wallpaper samples taken from exterior and interior surfaces of a historic building. Several pigments were identified in the samples, which ranged from early inorganic pigments (lead white, barium sulfate, calcium carbonate, anhydrous chromium(III) oxide) which have been used in house paints for centuries, to a more modern pigment (phthalocyanine blue), developed in the middle of the 20th century. This analysis highlights the usefulness of SERS in such a conservation effort, and demonstrates for the first time pigment identification in house paints and wallpaper using SERS, which has far-reaching implications not only in the field of conservation, but also in forensics, industrial process control, and environmental health and safety.

  15. Rapid Detection of Polychlorinated Biphenyls at Trace Levels in Real Environmental Samples by Surface-Enhanced Raman Scattering

    PubMed Central

    Zhou, Qin; Zhang, Xian; Huang, Yu; Li, Zhengcao; Zhang, Zhengjun

    2011-01-01

    Detection of trace levels of persistent pollutants in the environment is difficult but significant. Organic pollutant homologues, due to their similar physical and chemical properties, are even more difficult to distinguish, especially in trace amounts. We report here a simple method to detect polychlorinated biphenyls (PCBs) in soil and distilled spirit samples by the surface-enhanced Raman scattering technique using Ag nanorod arrays as substrates. By this method, polychlorinated biphenyls can be detected to a concentration of 5 μg/g in dry soil samples within 1 minute. Furthermore, based on simulation and understanding of the Raman characteristics of PCBs, we recognized homologues of tetrachlorobiphenyl by using the surface-enhance Raman scattering method even in trace amounts in acetone solutions, and their characteristic Raman peaks still can be distinguished at a concentration of 10−6 mol/L. This study provides a fast, simple and sensitive method for the detection and recognition of organic pollutants such as polychlorinated biphenyls. PMID:22346675

  16. Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced Sampling.

    PubMed

    Duan, Mojie; Liu, Na; Zhou, Wenfang; Li, Dan; Yang, Minghui; Hou, Tingjun

    2016-09-13

    Androgen receptor (AR) plays important roles in the development of prostate cancer (PCa). The antagonistic drugs, which suppress the activity of AR, are widely used in the treatment of PCa. However, the molecular mechanism of antagonism about how ligands affect the structures of AR remains elusive. To better understand the conformational variability of ARs bound with agonists or antagonists, we performed long time unbiased molecular dynamics (MD) simulations and enhanced sampling simulations for the ligand binding domain of AR (AR-LBD) in complex with various ligands. Based on the simulation results, we proposed an allosteric pathway linking ligands and helix 12 (H12) of AR-LBD, which involves the interactions among the ligands and the residues W741, H874, and I899. The interaction pathway provides an atomistic explanation of how ligands affect the structure of AR-LBD. A repositioning of H12 was observed, but it is facilitated by the C-terminal of H12, instead of by the loop between helix 11 (H11) and H12. The bias-exchange metadynamics simulations further demonstrated the above observations. More importantly, the free energy profiles constructed by the enhanced sampling simulations revealed the transition process between the antagonistic form and agonistic form of AR-LBD. Our results would be helpful for the design of more efficient antagonists of AR to combat PCa. PMID:27560203

  17. Comparison of hot hydroxylamine hydrochloride and oxalic acid leaching of stream sediment and coated rock samples as anomaly enhancement techniques

    USGS Publications Warehouse

    Filipek, L.H.; Chao, T.T.; Theobald, P.K.

    1982-01-01

    A hot hydroxylamine hydrochloride (H-Hxl) extraction in 25% acetic acid is compared with the commonly used oxalic acid extraction as a method of anomaly enhancement for Cu and Zn in samples from two very different metal deposits and climatic environments. Results obtained on minus-80-mesh stream sediments from an area near the Magruder massive sulfide deposit in Lincoln County, Georgia, where the climate is humid subtropical, indicate that H-Hxl enhances the anomaly for Cu by a factor of 2 and for Zn by a factor of 1.5, compared to the oxalic method. Analyses of Fe oxide-coated rock samples from outcrops overlying the North Silver Bell porphyry copper deposit near Tucson, Arizona, where the climate is semi-arid to arid, indicate that both techniques effectively outline the zones of hydrothermal alteration. The H-Hxl extraction can also perform well in high-carbonate or high-clay environments, where other workers have suggested that oxalic acid is not very effective. Therefore, the H-Hxl method is recommended for general exploration use. ?? 1982.

  18. Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment

    PubMed Central

    Huang, Xuhui; Bowman, Gregory R.; Pande, Vijay S.

    2008-01-01

    We have implemented the serial replica exchange method (SREM) and simulated tempering (ST) enhanced sampling algorithms in a global distributed computing environment. Here we examine the helix-coil transition of a 21 residue α-helical peptide in explicit solvent. For ST, we demonstrate the efficacy of a new method for determining initial weights allowing the system to perform a random walk in temperature space based on short trial simulations. These weights are updated throughout the production simulation by an adaptive weighting method. We give a detailed comparison of SREM, ST, as well as standard MD and find that SREM and ST give equivalent results in reasonable agreement with experimental data. In addition, we find that both enhanced sampling methods are much more efficient than standard MD simulations. The melting temperature of the Fs peptide with the AMBER99φ potential was calculated to be about 310 K, which is in reasonable agreement with the experimental value of 334 K. We also discuss other temperature dependent properties of the helix-coil transition. Although ST has certain advantages over SREM, both SREM and ST are shown to be powerful methods via distributed computing and will be applied extensively in future studies of complex bimolecular systems. PMID:18513049

  19. Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment

    NASA Astrophysics Data System (ADS)

    Huang, Xuhui; Bowman, Gregory R.; Pande, Vijay S.

    2008-05-01

    We have implemented the serial replica exchange method (SREM) and simulated tempering (ST) enhanced sampling algorithms in a global distributed computing environment. Here we examine the helix-coil transition of a 21 residue α-helical peptide in explicit solvent. For ST, we demonstrate the efficacy of a new method for determining initial weights allowing the system to perform a random walk in temperature space based on short trial simulations. These weights are updated throughout the production simulation by an adaptive weighting method. We give a detailed comparison of SREM, ST, as well as standard MD and find that SREM and ST give equivalent results in reasonable agreement with experimental data. In addition, we find that both enhanced sampling methods are much more efficient than standard MD simulations. The melting temperature of the Fs peptide with the AMBER99φ potential was calculated to be about 310 K, which is in reasonable agreement with the experimental value of 334 K. We also discuss other temperature dependent properties of the helix-coil transition. Although ST has certain advantages over SREM, both SREM and ST are shown to be powerful methods via distributed computing and will be applied extensively in future studies of complex bimolecular systems.

  20. Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment.

    PubMed

    Huang, Xuhui; Bowman, Gregory R; Pande, Vijay S

    2008-05-28

    We have implemented the serial replica exchange method (SREM) and simulated tempering (ST) enhanced sampling algorithms in a global distributed computing environment. Here we examine the helix-coil transition of a 21 residue alpha-helical peptide in explicit solvent. For ST, we demonstrate the efficacy of a new method for determining initial weights allowing the system to perform a random walk in temperature space based on short trial simulations. These weights are updated throughout the production simulation by an adaptive weighting method. We give a detailed comparison of SREM, ST, as well as standard MD and find that SREM and ST give equivalent results in reasonable agreement with experimental data. In addition, we find that both enhanced sampling methods are much more efficient than standard MD simulations. The melting temperature of the Fs peptide with the AMBER99phi potential was calculated to be about 310 K, which is in reasonable agreement with the experimental value of 334 K. We also discuss other temperature dependent properties of the helix-coil transition. Although ST has certain advantages over SREM, both SREM and ST are shown to be powerful methods via distributed computing and will be applied extensively in future studies of complex bimolecular systems.

  1. Bennett's acceptance ratio and histogram analysis methods enhanced by umbrella sampling along a reaction coordinate in configurational space

    NASA Astrophysics Data System (ADS)

    Kim, Ilsoo; Allen, Toby W.

    2012-04-01

    Free energy perturbation, a method for computing the free energy difference between two states, is often combined with non-Boltzmann biased sampling techniques in order to accelerate the convergence of free energy calculations. Here we present a new extension of the Bennett acceptance ratio (BAR) method by combining it with umbrella sampling (US) along a reaction coordinate in configurational space. In this approach, which we call Bennett acceptance ratio with umbrella sampling (BAR-US), the conditional histogram of energy difference (a mapping of the 3N-dimensional configurational space via a reaction coordinate onto 1D energy difference space) is weighted for marginalization with the associated population density along a reaction coordinate computed by US. This procedure produces marginal histograms of energy difference, from forward and backward simulations, with higher overlap in energy difference space, rendering free energy difference estimations using BAR statistically more reliable. In addition to BAR-US, two histogram analysis methods, termed Bennett overlapping histograms with US (BOH-US) and Bennett-Hummer (linear) least square with US (BHLS-US), are employed as consistency and convergence checks for free energy difference estimation by BAR-US. The proposed methods (BAR-US, BOH-US, and BHLS-US) are applied to a 1-dimensional asymmetric model potential, as has been used previously to test free energy calculations from non-equilibrium processes. We then consider the more stringent test of a 1-dimensional strongly (but linearly) shifted harmonic oscillator, which exhibits no overlap between two states when sampled using unbiased Brownian dynamics. We find that the efficiency of the proposed methods is enhanced over the original Bennett's methods (BAR, BOH, and BHLS) through fast uniform sampling of energy difference space via US in configurational space. We apply the proposed methods to the calculation of the electrostatic contribution to the absolute

  2. Sensitivity enhancement and contrasting information provided by free radicals in oriented-sample NMR of bicelle-reconstituted membrane proteins.

    PubMed

    Tesch, Deanna M; Nevzorov, Alexander A

    2014-02-01

    Elucidating structure and topology of membrane proteins (MPs) is essential for unveiling functionality of these important biological constituents. Oriented-sample solid-state NMR (OS-NMR) is capable of providing such information on MPs under nearly physiological conditions. However, two dimensional OS-NMR experiments can take several days to complete due to long longitudinal relaxation times combined with the large number of scans to achieve sufficient signal sensitivity in biological samples. Here, free radicals 5-DOXYL stearic acid, TEMPOL, and CAT-1 were added to uniformly (15)N-labeled Pf1 coat protein reconstituted in DMPC/DHPC bicelles, and their effect on the longitudinal relaxation times (T1Z) was investigated. The dramatically shortened T1Z's allowed for the signal gain per unit time to be used for either: (i) up to a threefold reduction of the total experimental time at 99% magnetization recovery or (ii) obtaining up to 74% signal enhancement between the control and radical samples during constant experimental time at "optimal" relaxation delays. In addition, through OS-NMR and high-field EPR studies, free radicals were able to provide positional constraints in the bicelle system, which provide a description of the location of each residue in Pf1 coat protein within the bicellar membranes. This information can be useful in the determination of oligomerization states and immersion depths of larger membrane proteins.

  3. Sensitivity enhancement and contrasting information provided by free radicals in oriented-sample NMR of bicelle-reconstituted membrane proteins

    NASA Astrophysics Data System (ADS)

    Tesch, Deanna M.; Nevzorov, Alexander A.

    2014-02-01

    Elucidating structure and topology of membrane proteins (MPs) is essential for unveiling functionality of these important biological constituents. Oriented-sample solid-state NMR (OS-NMR) is capable of providing such information on MPs under nearly physiological conditions. However, two dimensional OS-NMR experiments can take several days to complete due to long longitudinal relaxation times combined with the large number of scans to achieve sufficient signal sensitivity in biological samples. Here, free radicals 5-DOXYL stearic acid, TEMPOL, and CAT-1 were added to uniformly 15N-labeled Pf1 coat protein reconstituted in DMPC/DHPC bicelles, and their effect on the longitudinal relaxation times (T1Z) was investigated. The dramatically shortened T1Z's allowed for the signal gain per unit time to be used for either: (i) up to a threefold reduction of the total experimental time at 99% magnetization recovery or (ii) obtaining up to 74% signal enhancement between the control and radical samples during constant experimental time at “optimal” relaxation delays. In addition, through OS-NMR and high-field EPR studies, free radicals were able to provide positional constraints in the bicelle system, which provide a description of the location of each residue in Pf1 coat protein within the bicellar membranes. This information can be useful in the determination of oligomerization states and immersion depths of larger membrane proteins.

  4. Aspergillus PCR-Based Investigation of Fresh Tissue and Effusion Samples in Patients with Suspected Invasive Aspergillosis Enhances Diagnostic Capabilities

    PubMed Central

    Reinwald, M.; Spiess, B.; Heinz, W. J.; Heussel, C. P.; Bertz, H.; Cornely, O. A.; Hahn, J.; Lehrnbecher, T.; Kiehl, M.; Laws, H. J.; Wolf, H. H.; Schwerdtfeger, R.; Schultheis, B.; Burchardt, A.; Klein, M.; Dürken, M.; Claus, B.; Schlegel, F.; Hummel, M.; Hofmann, W.-K.

    2013-01-01

    Although it is a severe complication in immunocompromised patients, diagnosing invasive fungal disease (IFD), especially invasive aspergillosis (IA), remains difficult. In certain clinical scenarios, examining tissue samples for identification of the infectious organism becomes important. As culture-based methods rarely yield results, the performance of an Aspergillus-specific nested PCR in fresh tissue or pleural effusion samples was evaluated. Fresh tissue (n = 59) and effusion (n = 47) specimens from 79 immunocompromised patients were subjected to an Aspergillus-specific PCR assay. Twenty-six patients had proven (n = 20) or probable (n = 6) IFD, according to the European Organization for Research and Treatment of Cancer/Invasive Fungal Infections Cooperative Group and National Institute of Allergy and Infectious Diseases Mycoses Study Group (EORTC/MSG) criteria, while the remaining patients were classified as having either possible IFD (n = 30) or no IFD (n = 23). IA was identified as the underlying IFD in 21/26 proven/probable cases. PCR positivity was observed for 18/21 proven/probable and 6 possible IA cases; cases classified as no IA did not show positive signals. Patients with proven IFD (n = 5) with cultures positive for non-Aspergillus molds also had negative Aspergillus PCR results. Aspergillus PCR performance analysis yielded sensitivity and specificity values of 86% (95% confidence interval [CI], 65% to 95%) and 100% (95% CI, 86% to 100%), respectively, thus leading to a diagnostic odds ratio of >200. In this analysis, good diagnostic performance of the PCR assay for detection of IA was observed for tissue samples, while effusion samples showed lower sensitivity rates. PCR testing represents a complementary tool; a positive PCR result strengthens the likelihood of IA, whereas IA seems unlikely in cases with negative results but findings could indicate non-Aspergillus IFD. Thus, PCR testing of these specimens enhances the diagnostic capabilities. PMID

  5. Enhancing positive parent-child interactions and family functioning in a poverty sample: a randomized control trial.

    PubMed

    Negrão, Mariana; Pereira, Mariana; Soares, Isabel; Mesman, Judi

    2014-01-01

    This study tested the attachment-based intervention program Video-feedback Intervention to promote Positive Parenting and Sensitive Discipline (VIPP-SD) in a randomized controlled trial with poor families of toddlers screened for professional's concerns about the child's caregiving environment. The VIPP-SD is an evidence-based intervention, but has not yet been tested in the context of poverty. The sample included 43 families with 1- to 4-year-old children: mean age at the pretest was 29 months and 51% were boys. At the pretest and posttest, mother-child interactions were observed at home, and mothers reported on family functioning. The VIPP-SD proved to be effective in enhancing positive parent-child interactions and positive family relations in a severely deprived context. Results are discussed in terms of implications for support services provided to such poor families in order to reduce intergenerational risk transmission. PMID:24972101

  6. Interleaved Variable Density Sampling with a Constrained Parallel Imaging Reconstruction for Dynamic Contrast-Enhanced MR Angiography

    PubMed Central

    Wang, Kang; Busse, Reed F.; Holmes, James H.; Beatty, Philip J.; Brittain, Jean H.; Francois, Christopher J.; Reeder, Scott B.; Du, Jiang; Korosec, Frank R.

    2012-01-01

    For MR applications such as contrast-enhanced MR angiography (CE-MRA), it is desirable to achieve simultaneously high spatial and temporal resolution. The current clinical standard uses view sharing methods combined with parallel imaging; however this approach still provides limited spatial and temporal resolution. To improve on the clinical standard, we present an Interleaved Variable Density (IVD) sampling method that pseudorandomly undersamples each individual frame of a 3D Cartesian ky-kz plane combined with parallel imaging acceleration. From this data set, time-resolved images are reconstructed with a method that combines parallel imaging with a multiplicative constraint. Total acceleration factors on the order of 20 are achieved for CE-MRA of the lower extremities, and improvements in temporal fidelity of the depiction of the contrast bolus passage are demonstrated relative to the clinical standard. PMID:21360740

  7. Highly accelerated 3D dynamic contrast enhanced MRI from sparse spiral sampling using integrated partial separability model and JSENSE

    NASA Astrophysics Data System (ADS)

    Lyu, Jingyuan; Spincemaille, Pascal; Wang, Yi; Zhou, Yihang; Ren, Fuquan; Ying, Leslie

    2014-05-01

    Dynamic contrast enhanced MRI requires high spatial resolution for morphological information and high temporal resolution for contrast pharmacokinetics. The current techniques usually have to compromise the spatial information for the required temporal resolution. This paper presents a novel method that effectively integrates sparse sampling, parallel imaging, partial separable (PS) model, and sparsity constraints for highly accelerated DCE-MRI. Phased array coils were used to continuously acquire data from a stack of variable-density spiral trajectory with a golden angle. In reconstruction, the sparsity constraints, the coil sensitivities, spatial and temporal bases of the PS model are jointly estimated through alternating optimization. Experimental results from in vivo DCE liver imaging data show that the proposed method is able to achieve high spatial and temporal resolutions at the same time.

  8. MEASUREMENT OF PYRETHROID RESIDUES IN ENVIRONMENTAL AND FOOD SAMPLES BY ENHANCED SOLVENT EXTRACTION/SUPERCRITICAL FLUID EXTRACTION COUPLED WITH GAS CHROMATOGRAPHY-TANDEM MASS SPECTROMETRY

    EPA Science Inventory

    The abstract summarizes pyrethorid methods development research. It provides a summary of sample preparation and analytical techniques such as supercritical fluid extraction, enhance solvent extraction, gas chromatography and tandem mass spectrometry.

  9. Resolution and quality enhancement in terahertz in-line holography by sub-pixel sampling with double-distance reconstruction.

    PubMed

    Li, Zeyu; Li, Lei; Qin, Yu; Li, Guangbin; Wang, Du; Zhou, Xun

    2016-09-01

    We demonstrate the enhancement of resolution and image quality in terahertz (THz) lens-free in-line digital holography by sub-pixel sampling with double-distance reconstruction. Multiple sub-pixel shifted low-resolution (LR) holograms recorded by a pyroelectric array detector (100 μm × 100 μm pixel pitch, 124 × 124 pixels) are aligned precisely to synthesize a high-resolution (HR) hologram. By this method, the lateral resolution is no more limited by the pixel pitch, and lateral resolution of 150 μm is obtained, which corresponds to 1.26λ with respect to the illuminating wavelength of 118.8 μm (2.52 THz). Compared with other published works, to date, this is the highest resolution in THz digital holography when considering the illuminating wavelength. In addition, to suppress the twin-image and zero-order artifacts, the complex amplitude distributions of both object and illuminaing background wave fields are reconstructed simultaneously. This is achieved by iterative phase retrieval between the double HR holograms and background images at two recording planes, which does not require any constraints on object plane or a priori knowledge of the sample. PMID:27607716

  10. Unambiguous characterization of analytical markers in complex, seized opiate samples using an enhanced ion mobility trace detector-mass spectrometer.

    PubMed

    Liuni, Peter; Romanov, Vladimir; Binette, Marie-Josée; Zaknoun, Hafid; Tam, Maggie; Pilon, Pierre; Hendrikse, Jan; Wilson, Derek J

    2014-11-01

    Ion mobility spectroscopy (IMS)-based trace-compound detectors (TCDs) are powerful and widely implemented tools for the detection of illicit substances. They combine high sensitivity, reproducibility, rapid analysis time, and resistance to dirt with an acceptable false alarm rate. The analytical specificity of TCD-IMS instruments for a given analyte depends strongly on a detailed knowledge of the ion chemistry involved, as well as the ability to translate this knowledge into field-robust analytical methods. In this work, we introduce an enhanced hybrid TCD-IMS/mass spectrometer (TCD-IMS/MS) that combines the strengths of ion-mobility-based target compound detection with unambiguous identification by tandem MS. Building on earlier efforts along these lines (Kozole et al., Anal. Chem. 2011, 83, 8596-8603), the current instrument is capable of positive and negative-mode analyses with tightly controlled gating between the IMS and MS modules and direct measurement of ion mobility profiles. We demonstrate the unique capabilities of this instrument using four samples of opium seized by the Canada Border Services Agency (CBSA), consisting of a mixture of opioid alkaloids and other naturally occurring compounds typically found in these samples. Although many analytical methods have been developed for analyzing naturally occurring opiates, this is the first detailed ion mobility study on seized opium samples. This work demonstrates all available analytical modes for the new IMS-MS system including "single-gate", "dual-gate", MS/MS, and precursor ion scan methods. Using a combination of these modes, we unambiguously identify all signals in the IMS spectra, including previously uncharacterized minor peaks arising from compounds that are common in raw opium. PMID:25302672

  11. Enhanced Spatial & Temporal Sampling of Air/Sea Interaction with the NASA CYGNSS MicroSat Constellation

    NASA Astrophysics Data System (ADS)

    Ruf, C. S.; Ridley, A. J.; O'Brien, A.; Johnson, J.; Yi, Y.

    2013-12-01

    The NASA Cyclone Global Navigation Satellite System (CYGNSS) is a new spaceborne mission to address the deficiencies with current tropical cyclone (TC) intensity forecasts related to inadequate observations and modeling of the inner core. The inadequacy results from two causes: 1) much of the inner core ocean surface is obscured from conventional remote sensing instruments by intense precipitation in the eye wall and inner rain bands; and 2) the rapidly evolving (genesis and intensification) stages of the TC life cycle are poorly sampled by conventional polar-orbiting imagers. CYGNSS is specifically designed to address these two limitations by combining the all-weather performance of GNSS-R bistatic ocean surface scatterometry with the enhanced sampling properties of a constellation of satellites. CYGNSS will provide surface wind measurements of the TC inner core that could not previously be measured from space. Mission simulations predict a median(mean) revisit time of 2(5) hours. The CYGNSS wind fields, when combined with as-frequent precipitation fields (e.g. produced by the upcoming Global Precipitation Measurement mission), will resolve the evolution of both the precipitation and underlying wind fields throughout the TC life cycle. They will provide near simultaneous and continuous observations and enable new insights into TC inner core dynamics and energetics. The use of a dense constellation of GNSS-R microsats results in spatial and temporal sampling properties that are markedly different from previous wide swath polar imagers. In particular, revisit times in the tropics are characterized by a probability distribution rather than a single, deterministic number of hours. The asymmetric shape of the probability distribution results in median revisit times that are less than half that of the mean, and mean revisit times that are less than half that of current polar orbiting imagers. CYGNSS is currently in Phase B project development. In parallel with the

  12. An enhanced droplet-based liquid microjunction surface sampling system coupled with HPLC-ESI-MS/MS for spatially resolved analysis

    DOE PAGESBeta

    Van Berkel, Gary J.; Weiskittel, Taylor M.; Kertesz, Vilmos

    2014-11-07

    Droplet-based liquid microjunction surface sampling coupled with high-performance liquid chromatography (HPLC)-electrospray ionization (ESI)-tandem mass spectrometry (MS/MS) for spatially resolved analysis provides the possibility of effective analysis of complex matrix samples and can provide a greater degree of chemical information from a single spot sample than is typically possible with a direct analysis of an extract. Described here is the setup and enhanced capabilities of a discrete droplet liquid microjunction surface sampling system employing a commercially available CTC PAL autosampler. The system enhancements include incorporation of a laser distance sensor enabling unattended analysis of samples and sample locations of dramatically disparatemore » height as well as reliably dispensing just 0.5 μL of extraction solvent to make the liquid junction to the surface, wherein the extraction spot size was confined to an area about 0.7 mm in diameter; software modifications improving the spatial resolution of sampling spot selection from 1.0 to 0.1 mm; use of an open bed tray system to accommodate samples as large as whole-body rat thin tissue sections; and custom sample/solvent holders that shorten sampling time to approximately 1 min per sample. Lastly, the merit of these new features was demonstrated by spatially resolved sampling, HPLC separation, and mass spectral detection of pharmaceuticals and metabolites from whole-body rat thin tissue sections and razor blade (“crude”) cut mouse tissue.« less

  13. An enhanced droplet-based liquid microjunction surface sampling system coupled with HPLC-ESI-MS/MS for spatially resolved analysis

    SciTech Connect

    Van Berkel, Gary J.; Weiskittel, Taylor M.; Kertesz, Vilmos

    2014-11-07

    Droplet-based liquid microjunction surface sampling coupled with high-performance liquid chromatography (HPLC)-electrospray ionization (ESI)-tandem mass spectrometry (MS/MS) for spatially resolved analysis provides the possibility of effective analysis of complex matrix samples and can provide a greater degree of chemical information from a single spot sample than is typically possible with a direct analysis of an extract. Described here is the setup and enhanced capabilities of a discrete droplet liquid microjunction surface sampling system employing a commercially available CTC PAL autosampler. The system enhancements include incorporation of a laser distance sensor enabling unattended analysis of samples and sample locations of dramatically disparate height as well as reliably dispensing just 0.5 μL of extraction solvent to make the liquid junction to the surface, wherein the extraction spot size was confined to an area about 0.7 mm in diameter; software modifications improving the spatial resolution of sampling spot selection from 1.0 to 0.1 mm; use of an open bed tray system to accommodate samples as large as whole-body rat thin tissue sections; and custom sample/solvent holders that shorten sampling time to approximately 1 min per sample. Lastly, the merit of these new features was demonstrated by spatially resolved sampling, HPLC separation, and mass spectral detection of pharmaceuticals and metabolites from whole-body rat thin tissue sections and razor blade (“crude”) cut mouse tissue.

  14. Towards high concentration enhancement of microfluidic temperature gradient focusing of sample solutes using combined AC and DC field induced Joule heating.

    PubMed

    Ge, Zhengwei; Wang, Wei; Yang, Chun

    2011-04-01

    It is challenging to continuously concentrate sample solutes in microfluidic channels. We present an improved electrokinetic technique for enhancing microfluidic temperature gradient focusing (TGF) of sample solutes using combined AC and DC field induced Joule heating effects. The introduction of an AC electric field component services dual functions: one is to produce Joule heat for generating temperature gradient; the other is to suppress electroosmotic flow. Consequently the required DC voltages for achieving sample concentration by Joule heating induced TGF are reduced, thereby leading to smaller electroosmotic flow (EOF) and thus backpressure effects. As a demonstration, the proposed technique can lead to concentration enhancement of sample solutes of more than 2500-fold, which is much higher than the existing literature reported microfluidic concentration enhancement by utilizing the Joule heating induced TGF technique. PMID:21331425

  15. Novel flashlamp-based time-resolved fluorescence microscope reduces autofluorescence for 30-fold contrast enhancement in environmental samples

    NASA Astrophysics Data System (ADS)

    Connally, Russell; Veal, Duncan; Piper, James A.

    2003-07-01

    The abundance of naturally fluorescing components (autofluorophors) encountered in environmentally sourced samples can greatly hinder the detection and identification of fluorescently labeled target using fluorescence microscopy. Time-resolved fluorescence microscopy (TRFM) is a technique that reduces the effects of autofluorescence through precisely controlled time delays. Lanthanide chelates have fluorescence lifetimes many orders of magnitude greater than typical autofluorophors, and persist in their luminescence long after autofluorescence has ceased. An intense short pulse of (UV) light is used to excite fluorescence in the sample and after a short delay period the longer persisting fluorescence from the chelate is captured with an image-intensified CCD camera. The choice of pulsed excitation source for TRFM has a large impact on the price and performance of the instrument. A flashlamp with a short pulse duration was selected for our instrument because of the high spectral energy in the UV region and short pulse length. However, flash output decays with an approximate lifetime of 18μs and the TRFM requires a long-lived chelate to ensure probe fluorescence is still visible after decay of the flash plasma. We synthesized a recently reported fluorescent chelate (BHHCT) and conjugated it to a monoclonal antibody directed against the water-borne parasite Giardia lamblia. Fluorescence lifetime of the construct was determined to be 339μs +/- 14μs and provided a 45-fold enhancement of labeled Giardia over background using a gate delay of 100μs. Despite the sub-optimal decay characteristics of the light pulse, flashlamps have many advantages compared to optical chopper wheels and modulated lasers. Their low cost, lack of vibration, ease of interface and small footprint are important factors to consider in TRFM design.

  16. Assessing the Accuracy of Two Enhanced Sampling Methods Using EGFR Kinase Transition Pathways: The Influence of Collective Variable Choice.

    PubMed

    Pan, Albert C; Weinreich, Thomas M; Shan, Yibing; Scarpazza, Daniele P; Shaw, David E

    2014-07-01

    Structurally elucidating transition pathways between protein conformations gives deep mechanistic insight into protein behavior but is typically difficult. Unbiased molecular dynamics (MD) simulations provide one solution, but their computational expense is often prohibitive, motivating the development of enhanced sampling methods that accelerate conformational changes in a given direction, embodied in a collective variable. The accuracy of such methods is unclear for complex protein transitions, because obtaining unbiased MD data for comparison is difficult. Here, we use long-time scale, unbiased MD simulations of epidermal growth factor receptor kinase deactivation as a complex biological test case for two widely used methods-steered molecular dynamics (SMD) and the string method. We found that common collective variable choices, based on the root-mean-square deviation (RMSD) of the entire protein, prevented the methods from producing accurate paths, even in SMD simulations on the time scale of the unbiased transition. Using collective variables based on the RMSD of the region of the protein known to be important for the conformational change, however, enabled both methods to provide a more accurate description of the pathway in a fraction of the simulation time required to observe the unbiased transition. PMID:26586510

  17. Enhanced prion detection in biological samples by magnetic particle extraction and real-time quaking-induced conversion.

    PubMed

    Denkers, Nathaniel D; Henderson, Davin M; Mathiason, Candace K; Hoover, Edward A

    2016-08-01

    Prions have been demonstrated in body fluids and excreta using bioassay, but at levels too low for detection by conventional direct-detection assays. More rapid and sensitive detection of prions in these clinically accessible specimens would be valuable for diagnosis and investigations of transmission, environmental impact, and interventions. In addition to very low concentrations of prions, in vitro amplification assays are challenged by the presence of inhibitors in these complex sources. Here, we leverage the prion attribute of avid metal binding with the versatile power of real-time quaking-induced conversion (RT-QuIC) to enhance and simplify detection of chronic wasting-disease prions in biological samples. Iron oxide particle binding and magnetic extraction combined with RT-QuIC permitted rapid analysis of the low concentrations of prions in saliva, urine, faeces, and cerebrospinal fluid. These methods are pertinent to ante-mortem detection, monitoring, and surveillance, and could conceivably be applicable to other protein-misfolding disorders. PMID:27233771

  18. U-2012: An improved Lowry protein assay, insensitive to sample color, offering reagent stability and enhanced sensitivity.

    PubMed

    Upreti, Girish C; Wang, Yanming; Finn, Alona; Sharrock, Abigail; Feisst, Nicholas; Davy, Marcus; Jordan, Robert B

    2012-03-01

    Traditional colorimetric protein assays such as Biuret, Lowry, and modified Lowry (U-1988) are unsuitable for colored biological samples. Here we describe an improved Lowry protein assay (U-2012), which utilizes stable reagents and offers enhanced sensitivity over the U-1988 assay. U-2012 circumvents interference from colored pigments and other substances (for example sugars) bound to perchloric acid (PCA) precipitated proteins by hydrogen peroxide (H2O2) induced oxidation at 50°C. Unused hydrogen peroxide is neutralized with sodium pyruvate before protein estimation for a stable end color. The U-2012 assay is carried out on the PCA precipitated protein pellet after neutralization (with Na2CO3 plus NaOH), solubilization (in Triton-NaCl), decolorization (by H2O2) and pyruvate treatment. Protein contents in red wine and homogenates of beetroot and blueberry are calculated from standard curves established for various proteins and generated using a rectangular hyperbola with parameters estimated with Microsoft Excel's Solver add-in. The U-2012 protein assay represents an improvement over U-1988 and gives a more accurate estimation of protein content. PMID:22401548

  19. High-speed concatenation of frequency ramps using sampled grating distributed Bragg reflector laser diode sources for OCT resolution enhancement

    NASA Astrophysics Data System (ADS)

    George, Brandon; Derickson, Dennis

    2010-02-01

    Wavelength tunable sampled grating distributed Bragg reflector (SG-DBR) lasers used for telecommunications applications have previously demonstrated the ability for linear frequency ramps covering the entire tuning range of the laser at 100 kHz repetition rates1. An individual SG-DBR laser has a typical tuning range of 50 nm. The InGaAs/InP material system often used with SG-DBR lasers allows for design variations that cover the 1250 to 1650 nm wavelength range. This paper addresses the possibility of concatenating the outputs of tunable SGDBR lasers covering adjacent wavelength ranges for enhancing the resolution of OCT measurements. This laser concatenation method is demonstrated by combining the 1525 nm to 1575 nm wavelength range of a "C Band" SG-DBR laser with the 1570nm to 1620 nm wavelength coverage of an "L-Band" SG-DBR laser. Measurements show that SGDBR lasers can be concatenated with a transition switching time of less than 50 ns with undesired leakage signals attenuated by 50 dB.

  20. Assessing the Accuracy of Two Enhanced Sampling Methods Using EGFR Kinase Transition Pathways: The Influence of Collective Variable Choice.

    PubMed

    Pan, Albert C; Weinreich, Thomas M; Shan, Yibing; Scarpazza, Daniele P; Shaw, David E

    2014-07-01

    Structurally elucidating transition pathways between protein conformations gives deep mechanistic insight into protein behavior but is typically difficult. Unbiased molecular dynamics (MD) simulations provide one solution, but their computational expense is often prohibitive, motivating the development of enhanced sampling methods that accelerate conformational changes in a given direction, embodied in a collective variable. The accuracy of such methods is unclear for complex protein transitions, because obtaining unbiased MD data for comparison is difficult. Here, we use long-time scale, unbiased MD simulations of epidermal growth factor receptor kinase deactivation as a complex biological test case for two widely used methods-steered molecular dynamics (SMD) and the string method. We found that common collective variable choices, based on the root-mean-square deviation (RMSD) of the entire protein, prevented the methods from producing accurate paths, even in SMD simulations on the time scale of the unbiased transition. Using collective variables based on the RMSD of the region of the protein known to be important for the conformational change, however, enabled both methods to provide a more accurate description of the pathway in a fraction of the simulation time required to observe the unbiased transition.

  1. Chemical derivatization for enhancing sensitivity during LC/ESI-MS/MS quantification of steroids in biological samples: a review.

    PubMed

    Higashi, Tatsuya; Ogawa, Shoujiro

    2016-09-01

    Sensitive and specific methods for the detection, characterization and quantification of endogenous steroids in body fluids or tissues are necessary for the diagnosis, pathological analysis and treatment of many diseases. Recently, liquid chromatography/electrospray ionization-tandem mass spectrometry (LC/ESI-MS/MS) has been widely used for these purposes due to its specificity and versatility. However, the ESI efficiency and fragmentation behavior of some steroids are poor, which lead to a low sensitivity. Chemical derivatization is one of the most effective methods to improve the detection characteristics of steroids in ESI-MS/MS. Based on this background, this article reviews the recent advances in chemical derivatization for the trace quantification of steroids in biological samples by LC/ESI-MS/MS. The derivatization in ESI-MS/MS is based on tagging a proton-affinitive or permanently charged moiety on the target steroid. Introduction/formation of a fragmentable moiety suitable for the selected reaction monitoring by the derivatization also enhances the sensitivity. The stable isotope-coded derivatization procedures for the steroid analysis are also described.

  2. Field-enhanced sample injection micelle-to-solvent stacking capillary zone electrophoresis-electrospray ionization mass spectrometry of antibiotics in seawater after solid-phase extraction.

    PubMed

    Wuethrich, Alain; Haddad, Paul R; Quirino, Joselito P

    2016-05-01

    The synergistic stacking approach of field-enhanced sample injection-micelle-to-solvent stacking was used for high sensitivity CZE-ESI-MS of eight penicillins and sulfonamides. Sensitivity enhancement factors (peak height) were 1629-3328 compared to typical injection, with LODs from 0.11 to 0.55 ng/mL. The analytical figures of merit were acceptable. SPE on a fortified seawater sample resulted in 50-fold enrichment with recoveries of 85-110%. The overall method LODs were 0.002-0.011 ng/mL. PMID:27135307

  3. Emission enhancement of laser-induced breakdown spectroscopy for aqueous sample analysis based on Au nanoparticles and solid-phase substrate.

    PubMed

    Wen, Xu; Lin, Qingyu; Niu, Guanghui; Shi, Qi; Duan, Yixiang

    2016-08-20

    In this paper, porous electrospun ultrafine fiber with a nanoparticle coating was proposed as an effective approach to enhance the laser-induced breakdown spectroscopy (LIBS) signal for metal ions in aqueous systems. It is known that the LIBS technique is very limited when used for liquid sample analysis. On the other hand, in practical applications, many LIBS measurements have been accomplished in a liquid environment. A signal enhancement method for aqueous sample LIBS analysis was presented in this work, where Au nanoparticles and a solid-phase support were combined for the first time for aqueous sample analysis with LIBS. The system operation was relatively simple, which only required Au nanoparticles being dropped onto the surface of porous electrospun ultrafine fibers before LIBS analysis. Significant signal enhancement was achieved due to the integration of the merits of the Au nanoparticles and the ultrafine fibers. Nanoparticles possess significant LIBS signal enhancement effects by providing several plasma ignition points and then causing more efficient emissions. In addition, Au nanoparticles could also help to decrease the breakdown threshold of target elements for LIBS analysis. The electrospun ultrafine fibers as solid-phase support can accommodate a larger volume of aqueous sample. Meanwhile, the aqueous solution on the fiber surface was easy to evaporate. The experimental results showed that the limits of detection (LODs) with this method were significantly improved, 0.5 μg/mL for Cr, 0.5 μg/mL for Pb, and 1.1 μg/mL for Cu, respectively, compared with 2.0 μg/mL for Cr and 3.3 μg/mL for Cu in the previous research. In the proposed method, signal enhancement could be achieved without any extra equipment, which makes the LIBS technique feasible for direct measurement of an aqueous sample. PMID:27556992

  4. Highly sensitive detection of five typical fluoroquinolones in low-fat milk by field-enhanced sample injection-based CE in bubble cell capillary.

    PubMed

    Deng, Yan; Gasilova, Natalia; Qiao, Liang; Zhou, Ying-Lin; Zhang, Xin-Xiang; Girault, Hubert H

    2014-12-01

    Fluoroquinolones are a group of synthetic antibiotics with a broad activity spectrum against mycoplasma, Gram-positive, and Gram-negative bacteria. Due to the extensive use of fluoroquinolones in farming and veterinary science, there is a constant need in the analytical methods able to efficiently monitor their residues in food products of animal origin, regulated by Commission Regulation (European Union) no. 37/2010. Herein, field-enhanced sample injection for sample stacking prior the CZE separation was developed inside a bubble cell capillary for highly sensitive detection of five typical fluoroquinolones in bovine milk. Ethylenediamine was proposed as the main component of BGE for the antibiotics separation. The effect of BGE composition, injection parameters, and water plug length on the field-enhanced sample injection-based CE with UV detection was investigated. Under the optimized conditions, described field-enhanced sample injection-based CE-UV analysis of fluoroquinolones provides LODs varying from 0.4 to 1.3 ng/mL. These LOD values are much lower (from 460 to 1500 times) than those obtained by a conventional CE in a standard capillary without bubble cell. The developed method was finally applied for the analysis of fluoroquinolones in low-fat milk from a Swiss supermarket. Sample recovery values from 93.6 to 106.0% for different fluoroquinolones, and LODs from 0.7 to 2.5 μg/kg, were achieved. Moreover, the proposed ethylenediamine-based BGE as volatile and compatible with MS system, enabled the coupling of the field-enhanced sample injection-based CE with a recently introduced electrostatic spray ionization MS via an iontophoretic fraction collection interface for qualitative fluoroquinolones identification.

  5. Surfactant-enhanced spectrofluorimetric determination of total aflatoxins from wheat samples after magnetic solid-phase extraction using modified Fe3O4 nanoparticles

    NASA Astrophysics Data System (ADS)

    Manafi, Mohammad Hanif; Allahyari, Mehdi; Pourghazi, Kamyar; Amoli-Diva, Mitra; Taherimaslak, Zohreh

    2015-07-01

    The extraction and preconcentration of total aflatoxins (including aflatoxin B1, B2, G1, and G2) using magnetic nanoparticles based solid phase extraction (MSPE) followed by surfactant-enhanced spectrofluorimetric detection was proposed. Ethylene glycol bis-mercaptoacetate modified silica coated Fe3O4 nanoparticles as an efficient antibody-free adsorbent was successfully applied to extract aflatoxins from wheat samples. High surface area and strong magnetization properties of magnetic nanoparticles were utilized to achieve high enrichment factor (97), and satisfactory recoveries (92-105%) using only 100 mg of the adsorbent. Furthermore, the fast separation time (less than 10 min) avoids many time-consuming cartridge loading or column-passing procedures accompany with the conventional SPE. In determination step, signal enhancement was performed by formation of Triton X-100 micelles around the analytes in 15% (v/v) acetonitrile-water which dramatically increase the sensitivity of the method. Main factors affecting the extraction efficiency and signal enhancement of the analytes including pH of sample solution, desorption conditions, extraction time, sample volume, adsorbent amount, surfactant concentration and volume and time of micelle formation were evaluated and optimized. Under the optimum conditions, wide linear range of 0.1-50 ng mL-1 with low detection limit of 0.03 ng mL-1 were obtained. The developed method was successfully applied to the extraction and preconcentration of aflatoxins in three commercially available wheat samples and the results were compared with the official AOAC method.

  6. Surfactant-enhanced spectrofluorimetric determination of total aflatoxins from wheat samples after magnetic solid-phase extraction using modified Fe₃O₄ nanoparticles.

    PubMed

    Manafi, Mohammad Hanif; Allahyari, Mehdi; Pourghazi, Kamyar; Amoli-Diva, Mitra; Taherimaslak, Zohreh

    2015-07-01

    The extraction and preconcentration of total aflatoxins (including aflatoxin B1, B2, G1, and G2) using magnetic nanoparticles based solid phase extraction (MSPE) followed by surfactant-enhanced spectrofluorimetric detection was proposed. Ethylene glycol bis-mercaptoacetate modified silica coated Fe3O4 nanoparticles as an efficient antibody-free adsorbent was successfully applied to extract aflatoxins from wheat samples. High surface area and strong magnetization properties of magnetic nanoparticles were utilized to achieve high enrichment factor (97), and satisfactory recoveries (92-105%) using only 100mg of the adsorbent. Furthermore, the fast separation time (less than 10 min) avoids many time-consuming cartridge loading or column-passing procedures accompany with the conventional SPE. In determination step, signal enhancement was performed by formation of Triton X-100 micelles around the analytes in 15% (v/v) acetonitrile-water which dramatically increase the sensitivity of the method. Main factors affecting the extraction efficiency and signal enhancement of the analytes including pH of sample solution, desorption conditions, extraction time, sample volume, adsorbent amount, surfactant concentration and volume and time of micelle formation were evaluated and optimized. Under the optimum conditions, wide linear range of 0.1-50 ng mL(-1) with low detection limit of 0.03 ng mL(-1) were obtained. The developed method was successfully applied to the extraction and preconcentration of aflatoxins in three commercially available wheat samples and the results were compared with the official AOAC method.

  7. Dengue Virus Infection-Enhancing Activity in Serum Samples with Neutralizing Activity as Determined by Using FcγR-Expressing Cells

    PubMed Central

    Moi, Meng Ling; Lim, Chang-Kweng; Chua, Kaw Bing; Takasaki, Tomohiko; Kurane, Ichiro

    2012-01-01

    Background Progress in dengue vaccine development has been hampered by limited understanding of protective immunity against dengue virus infection. Conventional neutralizing antibody titration assays that use FcγR-negative cells do not consider possible infection-enhancement activity. We reasoned that as FcγR-expressing cells are the major target cells of dengue virus, neutralizing antibody titration assays using FcγR-expressing cells that determine the sum of neutralizing and infection-enhancing activity, may better reflect the biological properties of antibodies in vivo. Methods and Findings We evaluated serum samples from 80 residents of a dengue endemic country, Malaysia, for neutralizing activity, and infection-enhancing activity at 1∶10 serum dilution by using FcγR-negative BHK cells and FcγR-expressing BHK cells. The serum samples consisted of a panel of patients with acute DENV infection (31%, 25/80) and a panel of donors without acute DENV infection (69%, 55/80). A high proportion of the tested serum samples (75%, 60/80) demonstrated DENV neutralizing activity (PRNT50≥10) and infection-enhancing activity. Eleven of 18 serum samples from patients with acute secondary DENV infection demonstrated neutralizing activity to the infecting serotype determined by using FcγR-negative BHK cells (PRNT50≥10), but not when determined by using FcγR-expressing cells. Conclusion Human serum samples with low neutralizing activity determined by using FcγR-negative cells showed DENV infection-enhancing activity using FcγR-expressing cells, whereas those with high neutralizing activity determined by using FcγR-negative cells demonstrate low or no infection-enhancing activity using FcγR-expressing cells. The results suggest an inverse relationship between neutralizing antibody titer and infection-enhancing activity, and that neutralizing activity determined by using FcγR-expressing cells, and not the activity determined by using FcγR-negative cells, may

  8. A divide-and-conquer strategy in tumor sampling enhances detection of intratumor heterogeneity in routine pathology: A modeling approach in clear cell renal cell carcinoma.

    PubMed

    Lopez, José I; Cortes, Jesús M

    2016-01-01

    Intratumor heterogeneity (ITH) is an inherent process in cancer development which follows for most of the cases a branched pattern of evolution, with different cell clones evolving independently in space and time across different areas of the same tumor. The determination of ITH (in both spatial and temporal domains) is nowadays critical to enhance patient treatment and prognosis. Clear cell renal cell carcinoma (CCRCC) provides a good example of ITH. Sometimes the tumor is too big to be totally analyzed for ITH detection and pathologists decide which parts must be sampled for the analysis. For such a purpose, pathologists follow internationally accepted protocols. In light of the latest findings, however, current sampling protocols seem to be insufficient for detecting ITH with significant reliability. The arrival of new targeted therapies, some of them providing promising alternatives to improve patient survival, pushes the pathologist to obtain a truly representative sampling of tumor diversity in routine practice. How large this sampling must be and how this must be performed are unanswered questions so far.  Here we present a very simple method for tumor sampling that enhances ITH detection without increasing costs. This method follows a divide-and-conquer (DAC) strategy, that is, rather than sampling a small number of large-size tumor-pieces as the routine protocol (RP) advises, we suggest sampling many small-size pieces along the tumor. We performed a computational modeling approach to show that the usefulness of the DAC strategy is twofold: first, we show that DAC outperforms RP with similar laboratory costs, and second, DAC is capable of performing similar to total tumor sampling (TTS) but, very remarkably, at a much lower cost. We thus provide new light to push forward a shift in the paradigm about how pathologists should sample tumors for achieving efficient ITH detection. PMID:27127618

  9. A divide-and-conquer strategy in tumor sampling enhances detection of intratumor heterogeneity in routine pathology: A modeling approach in clear cell renal cell carcinoma.

    PubMed

    Lopez, José I; Cortes, Jesús M

    2016-01-01

    Intratumor heterogeneity (ITH) is an inherent process in cancer development which follows for most of the cases a branched pattern of evolution, with different cell clones evolving independently in space and time across different areas of the same tumor. The determination of ITH (in both spatial and temporal domains) is nowadays critical to enhance patient treatment and prognosis. Clear cell renal cell carcinoma (CCRCC) provides a good example of ITH. Sometimes the tumor is too big to be totally analyzed for ITH detection and pathologists decide which parts must be sampled for the analysis. For such a purpose, pathologists follow internationally accepted protocols. In light of the latest findings, however, current sampling protocols seem to be insufficient for detecting ITH with significant reliability. The arrival of new targeted therapies, some of them providing promising alternatives to improve patient survival, pushes the pathologist to obtain a truly representative sampling of tumor diversity in routine practice. How large this sampling must be and how this must be performed are unanswered questions so far.  Here we present a very simple method for tumor sampling that enhances ITH detection without increasing costs. This method follows a divide-and-conquer (DAC) strategy, that is, rather than sampling a small number of large-size tumor-pieces as the routine protocol (RP) advises, we suggest sampling many small-size pieces along the tumor. We performed a computational modeling approach to show that the usefulness of the DAC strategy is twofold: first, we show that DAC outperforms RP with similar laboratory costs, and second, DAC is capable of performing similar to total tumor sampling (TTS) but, very remarkably, at a much lower cost. We thus provide new light to push forward a shift in the paradigm about how pathologists should sample tumors for achieving efficient ITH detection.

  10. Enhanced recovery of spermatozoa and comprehensive lysis of epithelial cells from sexual assault samples having a low cell counts or aged up to one year.

    PubMed

    Lounsbury, Jenny A; Nambiar, Shanti M; Karlsson, Anne; Cunniffe, Helina; Norris, Jessica V; Ferrance, Jerome P; Landers, James P

    2014-01-01

    Differential extraction (DE) is the most common method for processing sexual assault samples, allowing for the simultaneous recovery of sperm and epithelial cells from the swab with the separation of sperm cells from epithelial cell DNA by exploiting the differences in the cell membrane susceptibility to detergents. However, sperm cell recovery when using DE is generally 40-50% [1], which can reduce the probability of obtaining a STR profile of the semen contributor, especially if the sample is aged or has a low number of sperm cells. Here, we present a novel buffer, containing SDS and ProK that, when used as an initial incubation buffer, enhances sperm cell recovery to as high as 90%, representing a 200-300% increase over conventional DE buffer. Adjusting the incubation time and temperature provided high, reproducible sperm cell yields. Sample vortexing and replacement of SDS with sodium octyl sulfate (SOS), another sulfate-based anionic detergent, did not provide any further enhancement of the sperm cell recoveries. Furthermore, the one-step buffer provided up to a 300% increase in recovery over the conventional DE buffer when used on samples aged up to one year. STR analysis of samples containing 500 or more sperm cells treated with this buffer showed comparable results (i.e., full STR profiles; 16 of 16 loci) to those obtained using a conventional DE buffer. Finally, when the sample contained only 400 sperm cells (recovered in 100μL volume, then extracted), substantially more STR loci (14 of 16) were generated using the novel buffer in comparison to the conventional DE buffer (4 of 16 loci). This work demonstrates that this buffer may be useful as an alternative for the initial sample incubation step in differential extraction, particularly for aged or samples known to have a low number of sperm cells.

  11. Enhanced stability of microRNA expression facilitates classification of FFPE tumour samples exhibiting near total mRNA degradation

    PubMed Central

    Hall, J S; Taylor, J; Valentine, H R; Irlam, J J; Eustace, A; Hoskin, P J; Miller, C J; West, C M L

    2012-01-01

    Background: As degradation of formalin-fixed paraffin-embedded (FFPE) samples limits the ability to profile mRNA expression, we explored factors predicting the success of mRNA expression profiling of FFPE material and investigated an approach to overcome the limitation. Methods: Bladder (n=140, stored 3–8 years) and cervix (n=160, stored 8–23 years) carcinoma FFPE samples were hybridised to Affymetrix Exon 1.0ST arrays. Percentage detection above background (%DABG) measured technical success. Biological signal was assessed by distinguishing cervix squamous cell carcinoma (SCC) and adenocarcinoma (AC) using a gene signature. As miR-205 had been identified as a marker of SCC, precursor mir-205 was measured by Exon array and mature miR-205 by qRT–PCR. Genome-wide microRNA (miRNA) expression (Affymetrix miRNA v2.0 arrays) was compared in eight newer FFPE samples with biological signal and eight older samples without. Results: RNA quality controls (QCs) (e.g., RNA integrity (RIN) number) failed to predict profiling success, but sample age correlated with %DABG in bladder (R=−0.30, P<0.01) and cervix (R=−0.69, P<0.01). Biological signal was lost in older samples and neither a signature nor precursor mir-205 separated samples by histology. miR-205 qRT–PCR discriminated SCC from AC, validated by miRNA profiling (26-fold higher in SCC; P=1.10 × 10−5). Genome-wide miRNA (R=0.95) and small nucleolar RNA (R=0.97) expression correlated well in the eight newer vs older FFPE samples and better than mRNA expression (R=0.72). Conclusion: Sample age is the best predictor of successful mRNA profiling of FFPE material, and miRNA profiling overcomes the limitation of age and copes well with older samples. PMID:22805332

  12. Determination of phthalate esters in liquor samples by vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction followed by GC-MS.

    PubMed

    Leng, Geng; Chen, Wenjin; Zhang, Mingfang; Huang, Fang; Cao, Qiming

    2014-03-01

    A novel method using vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction has been developed for the extraction of phthalate esters (PAEs) in Chinese liquor samples prior to analysis by GC-MS. In the proposed method, a high-density extraction solvent (carbon tetrachloride) was dispersed into samples with the aid of a surfactant (Triton X-100) and vortex agitation, resulting in a short extraction equilibrium (30 s). After centrifugation, a single microdrop of solvent was easily collected for GC-MS analysis. Key factors that affected the extraction efficiency were optimized. Under the optimum conditions, linearity was found in the range from 0.05 to 50 μg/L. Coefficients of determination varied from 0.9938 to 0.9971. LODs, based on an S/N of 3, ranged from 4.9 to 13 ng/L. Enrichment factors varied from 140 to 184. Reproducibility and recoveries were assessed by testing a series of three liquor samples that were spiked with different concentration levels. Finally, the proposed method was successfully applied to the determination of PAEs in 16 Chinese liquor samples. In this work, high-density-solvent vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction was applied for the first time for the extraction of PAEs in Chinese liquor samples and was proved to be simple, rapid, and sensitive.

  13. Internal multiple-scattering hole-enhanced Raman spectroscopy: improved backscattering Fourier transform Raman sampling in pharmaceutical tablets utilizing cylindrical-conical holes.

    PubMed

    Larkin, Peter J; Santangelo, Matthew; Šašiċ, Slobodan

    2012-08-01

    The benefits of Raman signal enhancement and improved measurement precision are demonstrated using 180° backscattering Fourier transform Raman (FT-Raman) spectroscopy from drilled cylindrical-conical holes within pharmaceutical tablet cores. Multiple scattering of the incident laser light within the holes results in an increased Raman signal due to the larger Raman sampling volume. This is important for overcoming typical sub-sampling issues encountered when employing FT-Raman backscattering of heterogeneous pharmaceutical tablets. Hole depth and diameter were found to be important experimental parameters and were optimized to yield the greatest signal enhancement. The FT-Raman spectra collected using backscattering from cylindrical-conical holes is compared to typical 180° backscattering from flat surfaces using tablet cores of Excedrin® and Vivarin®. Raman chemical images are used to establish a representative sampling area. We observe a three- to five-fold increase in the Raman intensity and a two-fold improvement in the measurement precision when sampling from cylindrical-conical holes rather than classic backscattering from flat tablet cores. Self-absorption effects on analyte band ratios are negligible in the fingerprint region but are more significant at the higher near-infrared (NIR) absorbances found in the C-H/O-H/-N-H stretching region. The sampling technique will facilitate developing quantitative FT-Raman methods for application to pharmaceutical tablets using the fingerprint spectral region.

  14. A device design of an integrated CMOS poly-silicon biosensor-on-chip to enhance performance of biomolecular analytes in serum samples.

    PubMed

    Pei-Wen, Yen; Che-Wei, Huang; Yu-Jie, Huang; Min-Cheng, Chen; Hsin-Hao, Liao; Shey-Shi, Lu; Chih-Ting, Lin

    2014-11-15

    For on-site clinical diagnosis of biomolecules, the detection performances of most point-of-care (POC) biosensor devices are limited by undesired cross-detection of other non-analyte proteins in patient serum samples and other complex samples. To conquer this obstacle, this work presents a fully integrated bottom-gate poly-silcion nanowire (polySi NW) biosensor system-on-chip (SoC) to enhance the detection performance of cardiac-specific troponin-I (cTnI) concentration levels in serum samples. By applying proper electrical potential at the bottom gate under polySi NW biosensor, the biosensor response to cTnI biomarker can be improved by at least 16 fold in 50% phantom serum samples. The experimental result shows its detection range is from 3.2 × 10(-13)M(mol l(-1)) to 3.2 × 10(-10)M. This enhancement can be attributed to the electrostatic interactions between target biomolecules and voltage-applied bottom gate electrodes. This is the first time that a polySi NW CMOS biosensor chip has shown feasibilities to detect specific biomarkers in serum samples. Therefore, the developed technology paves the way toward on-field applications of CMOS compatible SiNW biosensing technologies and it can be employed for future biomolecular analysis in on-site serum diagnosis applications.

  15. Sample-based engine noise synthesis using an enhanced pitch-synchronous overlap-and-add method.

    PubMed

    Jagla, Jan; Maillard, Julien; Martin, Nadine

    2012-11-01

    An algorithm for the real time synthesis of internal combustion engine noise is presented. Through the analysis of a recorded engine noise signal of continuously varying engine speed, a dataset of sound samples is extracted allowing the real time synthesis of the noise induced by arbitrary evolutions of engine speed. The sound samples are extracted from a recording spanning the entire engine speed range. Each sample is delimitated such as to contain the sound emitted during one cycle of the engine plus the necessary overlap to ensure smooth transitions during the synthesis. The proposed approach, an extension of the PSOLA method introduced for speech processing, takes advantage of the specific periodicity of engine noise signals to locate the extraction instants of the sound samples. During the synthesis stage, the sound samples corresponding to the target engine speed evolution are concatenated with an overlap and add algorithm. It is shown that this method produces high quality audio restitution with a low computational load. It is therefore well suited for real time applications. PMID:23145595

  16. Sample-based engine noise synthesis using an enhanced pitch-synchronous overlap-and-add method.

    PubMed

    Jagla, Jan; Maillard, Julien; Martin, Nadine

    2012-11-01

    An algorithm for the real time synthesis of internal combustion engine noise is presented. Through the analysis of a recorded engine noise signal of continuously varying engine speed, a dataset of sound samples is extracted allowing the real time synthesis of the noise induced by arbitrary evolutions of engine speed. The sound samples are extracted from a recording spanning the entire engine speed range. Each sample is delimitated such as to contain the sound emitted during one cycle of the engine plus the necessary overlap to ensure smooth transitions during the synthesis. The proposed approach, an extension of the PSOLA method introduced for speech processing, takes advantage of the specific periodicity of engine noise signals to locate the extraction instants of the sound samples. During the synthesis stage, the sound samples corresponding to the target engine speed evolution are concatenated with an overlap and add algorithm. It is shown that this method produces high quality audio restitution with a low computational load. It is therefore well suited for real time applications.

  17. Human milk oligosaccharides and Lewis blood group: individual high-throughput sample profiling to enhance conclusions from functional studies.

    PubMed

    Blank, Dennis; Dotz, Viktoria; Geyer, Rudolf; Kunz, Clemens

    2012-05-01

    Human milk oligosaccharides (HMO) are discussed to play a crucial role in an infant's development. Lewis blood group epitopes, in particular, seem to remarkably contribute to the beneficial effects of HMO. In this regard, large-scale functional human studies could provide evidence of the variety of results from in vitro investigations, although increasing the amount and complexity of sample and data handling. Therefore, reliable screening approaches are needed. To predict the oligosaccharide pattern in milk, the routine serological Lewis blood group typing of blood samples can be applied due to the close relationship between the biosynthesis of HMO and the Lewis antigens on erythrocytes. However, the actual HMO profile of the individual samples does not necessarily correspond to the serological determinations. This review demonstrates the capabilities of merging the traditional serological Lewis blood group typing with the additional information provided by the comprehensive elucidation of individual HMO patterns by means of state-of-the-art analytics. Deduced from the association of the suggested HMO biosynthesis with the Lewis blood group, the matrix-assisted laser desorption/ionization time-of-flight mass spectrometry profiles of oligosaccharides in individual milk samples exemplify the advantages and the limitations of sample assignment to distinct groups.

  18. Efficiency enhancement of optimized Latin hypercube sampling strategies: Application to Monte Carlo uncertainty analysis and meta-modeling

    NASA Astrophysics Data System (ADS)

    Rajabi, Mohammad Mahdi; Ataie-Ashtiani, Behzad; Janssen, Hans

    2015-02-01

    The majority of literature regarding optimized Latin hypercube sampling (OLHS) is devoted to increasing the efficiency of these sampling strategies through the development of new algorithms based on the combination of innovative space-filling criteria and specialized optimization schemes. However, little attention has been given to the impact of the initial design that is fed into the optimization algorithm, on the efficiency of OLHS strategies. Previous studies, as well as codes developed for OLHS, have relied on one of the following two approaches for the selection of the initial design in OLHS: (1) the use of random points in the hypercube intervals (random LHS), and (2) the use of midpoints in the hypercube intervals (midpoint LHS). Both approaches have been extensively used, but no attempt has been previously made to compare the efficiency and robustness of their resulting sample designs. In this study we compare the two approaches and show that the space-filling characteristics of OLHS designs are sensitive to the initial design that is fed into the optimization algorithm. It is also illustrated that the space-filling characteristics of OLHS designs based on midpoint LHS are significantly better those based on random LHS. The two approaches are compared by incorporating their resulting sample designs in Monte Carlo simulation (MCS) for uncertainty propagation analysis, and then, by employing the sample designs in the selection of the training set for constructing non-intrusive polynomial chaos expansion (NIPCE) meta-models which subsequently replace the original full model in MCSs. The analysis is based on two case studies involving numerical simulation of density dependent flow and solute transport in porous media within the context of seawater intrusion in coastal aquifers. We show that the use of midpoint LHS as the initial design increases the efficiency and robustness of the resulting MCSs and NIPCE meta-models. The study also illustrates that this

  19. Dynamic nuclear polarization-enhanced 1H-13C double resonance NMR in static samples below 20 K

    NASA Astrophysics Data System (ADS)

    Potapov, Alexey; Thurber, Kent R.; Yau, Wai-Ming; Tycko, Robert

    2012-08-01

    We demonstrate the feasibility of one-dimensional and two-dimensional 1H-13C double resonance NMR experiments with dynamic nuclear polarization (DNP) at 9.4 T and temperatures below 20 K, including both 1H-13C cross-polarization and 1H decoupling, and discuss the effects of polarizing agent type, polarizing agent concentration, temperature, and solvent deuteration. We describe a two-channel low-temperature DNP/NMR probe, capable of carrying the radio-frequency power load required for 1H-13C cross-polarization and high-power proton decoupling. Experiments at 8 K and 16 K reveal a significant T2 relaxation of 13C, induced by electron spin flips. Carr-Purcell experiments and numerical simulations of Carr-Purcell dephasing curves allow us to determine the effective correlation time of electron flips under our experimental conditions. The dependence of the DNP signal enhancement on electron spin concentration shows a maximum near 80 mM. Although no significant difference in the absolute DNP enhancements for triradical (DOTOPA-TEMPO) and biradical (TOTAPOL) dopants was found, the triradical produced greater DNP build-up rates, which are advantageous for DNP experiments. Additionally the feasibility of structural measurements on 13C-labeled biomolecules was demonstrated with a two-dimensional 13C-13C exchange spectrum of selectively 13C-labeled β-amyloid fibrils.

  20. Dynamic nuclear polarization-enhanced 1H–13C double resonance NMR in static samples below 20 K

    PubMed Central

    Potapov, Alexey; Thurber, Kent R.; Yau, Wai-Ming; Tycko, Robert

    2012-01-01

    We demonstrate the feasibility of one-dimensional and two-dimensional 1H–13C double resonance NMR experiments with dynamic nuclear polarization (DNP) at 9.4 T and temperatures below 20 K, including both 1H–13C cross-polarization and 1H decoupling, and discuss the effects of polarizing agent type, polarizing agent concentration, temperature, and solvent deuteration. We describe a two-channel low-temperature DNP/NMR probe, capable of carrying the radio-frequency power load required for 1H–13C cross-polarization and high-power proton decoupling. Experiments at 8 K and 16 K reveal a significant T2 relaxation of 13C, induced by electron spin flips. Carr–Purcell experiments and numerical simulations of Carr–Purcell dephasing curves allow us to determine the effective correlation time of electron flips under our experimental conditions. The dependence of the DNP signal enhancement on electron spin concentration shows a maximum near 80 mM. Although no significant difference in the absolute DNP enhancements for triradical (DOTOPA-TEMPO) and biradical (TOTAPOL) dopants was found, the triradical produced greater DNP build-up rates, which are advantageous for DNP experiments. Additionally the feasibility of structural measurements on 13C-labeled biomolecules was demonstrated with a two-dimensional 13C–13C exchange spectrum of selectively 13C-labeled β-amyloid fibrils. PMID:22743540

  1. Dynamic nuclear polarization-enhanced ¹H-¹³C double resonance NMR in static samples below 20 K.

    PubMed

    Potapov, Alexey; Thurber, Kent R; Yau, Wai-Ming; Tycko, Robert

    2012-08-01

    We demonstrate the feasibility of one-dimensional and two-dimensional ¹H-¹³C double resonance NMR experiments with dynamic nuclear polarization (DNP) at 9.4 T and temperatures below 20 K, including both ¹H-¹³C cross-polarization and ¹H decoupling, and discuss the effects of polarizing agent type, polarizing agent concentration, temperature, and solvent deuteration. We describe a two-channel low-temperature DNP/NMR probe, capable of carrying the radio-frequency power load required for ¹H-¹³C cross-polarization and high-power proton decoupling. Experiments at 8 K and 16 K reveal a significant T₂ relaxation of ¹³C, induced by electron spin flips. Carr-Purcell experiments and numerical simulations of Carr-Purcell dephasing curves allow us to determine the effective correlation time of electron flips under our experimental conditions. The dependence of the DNP signal enhancement on electron spin concentration shows a maximum near 80 mM. Although no significant difference in the absolute DNP enhancements for triradical (DOTOPA-TEMPO) and biradical (TOTAPOL) dopants was found, the triradical produced greater DNP build-up rates, which are advantageous for DNP experiments. Additionally the feasibility of structural measurements on ¹³C-labeled biomolecules was demonstrated with a two-dimensional ¹³C-¹³C exchange spectrum of selectively ¹³C-labeled β-amyloid fibrils. PMID:22743540

  2. Quantum memory enhanced nuclear magnetic resonance of nanometer-scale samples with a single spin in diamond

    NASA Astrophysics Data System (ADS)

    Aslam, Nabeel; Pfender, Matthias; Zaiser, Sebastian; Favaro de Oliveira, Felipe; Momenzadeh, S. Ali; Denisenko, Andrej; Isoya, Junichi; Neumann, Philipp; Wrachtrup, Joerg

    Recently nuclear magnetic resonance (NMR) of nanoscale samples at ambient conditions has been achieved with nitrogen-vacancy (NV) centers in diamond. So far the spectral resolution in the NV NMR experiments was limited by the sensor's coherence time, which in turn prohibited revealing the chemical composition and dynamics of the system under investigation. By entangling the NV electron spin sensor with a long-lived memory spin qubit we increase the spectral resolution of NMR measurement sequences for the detection of external nuclear spins. Applying the latter sensor-memory-couple it is particularly easy to track diffusion processes, to identify the molecules under study and to deduce the actual NV center depth inside the diamond. We performed nanoscale NMR on several liquid and solid samples exhibiting unique NMR response. Our method paves the way for nanoscale identification of molecule and protein structures and dynamics of conformational changes.

  3. Comparison of the enhanced gas sensing properties of tin dioxide samples doped with different catalytic transition elements.

    PubMed

    Yang, Fuchao; Guo, Zhiguang

    2015-06-15

    In this work, non-doped SnO2 samples, and SnO2 samples doped with Zn(II), Cu(II), or Mn(II), having hierarchical microstructures, were prepared using an otherwise identical hydrothermal process, followed by annealing. The morphological and structural characteristics of the samples were systematically characterized by X-ray powder diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), Brunauer-Emmett-Teller (BET) measurements, and X-ray photoelectron spectroscopy (XPS). Ten gas sensors were constructed from each material, and compared as to detection of gas-phase ethanol, acetone, glacial acetic acid, methanol, and ammonia. The results indicated, for example, that SnO2 containing 2.91% Mn dopant exhibited a 2.5-fold higher gas detection response toward ethanol at 100 ppm than that of the non-doped material. The fastest response time for 100 ppm ethanol was found for Cu(II)-doped SnO2 (9.7 s), compared with 12.4 s for non-doped SnO2. Graphs of sensor response versus operating temperature for SnO2 containing different types and quantities of dopant exhibited quite different morphologies. The gas-sensing mechanism appears to involve reactions between the detected gases and the various oxygenous ions, such as O, O2(-), and O(2-), present at the surface of the sensor.

  4. Overcoming barriers in trajectory space: mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling.

    PubMed

    Borrero, Ernesto E; Dellago, Christoph

    2010-10-01

    Within the framework of transition path sampling (TPS), activation energies can be computed as path ensemble averages without a priori information about the reaction mechanism [C. Dellago and P. G. Bolhuis, Mol. Simul. 30, 795 (2004)]. Activation energies computed for different conditions can then be used to determine by numerical integration the rate constant for a system of interest from the rate constant known for a reference system. However, in systems with complex potential energy surfaces, multiple reaction pathways may exist making ergodic sampling of trajectory space difficult. Here, we present a combination of TPS with the Wang-Landau (WL) flat-histogram algorithm for an efficient sampling of the transition path ensemble. This method, denoted by WL-TPS, has the advantage that from one single simulation, activation energies at different temperatures can be determined even for systems with multiple reaction mechanisms. The proposed methodology for rate constant calculations does not require the knowledge of the reaction coordinate and is generally applicable to Arrhenius and non-Arrhenius processes. We illustrate the applicability of this technique by studying a two-dimensional toy system consisting of a triatomic molecule immersed in a fluid of repulsive soft disks. We also provide an expression for the calculation of activation volumes from path averages such that the pressure dependence of the rate constant can be obtained by numerical integration.

  5. Surfactant-enhanced spectrofluorimetric determination of total aflatoxins from wheat samples after magnetic solid-phase extraction using modified Fe₃O₄ nanoparticles.

    PubMed

    Manafi, Mohammad Hanif; Allahyari, Mehdi; Pourghazi, Kamyar; Amoli-Diva, Mitra; Taherimaslak, Zohreh

    2015-07-01

    The extraction and preconcentration of total aflatoxins (including aflatoxin B1, B2, G1, and G2) using magnetic nanoparticles based solid phase extraction (MSPE) followed by surfactant-enhanced spectrofluorimetric detection was proposed. Ethylene glycol bis-mercaptoacetate modified silica coated Fe3O4 nanoparticles as an efficient antibody-free adsorbent was successfully applied to extract aflatoxins from wheat samples. High surface area and strong magnetization properties of magnetic nanoparticles were utilized to achieve high enrichment factor (97), and satisfactory recoveries (92-105%) using only 100mg of the adsorbent. Furthermore, the fast separation time (less than 10 min) avoids many time-consuming cartridge loading or column-passing procedures accompany with the conventional SPE. In determination step, signal enhancement was performed by formation of Triton X-100 micelles around the analytes in 15% (v/v) acetonitrile-water which dramatically increase the sensitivity of the method. Main factors affecting the extraction efficiency and signal enhancement of the analytes including pH of sample solution, desorption conditions, extraction time, sample volume, adsorbent amount, surfactant concentration and volume and time of micelle formation were evaluated and optimized. Under the optimum conditions, wide linear range of 0.1-50 ng mL(-1) with low detection limit of 0.03 ng mL(-1) were obtained. The developed method was successfully applied to the extraction and preconcentration of aflatoxins in three commercially available wheat samples and the results were compared with the official AOAC method. PMID:25804513

  6. Three-step stacking by field-enhanced sample injection, sweeping, and micelle to solvent stacking in capillary electrophoresis: Anionic analytes.

    PubMed

    Grochocki, Wojciech; Markuszewski, Michał J; Quirino, Joselito P

    2016-04-15

    Three-step stacking by field-enhanced sample injection (FESI), sweeping, and micelle to solvent stacking (MSS) in co-EOF capillary zone electrophoresis (CZE) is presented for anionic analytes. Long FESI produced an overloaded stacked zone of analytes (four model penicillins). Sweeping of the FESI zone was by electrokinetic injection of cetyltrimethylammonium bromide (CTAB) micelles. MSS was by short injection of 60% methanol that released the swept analytes from CTAB micelles. The sensitivity enhancement factors were 146-279 and 519-954 for conductivity ratio of 10 and 100, respectively. The SEF enhancement factors (factor=SEF from three-step stacking/SEF from FESI) were 16-32 and 6-10, correspondingly. The LODs were between 6.6-13.2 ng/mL, repeatability (intraday and interday) was %RSD≤5.4%, and linearity was R(2)≥0.998. Application to real sample was investigated using fortified plasma after liquid-liquid extraction. PMID:27000740

  7. A nested PCR assay exhibits enhanced sensitivity for detection of Theileria parva infections in bovine blood samples from carrier animals.

    PubMed

    Odongo, David O; Sunter, Jack D; Kiara, Henry K; Skilton, Robert A; Bishop, Richard P

    2010-01-01

    Theileria parva causes East Coast fever, an economically important disease of cattle in sub-Saharan Africa. We describe a nested polymerase chain reaction (nPCR) assay for the detection of T. parva DNA in cattle blood spotted onto filter paper using primers derived from the T. parva-specific 104-kDa antigen (p104) gene. The sensitivity of this assay was compared to a previously described p104-based PCR and also the reverse line blot (RLB) technique, using serial dilutions of blood from a calf with known T. parva piroplasm parasitaemia. The relative sensitivities of the three assays were 0.4, 1.4 and 4 parasites/microl corresponding to blood parasitaemias of 9.2 x 10(-6)%, 2.8 x 10(-5)% and 8.3 x 10(-5)%, respectively. The three assays were applied to samples from two calves infected with the T. parva Muguga stock. Parasite DNA was consistently detectable by the two p104 PCR assays until 48 and 82 days post-infection, respectively, and thereafter sporadically. RLB detected parasite DNA in the two infected calves until days 43 and 45. Field samples from 151 Kenyan cattle exhibited 37.7% positivity for T. parva by regular p104 PCR and 42.3% positivity using p104 nPCR. Among 169 cattle blood samples from Southern Sudan, 36% were positive for T. parva using nPCR. The nPCR assay represents a highly sensitive tool for detection and monitoring of asymptomatic carrier state infections of T. parva in the blood of cattle. PMID:19902251

  8. Determination of Lead in Water Samples Using a New Vortex-Assisted, Surfactant-Enhanced Emulsification Liquid-Liquid Microextraction Combined with Graphite Furnace Atomic Absorption Spectrometry.

    PubMed

    Peng, Guilong; He, Qiang; Lu, Ying; Mmereki, Daniel; Pan, Weiliang; Tang, Xiaohui; Zhou, Guangming; Mao, Yufeng; Su, Xaioxuan

    2016-04-01

    A low toxic solvent-based vortex-assisted surfactant-enhanced emulsification liquid-liquid microextraction (LT-VSLLME) combined with graphite furnace atomic absorption spectrometry was developed for the extraction and determination of lead (Pb) in water samples. In the LT-VSLLME method, the extraction solvent was dispersed into the aqueous samples by the assistance of vortex agitator. Meanwhile, the addition of a surfactant, which acted as an emulsifier, could enhance the speed of the mass-transfer from aqueous samples to the extraction solvent. The influences of analytical parameters, including extraction solvent type and its volume, surfactant type and its volume, pH, concentration of chelating agent, salt effect and extraction time were investigated. Under the optimized conditions, a good relative standard deviation of 3.69% at 10 ng L(-1) was obtained. The calibration graph showed a linear pattern in the ranges of 5-30 ngL(-1), with a limit of detection of 0.76 ng L(-1). The linearity was obtained by five points in the concentration range of 5-30 ngL(-1). The enrichment factor was 320. The procedure was applied to wastewater and river water, and the accuracy was assessed through the analysis of the recovery experiments. PMID:26614355

  9. Flow-injection chemiluminescence determination of cloxacillin in water samples and pharmaceutical preparation by using CuO nanosheets-enhanced luminol-hydrogen peroxide system

    NASA Astrophysics Data System (ADS)

    Khataee, Alireza; Iranifam, Mortaza; Fathinia, Mehrangiz; Nikravesh, Mina

    2015-01-01

    In this paper, a rapid and sensitive flow-injection chemiluminescence (flow-CL) system was developed for the determination of cloxacillin sodium in environmental water samples and pharmaceutical preparations. The method was based on the enhancement effect of cloxacillin sodium on the CL reaction of luminal-H2O2-CuO nanosheets (NSs) in alkaline medium. The CuO nanosheets were synthesized using a green sonochemical method. The physical properties of the synthesized CuO nanosheets were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) analyses. The influences of various experimental factors such as H2O2, NaOH, luminol and CuO nanosheets concentrations were investigated. Under the optimum conditions, the enhanced CL intensity was linearly related to the concentration of cloxacillin sodium in the range of the 0.05-30.00 mg L-1 with a correlation coefficient of 0.995. The corresponding detection limit (3σ) was calculated to be 0.026 mg L-1. The relative standard deviation (RSD) of the developed method was 2.21% with 11 repeated measurements of 4.00 mg L-1 cloxacillin sodium. Also, a total analysis time per sample was 30 s which confirmed the rapidity of the proposed method. The analytical applicability of the proposed CL system was assessed by determining cloxacillin sodium in spiked environmental water samples and pharmaceutical preparation. Furthermore, the possible mechanism of CL reaction was discussed.

  10. Determination of Lead in Water Samples Using a New Vortex-Assisted, Surfactant-Enhanced Emulsification Liquid-Liquid Microextraction Combined with Graphite Furnace Atomic Absorption Spectrometry.

    PubMed

    Peng, Guilong; He, Qiang; Lu, Ying; Mmereki, Daniel; Pan, Weiliang; Tang, Xiaohui; Zhou, Guangming; Mao, Yufeng; Su, Xaioxuan

    2016-04-01

    A low toxic solvent-based vortex-assisted surfactant-enhanced emulsification liquid-liquid microextraction (LT-VSLLME) combined with graphite furnace atomic absorption spectrometry was developed for the extraction and determination of lead (Pb) in water samples. In the LT-VSLLME method, the extraction solvent was dispersed into the aqueous samples by the assistance of vortex agitator. Meanwhile, the addition of a surfactant, which acted as an emulsifier, could enhance the speed of the mass-transfer from aqueous samples to the extraction solvent. The influences of analytical parameters, including extraction solvent type and its volume, surfactant type and its volume, pH, concentration of chelating agent, salt effect and extraction time were investigated. Under the optimized conditions, a good relative standard deviation of 3.69% at 10 ng L(-1) was obtained. The calibration graph showed a linear pattern in the ranges of 5-30 ngL(-1), with a limit of detection of 0.76 ng L(-1). The linearity was obtained by five points in the concentration range of 5-30 ngL(-1). The enrichment factor was 320. The procedure was applied to wastewater and river water, and the accuracy was assessed through the analysis of the recovery experiments.

  11. Chemiluminescence determination of moxifloxacin in pharmaceutical and biological samples based on its enhancing effect of the luminol-ferricyanide system using a microfluidic chip.

    PubMed

    Suh, Yeoun Suk; Kamruzzaman, Mohammad; Alam, Al-Mahmnur; Lee, Sang Hak; Kim, Young Ho; Kim, Gyu-Man; Dang, Trung Dung

    2014-05-01

    A sensitive determination of a synthetic fluoroquinolone antibacterial agent, moxifloxacin (MOX), by an enhanced chemiluminescence (CL) method using a microfluidic chip is described. The microfluidic chip was fabricated by a soft-lithographic procedure using polydimethyl siloxane (PDMS). The fabricated PDMS microfluidic chip had three-inlet microchannels for introducing the sample, chemiluminescent reagent and oxidant, and a 500 µm wide, 250 µm deep and 82 mm long microchannel. An enhanced CL system, luminol-ferricyanide, was adopted to analyze the MOX concentration in a sample solution. CL light was emitted continuously after mixing luminol and ferricyanide in the presence of MOX on the PDMS microfluidic chip. The amount of MOX in the luminol-ferricyanide system influenced the intensity of the CL light. The linear range of MOX concentration was 0.14-55.0 ng/mL with a correlation coefficient of 0.9992. The limit of detection (LOD) and limit of quantification (LOQ) were 0.06 and 0.2 ng/mL respectively. The presented method afforded good reproducibility, with a relative standard deviation (RSD) of 1.05% for 10 ng/mL of MOX, and has been successfully applied for the determination of MOX in pharmaceutical and biological samples. PMID:23723140

  12. Analysis of highly saline samples by capillary zone electrophoresis: enhanced direct UV detection of inorganic anions using on-capillary preconcentration and clean-up techniques.

    PubMed

    Timerbaev, A R; Fukushi, K; Miyado, T; Ishio, N; Saito, K; Motomizu, S

    2000-08-01

    The ability to analyze samples with disparate levels of analyte and matrix ions is among the important benefits defining the practical utility of modern capillary electrophoresis. To compensate for the sensitivity limitations regarding trace-level inorganic anions, a number of on-line approaches that should offer an improved S/N ratio in direct UV detection were examined. The novel use of reversed pre-electrophoresis (at the applied voltage opposite to the separation voltage) made it possible to efficiently remove the most part of high chloride levels from the sample and hence to lower the background signal and to inject increased quantities of fast analyte anions. Specifically, by taking these advantages the sensitivity response of iodide was improved by a factor of 5 over normal CE mode. Using isotachophoretic sample stacking, a two-fold increase in detectability was obtained for moderately mobile anions, nitrate and nitrite, that corresponds to the minimum detectable concentrations close to their natural occurrences in seawater. Furthermore, field-amplified sample injection at increased electrolyte-to-sample matrix concentration ratios enabled the maximum S/N enhancement, with detection limits at the level of 10(-6) M and lower in the presence of > or = 5 x 10(4)-fold molar excess of chloride. PMID:10949497

  13. Free-Breathing Contrast-Enhanced Multiphase MRI of the Liver Using a Combination of Compressed Sensing, Parallel Imaging, and Golden-Angle Radial Sampling

    PubMed Central

    Chandarana, Hersh; Feng, Li; Block, Tobias K.; Rosenkrantz, Andrew B.; Lim, Ruth P.; Babb, James S.; Sodickson, Daniel K.; Otazo, Ricardo

    2013-01-01

    Objective The objectives of this study were to develop a new method for free-breathing contrast-enhanced multiphase liver magnetic resonance imaging (MRI) using a combination of compressed sensing, parallel imaging, and radial k-space sampling and to demonstrate the feasibility of this method by performing image quality comparison with breath-hold cartesian T1-weighted (conventional) postcontrast acquisitions in healthy participants. Materials and Methods This Health Insurance Portability and Accountability Act–compliant prospective study received approval from the institutional review board. Eight participants underwent 3 separate contrast-enhanced fat-saturated T1-weighted gradient-echo MRI examinations with matching imaging parameters: conventional breath-hold examination with cartesian k-space sampling volumetric interpolate breath hold examination (BH-VIBE) and free-breathing acquisitions with interleaved angle-bisection and continuous golden-angle radial sampling schemes. Interleaved angle-bisection and golden-angle data from each 100 consecutive spokes were reconstructed using a combination of compressed sensing and parallel imaging (interleaved-angle radial sparse parallel [IARASP] and golden-angle radial sparse parallel [GRASP]) to generate multiple postcontrast phases. Arterial- and venous-phase BH-VIBE, IARASP, and GRASP reconstructions were evaluated by 2 radiologists in a blinded fashion. The readers independently assessed quality of enhancement (QE), overall image quality (IQ), and other parameters of image quality on a 5-point scale, with the highest score indicating the most desirable examination. Mixed model analysis of variance was used to compare each measure of image quality. Results Images of BH-VIBE and GRASP had significantly higher QE and IQ values compared with IARASP for both phases (P < 0.05). The differences in QE between BH-VIBE and GRASP for the arterial and venous phases were not significant (P > 0.05). Although GRASP had lower IQ

  14. Method Comparison for Enhanced Recovery, Isolation and Qualitative Detection of C. jejuni and C. coli from Wastewater Effluent Samples

    PubMed Central

    Ugarte-Ruiz, María; Florez-Cuadrado, Diego; Wassenaar, Trudy M.; Porrero, María Concepción; Domínguez, Lucas

    2015-01-01

    Seeking a sensitive protocol, culture-dependent methods were compared to detect thermophilic Campylobacter species in untreated urban effluents. We evaluated various combinations of selective media, with and without an enrichment steps, as well as an extra filtration step. Culture-independent real-time quantitative PCR was also included and all detected isolates underwent antimicrobial susceptibility testing. All tested water samples contained Campylobacter DNA, but only 64% were positive after culture. Although enrichment using Preston broth resulted in better recovery of potentially stressed Campylobacter than Bolton or Campyfood broth (CFB), there was no significant increase in efficiency compared to direct plating. The type of selective agar media used, on the other hand, had a significant effect, with CASA plates performing better than mCCDA or CFA ones. Inclusion of an enrichment step increased the ratio of C. coli vs. C. jejuni being isolated. Resistances against all antimicrobials tested were observed in C. coli, but fewer instances of resistance were found in C. jejuni isolates. Whether this difference was the result of selection during the enrichment step could not be determined. The presence of Campylobacter in urban effluents can be considered as a valuable proxy for Campylobacter populations present in urban environments. PMID:25739008

  15. Method comparison for enhanced recovery, isolation and qualitative detection of C. jejuni and C. coli from wastewater effluent samples.

    PubMed

    Ugarte-Ruiz, María; Florez-Cuadrado, Diego; Wassenaar, Trudy M; Porrero, María Concepción; Domínguez, Lucas

    2015-03-02

    Seeking a sensitive protocol, culture-dependent methods were compared to detect thermophilic Campylobacter species in untreated urban effluents. We evaluated various combinations of selective media, with and without an enrichment steps, as well as an extra filtration step. Culture-independent real-time quantitative PCR was also included and all detected isolates underwent antimicrobial susceptibility testing. All tested water samples contained Campylobacter DNA, but only 64% were positive after culture. Although enrichment using Preston broth resulted in better recovery of potentially stressed Campylobacter than Bolton or Campyfood broth (CFB), there was no significant increase in efficiency compared to direct plating. The type of selective agar media used, on the other hand, had a significant effect, with CASA plates performing better than mCCDA or CFA ones. Inclusion of an enrichment step increased the ratio of C. coli vs. C. jejuni being isolated. Resistances against all antimicrobials tested were observed in C. coli, but fewer instances of resistance were found in C. jejuni isolates. Whether this difference was the result of selection during the enrichment step could not be determined. The presence of Campylobacter in urban effluents can be considered as a valuable proxy for Campylobacter populations present in urban environments.

  16. HyperSPASM NMR: A New Approach to Single-Shot 2D Correlations on DNP-Enhanced Samples

    PubMed Central

    Donovan, Kevin J.; Frydman, Lucio

    2016-01-01

    Dissolution DNP experiments are limited to a single or at most a few scan, before the non-Boltzmann magnetization has been. This makes it impractical to record 2D NMR data by conventional, t1-incremented schemes. Here a new approach termed HyperSPASM to establish 2D heteronuclear correlations in a single scan is reported, aimed at dealing with this kind of challenge. The HyperSPASM experiment relies on imposing an amplitude-modulation of the data by a single Δt1 indirect-domain evolution time, and subsequently monitoring the imparted encoding on separate echo and the anti-echo pathway signals within a single continuous acquisition. This is implemented via the use of alternating, switching, coherence selection gradients. As a result of these manipulations the phase imparted by a heteronucleus over its indirect domain evolution can be accurately extracted, and 2D data unambiguously reconstructed with a single-shot excitation. The nature of this sequence makes the resulting experiment particularly well suited for the collecting indirectly-detected HSQC data on hyperpolarized samples. The potential of the ensuing “HyperSPASM” method is exemplified with natural-abundance hyperpolarized correlations on model systems. PMID:23159821

  17. Capillary zone electrophoresis with field enhanced sample stacking as a tool for targeted metabolome analysis of adenine nucleotides and coenzymes in Paracoccus denitrificans.

    PubMed

    Musilová, Jindra; Sedlácek, Vojtech; Kucera, Igor; Glatz, Zdenek

    2009-07-01

    The main aim of this work was to demonstrate the applicability of capillary zone electrophoresis in combination with field enhanced sample stacking in targeted metabolome analyses of adenine nucleotides--AMP, ADP, ATP, coenzymes NAD(+), NADP(+) and their reduced forms in Paracoccus denitrificans. Sodium carbonate/hydrogencarbonate buffer (100 mM, pH 9.6) with the addition of beta-CD at a concentration of 10 mM was found to be an effective BGE for their separation within 20 min. Besides this, special attention was paid to the development of the procedure for the extraction of specific metabolites from the bacterium P. denitrificans. This procedure was not only optimised to achieve the highest metabolite yields but also to obtain a sample that was fully compatible with the online preconcetration strategy used. The developed methodology was finally applied in a study of the bacterium P. denitrificans at various stages of the active respiratory chain.

  18. Searching for Li-rich giants in a sample of 12 open clusters. Li enhancement in two stars with substellar companions

    NASA Astrophysics Data System (ADS)

    Delgado Mena, E.; Tsantaki, M.; Sousa, S. G.; Kunitomo, M.; Adibekyan, V.; Zaworska, P.; Santos, N. C.; Israelian, G.; Lovis, C.

    2016-03-01

    Aims: The aim of this work is to search for Li-rich giants in a sample of clusters where planets have been searched, thus we can study the planet engulfment scenario to explain Li replenishment using a proper comparison sample of stars without detected giant planets. Methods: We derived Li abundances for a sample of 67 red giant stars in 12 different open clusters using standard spectral synthesis techniques and high-resolution spectra (from HARPS and UVES). We also determined masses, ages, and radius from PARSEC stellar isochrones to constrain the evolutionary stage of these stars. Results: We found three stars in different clusters with clearly enhanced Li abundances compared to other stars within the cluster. Interestingly, the only two stars with a detected substellar companion in our sample belong to that group. One of the planet hosts, NGC 2423 No. 3, might lie close to the luminosity bump on the HR diagram, a phase where Li production by the Cameron-Fowler process is supported by extra-mixing to bring fresh Li up to the surface. On the other hand, NGC 4349 No. 127 is a more massive and more evolved giant that does not seem to be in the evolutionary phase where other Li-rich stars are found. We discuss the possibility that the Li enhancement of this star is triggered by the engulfment of a planet, considering that close-in planets hardly survive the RGB tip and the early AGB phases. Based on observations collected at the La Silla Observatory, ESO (Chile), with HARPS/3.6 m (runs ID 075.C-0140, 076.C-0429, 077.C-0088, and 078.C-0133) and with UVES/VLT at the Cerro Paranal Observatory (run 079.C-0131).

  19. Adrenal venous sampling for stratifying patients for surgery of adrenal nodules detected using dynamic contrast enhanced CT

    PubMed Central

    Kim, Jin Young; Kim, See Hyung; Lee, Hee Jung; Kim, Young Hwan; Kim, Mi Jeong; Cho, Seung Hyun

    2014-01-01

    PURPOSE We aimed to assess the value of adrenal venous sampling (AVS) for diagnosing primary aldosteronism (PA) subtypes in patients with a unilateral nodule detected on adrenal computed tomography (CT) and scheduled for adrenalectomy. MATERIALS AND METHODS This retrospective study included 80 consecutive patients with PA undergoing CT and AVS. Different lateralization indices were assessed, and a cutoff established using receiver operating characteristic curve analysis. The value of CT alone versus CT with AVS for differentiating PA subtypes was compared. The adrenalectomy outcome was assessed, and predictors of cure were determined using univariate analysis. RESULTS AVS was successful in 68 patients. A cortisol-corrected aldosterone affected-to-unaffected ratio cutoff of 2.0 and affected-to-inferior vena cava ratio cutoff of 1.4 were the best lateralization indices, with accuracies of 82.5% and 80.4%, respectively. CT and AVS diagnosed 38 patients with aldosterone-producing adenomas, five patients with unilateral adrenal hyperplasia, and 25 patients with bilateral adrenal hyperplasia. Of the 52 patients with a nodule detected on CT, subsequent AVS diagnosed bilateral adrenal hyperplasia in 14 patients (27%). Compared to the results of combining CT with AVS, the accuracy of CT alone for diagnosing aldosterone-producing adenomas was 71.1% (P < 0.001). The cure rate for hypertension after adrenalectomy was 39.2%, with improvement in 53.5% of patients. On univariate analysis, predictors of persistent hypertension were male gender and preoperative systolic blood pressure. CONCLUSION To avoid inappropriate surgery, AVS is necessary for diagnosing unilateral nodules with aldosterone hypersecretion detected by CT. PMID:24047720

  20. Structure change of β-hairpin induced by turn optimization: an enhanced sampling molecular dynamics simulation study.

    PubMed

    Shao, Qiang; Yang, Lijiang; Gao, Yi Qin

    2011-12-21

    Our previous study showed that for the tested polypeptides which have similar β-hairpin structures but different sequences, their folding free energy pathways are dominantly determined by the turn conformational propensity. In this study, we study how the turn conformational propensity affects the structure of hairpins. The folding of two mutants of GB1p peptide (GB1m2 and GB1m3), which have the optimized turn sequence ((6)DDATK(11)T → (6)NPATG(11)K) with native structures unsolved, were simulated using integrated tempering sampling molecular dynamics simulations and the predicted stable structures were compared to wild-type GB1p. It was observed that the turn optimization of GB1p generates a more favored 5-residue type I(') turn in addition to the 6-residue type I turn in wild-type GB1p. As a result two distinctly different hairpin structures are formed corresponding to the "misfolded" (M) and the "folded" (F) states. M state is a one-residue-shifted asymmetric β-hairpin structure whereas F state has the similar symmetric hairpin structure as wild-type GB1p. The formation of the favored type I(') turn has a small free energy barrier and leads to the shifted β-hairpin structure, following the modified "zipping" model. The presence of disfavored type I turn structure makes the folding of a β-hairpin consistent with the "hydrophobic-core-centric" model. On the other hand, the folding simulations on other two GB1p mutants (GB1r1 and GBr2), which have the position of the hydrophobic core cluster further away from the turn compared to wild-type GB1p, showed that moving the hydrophobic core cluster away from the turn region destabilizes but does not change the hairpin structure. Therefore, the present study showed that the turn conformational propensity is a key factor in affecting not only the folding pathways but also the stable structure of β-hairpins, and the turn conformational change induced by the turn optimization leads to significant changes of

  1. Effective extraction of triazines from environmental water samples using magnetism-enhanced monolith-based in-tube solid phase microextraction.

    PubMed

    Mei, Meng; Huang, Xiaojia; Yang, Xiaodong; Luo, Qing

    2016-09-21

    This article reports on the effective extraction of triazines from environmental water samples using magnetism-enhanced monolith-based in-tube solid phase microextraction (ME-MB/IT-SPME). Firstly, monolithic poly (octyl methacrylate-co-ethyleneglycol dimethacrylate) capillary column doped with magnetic nanoparticles was synthesized inside a fused silica. After that, the monolithic capillary column was placed inside a magnetic coil that allowed the exertion of a variable magnetic field during adsorption and desorption steps. The effects of intensity of magnetic field, adsorption and desorption flow rate, volume of sample and desorption solvent, pH value and ionic strength in sample matrix on the performance of ME-MB/IT-SPME for triazines were investigated in details. Under the optimized conditions, the developed ME-MB/IT-SPME showed satisfactory quantitative extraction efficiencies of the target analytes between 64.8% and 99.7%. At the same time, the ME-MB/IT-SPME was combined with high-performance liquid chromatography with diode array detection to detect six triazines in water samples. The limits of detection (S/N = 3) and limits of quantification (S/N = 10) were in the ranges of 0.074-0.23 μg/L and 0.24-0.68 μg/L, respectively. The precision of the proposed method was evaluated in terms of intra- and inter-assay variability calculated as relative standard deviation, and it was found that the values were all below 10%. Finally, the developed method was successfully applied for environmental water samples such as farmland, lake and river water with spiked recoveries in the range of 70.7-119%. PMID:27590547

  2. Effective extraction of triazines from environmental water samples using magnetism-enhanced monolith-based in-tube solid phase microextraction.

    PubMed

    Mei, Meng; Huang, Xiaojia; Yang, Xiaodong; Luo, Qing

    2016-09-21

    This article reports on the effective extraction of triazines from environmental water samples using magnetism-enhanced monolith-based in-tube solid phase microextraction (ME-MB/IT-SPME). Firstly, monolithic poly (octyl methacrylate-co-ethyleneglycol dimethacrylate) capillary column doped with magnetic nanoparticles was synthesized inside a fused silica. After that, the monolithic capillary column was placed inside a magnetic coil that allowed the exertion of a variable magnetic field during adsorption and desorption steps. The effects of intensity of magnetic field, adsorption and desorption flow rate, volume of sample and desorption solvent, pH value and ionic strength in sample matrix on the performance of ME-MB/IT-SPME for triazines were investigated in details. Under the optimized conditions, the developed ME-MB/IT-SPME showed satisfactory quantitative extraction efficiencies of the target analytes between 64.8% and 99.7%. At the same time, the ME-MB/IT-SPME was combined with high-performance liquid chromatography with diode array detection to detect six triazines in water samples. The limits of detection (S/N = 3) and limits of quantification (S/N = 10) were in the ranges of 0.074-0.23 μg/L and 0.24-0.68 μg/L, respectively. The precision of the proposed method was evaluated in terms of intra- and inter-assay variability calculated as relative standard deviation, and it was found that the values were all below 10%. Finally, the developed method was successfully applied for environmental water samples such as farmland, lake and river water with spiked recoveries in the range of 70.7-119%.

  3. Magnetically assisted solid phase extraction using Fe3O4 nanoparticles combined with enhanced spectrofluorimetric detection for aflatoxin M1 determination in milk samples.

    PubMed

    Taherimaslak, Zohreh; Amoli-Diva, Mitra; Allahyary, Mehdi; Pourghazi, Kamyar

    2014-09-01

    A novel, facile and inexpensive solid phase extraction (SPE) method using ethylene glycol bis-mercaptoacetate modified 3-(trimethoxysilyl)-1-propanethiol grafted Fe(3)O(4) nanoparticles coupled with spectrofluorimetric detection was proposed for determination of aflatoxin M1 (AFM1) in liquid milk samples. The method uses the advantage fluorescence enhancement by β-cyclodexterin complexation of AFM1 in 12% (v/v) acetonitrile-water and the remarkable properties of Fe(3)O(4) nanoparticles namely high surface area and strong magnetization were utilized to achieve high enrichment factor (57) and satisfactory extraction recoveries (91-102%) using only 100 mg of magnetic adsorbent. Furthermore, fast separation time of about 15 min avoids many time-consuming column-passing procedures of conventional SPE. The main factors affecting extraction efficiency including pH value, desorption conditions, extraction/desorption time, sample volume, and adsorbent amount were evaluated and optimized. Under the optimal conditions, a wide linear range of 0.04-8 ng mL(-1) with a low detection limit of 0.015 ng mL(-1) was obtained. The developed method was applied for extraction and preconcentration of AFM1 in three commercially available milk samples and the results were compared with the official AOAC method.

  4. A competitive immunoassay for ultrasensitive detection of Hg(2+) in water, human serum and urine samples using immunochromatographic test based on surface-enhanced Raman scattering.

    PubMed

    She, Pei; Chu, Yanxin; Liu, Chunwei; Guo, Xun; Zhao, Kang; Li, Jianguo; Du, Haijing; Zhang, Xiang; Wang, Hong; Deng, Anping

    2016-02-01

    An immunochromatographic test (ICT) strip was developed for ultrasensitive competitive immunoassay of Hg(2+). This strategy was achieved by combining the easy-operation and rapidity of ICT with the high sensitivity of surface-enhanced Raman scattering (SERS). Monoclonal antibody (mAb) against Hg(2+) and Raman active substance 4-mercaptobenzoic acid (MBA) dual labelled gold nanoparticles (GNPs) were prepared as an immunoprobe. The Raman scattering intensity of MBA on the test line of the ICT strip was measured for quantitative determination of Hg(2+). The ICT was able to directly detect Hg(2+) without complexing due to the specific recognition of the mAb with Hg(2+). The IC50 and limit of detection (LOD) of the assay for Hg(2+) detection were 0.12 ng mL(-1) and 0.45 pg mL(-1), respectively. There was no cross-reactivity (CR) of the assay with other nineteen ions and the ICT strips could be kept for 5 weeks without loss of activity. The recoveries of the assay for water, human serum and urine samples spiked with Hg(2+) were in range of 88.3-107.3% with the relative standard deviations (RSD) of 1.5-9.5% (n = 3). The proposed ICT was used for the detection of Hg(2+) in urine samples collected from Occupational Disease Hospital and the results were confirmed by cold-vapor atomic fluorescence spectroscopy (CV-AFS). The assay exhibited high sensitivity, selectivity, stability, precision and accuracy, demonstrating a promising method for the detection of trace amount of Hg(2+) in environmental water samples and biological serum and urine samples.

  5. Enhanced Sampling of an Atomic Model with Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulations Guided by a Coarse-Grained Model.

    PubMed

    Chen, Yunjie; Roux, Benoît

    2015-08-11

    Molecular dynamics (MD) trajectories based on a classical equation of motion provide a straightforward, albeit somewhat inefficient approach, to explore and sample the configurational space of a complex molecular system. While a broad range of techniques can be used to accelerate and enhance the sampling efficiency of classical simulations, only algorithms that are consistent with the Boltzmann equilibrium distribution yield a proper statistical mechanical computational framework. Here, a multiscale hybrid algorithm relying simultaneously on all-atom fine-grained (FG) and coarse-grained (CG) representations of a system is designed to improve sampling efficiency by combining the strength of nonequilibrium molecular dynamics (neMD) and Metropolis Monte Carlo (MC). This CG-guided hybrid neMD-MC algorithm comprises six steps: (1) a FG configuration of an atomic system is dynamically propagated for some period of time using equilibrium MD; (2) the resulting FG configuration is mapped onto a simplified CG model; (3) the CG model is propagated for a brief time interval to yield a new CG configuration; (4) the resulting CG configuration is used as a target to guide the evolution of the FG system; (5) the FG configuration (from step 1) is driven via a nonequilibrium MD (neMD) simulation toward the CG target; (6) the resulting FG configuration at the end of the neMD trajectory is then accepted or rejected according to a Metropolis criterion before returning to step 1. A symmetric two-ends momentum reversal prescription is used for the neMD trajectories of the FG system to guarantee that the CG-guided hybrid neMD-MC algorithm obeys microscopic detailed balance and rigorously yields the equilibrium Boltzmann distribution. The enhanced sampling achieved with the method is illustrated with a model system with hindered diffusion and explicit-solvent peptide simulations. Illustrative tests indicate that the method can yield a speedup of about 80 times for the model system and up

  6. Enhanced Sampling of an Atomic Model with Hybrid Nonequilibrium Molecular Dynamics—Monte Carlo Simulations Guided by a Coarse-Grained Model

    PubMed Central

    2015-01-01

    Molecular dynamics (MD) trajectories based on a classical equation of motion provide a straightforward, albeit somewhat inefficient approach, to explore and sample the configurational space of a complex molecular system. While a broad range of techniques can be used to accelerate and enhance the sampling efficiency of classical simulations, only algorithms that are consistent with the Boltzmann equilibrium distribution yield a proper statistical mechanical computational framework. Here, a multiscale hybrid algorithm relying simultaneously on all-atom fine-grained (FG) and coarse-grained (CG) representations of a system is designed to improve sampling efficiency by combining the strength of nonequilibrium molecular dynamics (neMD) and Metropolis Monte Carlo (MC). This CG-guided hybrid neMD-MC algorithm comprises six steps: (1) a FG configuration of an atomic system is dynamically propagated for some period of time using equilibrium MD; (2) the resulting FG configuration is mapped onto a simplified CG model; (3) the CG model is propagated for a brief time interval to yield a new CG configuration; (4) the resulting CG configuration is used as a target to guide the evolution of the FG system; (5) the FG configuration (from step 1) is driven via a nonequilibrium MD (neMD) simulation toward the CG target; (6) the resulting FG configuration at the end of the neMD trajectory is then accepted or rejected according to a Metropolis criterion before returning to step 1. A symmetric two-ends momentum reversal prescription is used for the neMD trajectories of the FG system to guarantee that the CG-guided hybrid neMD-MC algorithm obeys microscopic detailed balance and rigorously yields the equilibrium Boltzmann distribution. The enhanced sampling achieved with the method is illustrated with a model system with hindered diffusion and explicit-solvent peptide simulations. Illustrative tests indicate that the method can yield a speedup of about 80 times for the model system and up

  7. Enhanced amperometric detection of metronidazole in drug formulations and urine samples based on chitosan protected tetrasulfonated copper phthalocyanine thin-film modified glassy carbon electrode.

    PubMed

    Meenakshi, S; Pandian, K; Jayakumari, L S; Inbasekaran, S

    2016-02-01

    An enhanced electrocatalytic reduction of metronidazole antibiotic drug molecule using chitosan protected tetrasulfonated copper phthalocyanine (Chit/CuTsPc) thin-film modified glassy carbon electrode (GCE) has been developed. An irreversible reduction occurs at -0.47V (vs. Ag/AgCl) using Chit/CuTsPc modified GCE. A maximum peak current value is obtained at pH1 and the electrochemical reduction reaction is a diffusion controlled one. The detection limit is found to be 0.41nM from differential pulse voltammetry (DPV) method. This present investigation method is adopted for electrochemical detection of metronidazole in drug formulation and urine samples by using DPV method.

  8. Enhanced amperometric detection of metronidazole in drug formulations and urine samples based on chitosan protected tetrasulfonated copper phthalocyanine thin-film modified glassy carbon electrode.

    PubMed

    Meenakshi, S; Pandian, K; Jayakumari, L S; Inbasekaran, S

    2016-02-01

    An enhanced electrocatalytic reduction of metronidazole antibiotic drug molecule using chitosan protected tetrasulfonated copper phthalocyanine (Chit/CuTsPc) thin-film modified glassy carbon electrode (GCE) has been developed. An irreversible reduction occurs at -0.47V (vs. Ag/AgCl) using Chit/CuTsPc modified GCE. A maximum peak current value is obtained at pH1 and the electrochemical reduction reaction is a diffusion controlled one. The detection limit is found to be 0.41nM from differential pulse voltammetry (DPV) method. This present investigation method is adopted for electrochemical detection of metronidazole in drug formulation and urine samples by using DPV method. PMID:26652358

  9. Synergistic enhancement effect of room temperature ionic liquids for cloud point extraction combined with UV-vis spectrophotometric determination nickel in environmental samples

    NASA Astrophysics Data System (ADS)

    Zeng, Chujie; Xu, Xili; Zhou, Neng; Lin, Yao

    A new method based on enhancement effect of room temperature ionic liquids for cloud point extraction trace amounts of nickel combined with UV-vis spectrophotometric determination was developed. Room temperature ionic liquids (RTILs) and diethyldithiocarbamate (DDTC) were used enhancement reagent and chelating reagent, respectively. The addition of room temperature ionic liquids leads to 3.0 times improvement in the determination of nickel. The nonionic surfactant Triton X-100 was used as the extractant. When the temperature of the system was higher than the cloud point of Triton X-100, Ni-DTC complex was extracted into Triton X-100 and separation of the analyte from the matrix was achieved. Some parameters that influenced cloud point extraction and subsequent determination were evaluated in detail, such as the concentrations of RTILs, DDTC and Triton X-100; pH of sample solution, as well as interferences. Under optimized conditions, an enrichment factor of 72 could be obtained, and the detection limit (LOD) for Ni was 0.5 ng mL-1. Relative standard deviations for five replicate determinations of the standard solution containing 50 ng mL-1 Ni was 3.9%. The proposed method was successfully applied to the determination of nickel in certified reference materials with satisfactory results.

  10. Sampling Development

    PubMed Central

    Adolph, Karen E.; Robinson, Scott R.

    2011-01-01

    Research in developmental psychology requires sampling at different time points. Accurate depictions of developmental change provide a foundation for further empirical studies and theories about developmental mechanisms. However, overreliance on widely spaced sampling intervals in cross-sectional and longitudinal designs threatens the validity of the enterprise. This article discusses how to sample development in order to accurately discern the shape of developmental change. The ideal solution is daunting: to summarize behavior over 24-hour intervals and collect daily samples over the critical periods of change. We discuss the magnitude of errors due to undersampling, and the risks associated with oversampling. When daily sampling is not feasible, we offer suggestions for sampling methods that can provide preliminary reference points and provisional sketches of the general shape of a developmental trajectory. Denser sampling then can be applied strategically during periods of enhanced variability, inflections in the rate of developmental change, or in relation to key events or processes that may affect the course of change. Despite the challenges of dense repeated sampling, researchers must take seriously the problem of sampling on a developmental time scale if we are to know the true shape of developmental change. PMID:22140355

  11. Evaluation of Dietary Supplement Contamination by Xenobiotic and Essential Elements Using Microwave-Enhanced Sample Digestion and Inductively Coupled Plasma-Mass Spectrometry.

    PubMed

    Zinn, Gregory M; Rahman, G M Mizanur; Faber, Scott; Wolle, Mesay Mulugeta; Pamuku, Matt; Kingston, H M Skip

    2016-01-01

    Dietary supplements were analyzed by evaluating the elemental content in six widely consumed products manufactured by four well-known companies. The elements included the neurotoxic and carcinogenic elements cadmium, mercury, aluminum, lead, arsenic, and antimony, as well as the essential elements zinc, selenium, chromium, iron, and copper, which were often not listed as ingredients on the product labels. Contamination from either xenobiotic or essential elements was found in all samples analyzed. The samples were prepared using US Environmental Protection Agency (EPA) Method 3052, microwave-enhanced digestion. The resulting digests were analyzed by Inductively Coupled Plasma-Mass Spectrometry based on EPA Method 6020B. The analytical protocols were validated by analyzing a multivitamin standard reference material, the National Institute of Standards and Technology Standard Reference Material 3280. The application of EPA standard methods demonstrated their utility in making accurate and precise measurements in complex matrices with multiple ingredients and excipients. In the future, the use of these methods could provide a uniform quality assurance protocol that can be implemented along with other industry guidelines to improve the production of dietary supplements.

  12. Carbon-enhanced metal-poor stars: a window on AGB nucleosynthesis and binary evolution. II. Statistical analysis of a sample of 67 CEMP-s stars

    NASA Astrophysics Data System (ADS)

    Abate, C.; Pols, O. R.; Izzard, R. G.; Karakas, A. I.

    2015-09-01

    Many of the carbon-enhanced metal-poor (CEMP) stars that we observe in the Galactic halo are found in binary systems and show enhanced abundances of elements produced by the slow neutron-capture process (s-elements). The origin of the peculiar chemical abundances of these CEMP-s stars is believed to be accretion in the past of enriched material from a primary star in the asymptotic giant branch (AGB) phase of its evolution.We investigate the mechanism of mass transfer and the process of nucleosynthesis in low-metallicity AGB stars by modelling the binary systems in which the observed CEMP-s stars were formed.For this purpose we compare a sample of 67 CEMP-s stars with a grid of binary stars generated by our binary evolution and nucleosynthesis model. We classify our sample CEMP-s stars in three groups based on the observed abundance of europium. In CEMP-s/r stars the europium-to-iron ratio is more than ten times higher than in the Sun, whereas it is lower than this threshold in CEMP-s/nr stars. No measurement of europium is currently available for CEMP-s/ur stars.On average our models reproduce the abundances observed in CEMP-s/nr stars well, whereas in CEMP-s/r stars and CEMP-s/ur stars the abundances of the light-s elements (strontium, yttrium, zirconium) are systematically overpredicted by our models, and in CEMP-s/r stars the abundances of the heavy-s elements (barium, lanthanum) are underestimated. In all stars our modelled abundances of sodium overestimate the observations. This discrepancy is reduced only in models that underestimate the abundances of most of the s-elements. Furthermore, the abundance of lead is underpredicted in most of our model stars, independent of the metallicity. These results point to the limitations of our AGB nucleosynthesis model, particularly in the predictions of the element-to-element ratios. In our models CEMP-s stars are typically formed in wide systems with periods above 10 000 days, while most of the observed CEMP-s stars

  13. Ab initio molecular dynamics with enhanced sampling for surface reaction kinetics at finite temperatures: CH2⇌ CH + H on Ni(111) as a case study.

    PubMed

    Sun, Geng; Jiang, Hong

    2015-12-21

    A comprehensive understanding of surface thermodynamics and kinetics based on first-principles approaches is crucial for rational design of novel heterogeneous catalysts, and requires combining accurate electronic structure theory and statistical mechanics modeling. In this work, ab initio molecular dynamics (AIMD) combined with the integrated tempering sampling (ITS) method has been explored to study thermodynamic and kinetic properties of elementary processes on surfaces, using a simple reaction CH2⇌CH+H on the Ni(111) surface as an example. By a careful comparison between the results from ITS-AIMD simulation and those evaluated in terms of the harmonic oscillator (HO) approximation, it is found that the reaction free energy and entropy from the HO approximation are qualitatively consistent with the results from ITS-AIMD simulation, but there are also quantitatively significant discrepancies. In particular, the HO model misses the entropy effects related to the existence of multiple adsorption configurations arising from the frustrated translation and rotation motion of adsorbed species, which are different in the reactant and product states. The rate constants are evaluated from two ITS-enhanced approaches, one using the transition state theory (TST) formulated in terms of the potential of mean force (PMF) and the other one combining ITS with the transition path sampling (TPS) technique, and are further compared to those based on harmonic TST. It is found that the rate constants from the PMF-based TST are significantly smaller than those from the harmonic TST, and that the results from PMF-TST and ITS-TPS are in a surprisingly good agreement. These findings indicate that the basic assumptions of transition state theory are valid in such elementary surface reactions, but the consideration of statistical averaging of all important adsorption configurations and reaction pathways, which are missing in the harmonic TST, are critical for accurate description of

  14. Determination of melamine in soil samples using surfactant-enhanced hollow fiber liquid phase microextraction followed by HPLC–UV using experimental design

    PubMed Central

    Sarafraz Yazdi, Ali; Raouf Yazdinezhad, Samaneh; Heidari, Tahereh

    2014-01-01

    Surfactant-enhanced hollow fiber liquid phase (SE-HF-LPME) microextraction was applied for the extraction of melamine in conjunction with high performance liquid chromatography with UV detection (HPLC–UV). Sodium dodecyl sulfate (SDS) was added firstly to the sample solution at pH 1.9 to form hydrophobic ion-pair with protonated melamine. Then the protonated melamine–dodecyl sulfate ion-pair (Mel–DS) was extracted from aqueous phase into organic phase immobilized in the pores and lumen of the hollow fiber. After extraction, the analyte-enriched 1-octanol was withdrawn into the syringe and injected into the HPLC. Preliminary, one variable at a time method was applied to select the type of extraction solvent. Then, in screening step, the other variables that may affect the extraction efficiency of the analyte were studied using a fractional factorial design. In the next step, a central composite design was applied for optimization of the significant factors having positive effects on extraction efficiency. The optimum operational conditions included: sample volume, 5 mL; surfactant concentration, 1.5 mM; pH 1.9; stirring rate, 1500 rpm and extraction time, 60 min. Using the optimum conditions, the method was analytically evaluated. The detection limit, relative standard deviation and linear range were 0.005 μg mL−1, 4.0% (3 μg mL−1, n = 5) and 0.01–8 μg mL−1, respectively. The performance of the procedure in extraction of melamine from the soil samples was good according to its relative recoveries in different spiking levels (95–109%). PMID:26644934

  15. In-situ formation of ion-association nanoparticles induced enhancements of resonance Rayleigh scattering intensities for quantitative analysis of trace Hg2 + ions in environmental samples

    NASA Astrophysics Data System (ADS)

    Yang, Qingling; Liu, Jian; Li, Banglin; Hu, Xiaoli; Liu, Shaopu; Chen, Gangcai

    2016-10-01

    In this paper, Hg2 + ions are demonstrated to form anionic [HgI4]2 - complexes after interacting with massive amount of I- ions. Subsequently, the addition of tetradecyl pyridyl bromide (TPB) can make [HgI4]2 - anionic complexes react with univalent tetradecyl pyridyl cationic ions (TP+), forming dispersed ion-association complexes (TP)2(HgI4). Due to the extrusion action of water and Van der Waals force, the hydrophobic ion-association complexes aggregate together, forming dispersed nanoparticles with an average size of about 8.5 nm. Meanwhile, resonance Rayleigh scattering (RRS) intensity is apparently enhanced due to the formation of (TP)2(HgI4) ion-association nanoparticles, contributing to a novel technique for Hg2 + detection. The wavelength of 365 nm is chosen as a detection wavelength and several conditions affecting the RRS responses of Hg2 + are optimized. Under the optimum condition, the developed method is used for the determination of Hg2 + in aqueous solution and the detection limit is estimated to be 0.8 ng mL- 1. Finally, the practical application of the developed method can be confirmed through the detections of Hg2 + in waste and river water samples with satisfactory results.

  16. Diagnostic potential for gold nanoparticle-based surface-enhanced Raman spectroscopy to provide colorectal cancer screening using blood serum sample

    NASA Astrophysics Data System (ADS)

    Lin, Duo; Feng, Shangyuan; Pan, Jianji; Chen, Yanping; Lin, Juqiang; Sun, Liqing; Chen, Rong

    2012-03-01

    Surface-enhanced Raman spectroscopy (SERS) is a vibrational spectroscopic technique that is capable of probing the biomolecular changes associated with diseased transformation. The objective of our study was to explore gold nanoparticle based SERS to obtain blood serum biochemical information for non-invasive colorectal cancer detection. SERS measurements were performed on two groups of blood serum samples: one group from patients (n = 38) with pathologically confirmed colorectal cancer and the other group from healthy volunteers (control subjects, n = 45). Tentative assignments of the Raman bands in the measured SERS spectra suggested interesting cancer specific biomolecular changes, including an increase in the relative amounts of nucleic acid, a decrease in the percentage of saccharide and proteins contents in the blood serum of colorectal cancer patients as compared to that of healthy subjects. Principal component analysis (PCA) of the measured SERS spectra separated the spectral features of the two groups into two distinct clusters with little overlaps. Linear discriminate analysis (LDA) based on the PCA generated features differentiated the nasopharyngeal cancer SERS spectra from normal SERS spectra with high sensitivity (97.4%) and specificity (100%). The results from this exploratory study demonstrated that gold nanoparticle based SERS serum analysis combined with PCA-LDA has tremendous potential for the non-invasive detection of colorectal cancers.

  17. Diagnostic potential for gold nanoparticle-based surface-enhanced Raman spectroscopy to provide colorectal cancer screening using blood serum sample

    NASA Astrophysics Data System (ADS)

    Lin, Duo; Feng, Shangyuan; Pan, Jianji; Chen, Yanping; Lin, Juqiang; Sun, Liqing; Chen, Rong

    2011-11-01

    Surface-enhanced Raman spectroscopy (SERS) is a vibrational spectroscopic technique that is capable of probing the biomolecular changes associated with diseased transformation. The objective of our study was to explore gold nanoparticle based SERS to obtain blood serum biochemical information for non-invasive colorectal cancer detection. SERS measurements were performed on two groups of blood serum samples: one group from patients (n = 38) with pathologically confirmed colorectal cancer and the other group from healthy volunteers (control subjects, n = 45). Tentative assignments of the Raman bands in the measured SERS spectra suggested interesting cancer specific biomolecular changes, including an increase in the relative amounts of nucleic acid, a decrease in the percentage of saccharide and proteins contents in the blood serum of colorectal cancer patients as compared to that of healthy subjects. Principal component analysis (PCA) of the measured SERS spectra separated the spectral features of the two groups into two distinct clusters with little overlaps. Linear discriminate analysis (LDA) based on the PCA generated features differentiated the nasopharyngeal cancer SERS spectra from normal SERS spectra with high sensitivity (97.4%) and specificity (100%). The results from this exploratory study demonstrated that gold nanoparticle based SERS serum analysis combined with PCA-LDA has tremendous potential for the non-invasive detection of colorectal cancers.

  18. Flow Measurements and selection of body-body and tip-tip enhanced samples in U+U collisions at STAR

    NASA Astrophysics Data System (ADS)

    Wang, Hui; STAR Collaboration

    2014-09-01

    The azimuthal anisotropy of particle production is commonly used in high-energy nuclear collisions to study the early evolution of the system. The prolate shape of uranium nuclei provides the possibility to study how the initial geometry of the nuclei affects the azimuthal distributions. It also provides a unique opportunity to understand the initial conditions for particle production at mid-rapidity in heavy ion collisions. In this talk, the two- and four- particle cumulant, v2 { 2 } and v2 { 4 } , from U+U collisions at √{sNN} = 193 GeV and Au+Au collisions at √{sNN} = 200 GeV for inclusive charged hadrons will be presented. The STAR Zero Degree Calorimeter is used to subdivide the 0-1% centrality bin into even finer centralities. Differences were observed between the multiplicity dependence of v2 { 2 } for most central Au+Au and U+U collisions. Data were compared with both Monte Carlo Glauber and IP-Glasma models and it was seen that IP-Glasma model does a better job of describing data. It has also been demonstrated that ZDC and multiplicity in combination provide a way to select body-body or tip-tip enhanced samples of central U+U collisions. We will also present preliminary v3 { 2 } results for inclusive charged hadrons from Au+Au and U+U collisions.

  19. Electrochemical determination of Sudan I in food samples at graphene modified glassy carbon electrode based on the enhancement effect of sodium dodecyl sulphonate.

    PubMed

    Ma, Xinying; Chao, Mingyong; Wang, Zhaoxia

    2013-06-01

    This paper describes a novel electrochemical method for the determination of Sudan I in food samples based on the electrochemical catalytic activity of graphene modified glassy carbon electrode (GMGCE) and the enhancement effect of an anionic surfactant: sodium dodecyl sulphonate (SDS). Using pH 6.0 phosphate buffer solution (PBS) as supporting electrolyte and in the presence of 1.5 × 10(-4)mol L(-1) SDS, Sudan I yielded a well-defined and sensitive oxidation peak at a GMGCE. The oxidation peak current of Sudan I remarkably increased in the presence of SDS. The experimental parameters, such as supporting electrolyte, concentration of SDS, and accumulation time, were optimised for Sudan I determination. The oxidation peak current showed a linear relationship with the concentrations of Sudan I in the range of 7.50 × 10(-8)-7.50 × 10(-6)mol L(-1), with the detection limit of 4.0 × 10(-8)mol L(-1). This new voltammetric method was successfully used to determine Sudan I in food products such as ketchup and chili sauce with satisfactory results. PMID:23411169

  20. In-situ formation of ion-association nanoparticles induced enhancements of resonance Rayleigh scattering intensities for quantitative analysis of trace Hg(2+) ions in environmental samples.

    PubMed

    Yang, Qingling; Liu, Jian; Li, Banglin; Hu, Xiaoli; Liu, Shaopu; Chen, Gangcai

    2016-10-01

    In this paper, Hg(2+) ions are demonstrated to form anionic [HgI4](2-) complexes after interacting with massive amount of I(-) ions. Subsequently, the addition of tetradecyl pyridyl bromide (TPB) can make [HgI4](2-) anionic complexes react with univalent tetradecyl pyridyl cationic ions (TP(+)), forming dispersed ion-association complexes (TP)2(HgI4). Due to the extrusion action of water and Van der Waals force, the hydrophobic ion-association complexes aggregate together, forming dispersed nanoparticles with an average size of about 8.5nm. Meanwhile, resonance Rayleigh scattering (RRS) intensity is apparently enhanced due to the formation of (TP)2(HgI4) ion-association nanoparticles, contributing to a novel technique for Hg(2+) detection. The wavelength of 365nm is chosen as a detection wavelength and several conditions affecting the RRS responses of Hg(2+) are optimized. Under the optimum condition, the developed method is used for the determination of Hg(2+) in aqueous solution and the detection limit is estimated to be 0.8ngmL(-1). Finally, the practical application of the developed method can be confirmed through the detections of Hg(2+) in waste and river water samples with satisfactory results. PMID:27235829

  1. Enhancement of atomic absorption sensitivity for cadmium, manganese, nickel, and silver and determination of submicrogram quantities of cadmium and nickel in environmental samples

    SciTech Connect

    Stein, V.B.; McClellan, B.E.

    1980-07-01

    Technical report: Studied were the enhancement effects of organic solids on nickel, manganese, cadmium, and silver using atomic absorption spectrometry. Ketones and acetate esters were the solvents that gave the greatest enhancement to the metals. A method that was used to detect heavy metals in water using ketone and acetate esters as solvents is described. Results of the tests indicate that cadmium and nickel levels in the waters of Tennessee and Kentucky are low. (4 graphs, 25 references, 7 tables)

  2. Sequencing the hypervariable regions of human mitochondrial DNA using massively parallel sequencing: Enhanced data acquisition for DNA samples encountered in forensic testing.

    PubMed

    Davis, Carey; Peters, Dixie; Warshauer, David; King, Jonathan; Budowle, Bruce

    2015-03-01

    Mitochondrial DNA testing is a useful tool in the analysis of forensic biological evidence. In cases where nuclear DNA is damaged or limited in quantity, the higher copy number of mitochondrial genomes available in a sample can provide information about the source of a sample. Currently, Sanger-type sequencing (STS) is the primary method to develop mitochondrial DNA profiles. This method is laborious and time consuming. Massively parallel sequencing (MPS) can increase the amount of information obtained from mitochondrial DNA samples while improving turnaround time by decreasing the numbers of manipulations and more so by exploiting high throughput analyses to obtain interpretable results. In this study 18 buccal swabs, three different tissue samples from five individuals, and four bones samples from casework were sequenced at hypervariable regions I and II using STS and MPS. Sample enrichment for STS and MPS was PCR-based. Library preparation for MPS was performed using Nextera® XT DNA Sample Preparation Kit and sequencing was performed on the MiSeq™ (Illumina, Inc.). MPS yielded full concordance of base calls with STS results, and the newer methodology was able to resolve length heteroplasmy in homopolymeric regions. This study demonstrates short amplicon MPS of mitochondrial DNA is feasible, can provide information not possible with STS, and lays the groundwork for development of a whole genome sequencing strategy for degraded samples.

  3. IGSN at Work in the Land Down Under: Exploiting an International Sample Identifier System to Enhance Reproducibility of Australian Geochemcial and Geochronological Data.

    NASA Astrophysics Data System (ADS)

    Bastrakova, I.; Klump, J. F.; McInnes, B.; Wyborn, L. A.; Brown, A.

    2015-12-01

    The International Geo-Sample Number (IGSN) provides a globally unique identifier for physical samples used to generate analytical data. This unique identifier provides the ability to link each physical sample to any analytical data undertaken on that sample, as well as to any publications derived from any data derived on the sample. IGSN is particularly important for geochemical and geochronological data, where numerous analytical techniques can be undertaken at multiple analytical facilities not only on the parent rock sample itself, but also on derived sample splits and mineral separates. Australia now has three agencies implementing IGSN: Geoscience Australia, CSIRO and Curtin University. All three have now combined into a single project, funded by the Australian Research Data Services program, to better coordinate the implementation of IGSN in Australia, in particular how these agencies allocate IGSN identifiers. The project will register samples from pilot applications in each agency including the CSIRO National Collection of Mineral Spectra database, the Geoscience Australia sample collection, and the Digital Mineral Library of the John De Laeter Centre for Isotope Research at Curtin University. These local agency catalogues will then be aggregated into an Australian portal, which will ultimately be expanded for all geoscience specimens. The development of this portal will also involve developing a common core metadata schema for the description of Australian geoscience specimens, as well as formulating agreed governance models for registering Australian samples. These developments aim to enable a common approach across Australian academic, research organisations and government agencies for the unique identification of geoscience specimens and any analytical data and/or publications derived from them. The emerging pattern of governance and technical collaboration established in Australia may also serve as a blueprint for similar collaborations internationally.

  4. Tip-enhanced near-field optical microscope with side-on and ATR-mode sample excitation for super-resolution Raman imaging of surfaces

    NASA Astrophysics Data System (ADS)

    Heilman, A. L.; Gordon, M. J.

    2016-06-01

    A tip-enhanced near-field optical microscope with side-on and attenuated total reflectance (ATR) excitation and collection is described and used to demonstrate sub-diffraction-limited (super-resolution) optical and chemical characterization of surfaces. ATR illumination is combined with an Au optical antenna tip to show that (i) the tip can quantitatively transduce the optical near-field (evanescent waves) above the surface by scattering photons into the far-field, (ii) the ATR geometry enables excitation and characterization of surface plasmon polaritons (SPPs), whose associated optical fields are shown to enhance Raman scattering from a thin layer of copper phthalocyanine (CuPc), and (iii) SPPs can be used to plasmonically excite the tip for super-resolution chemical imaging of patterned CuPc via tip-enhanced Raman spectroscopy (TERS). ATR-illumination TERS is also quantitatively compared with the more conventional side-on illumination scheme. In both cases, spatial resolution was better than 40 nm and tip on/tip off Raman enhancement factors were >6500. Furthermore, ATR illumination was shown to provide similar Raman signal levels at lower "effective" pump powers due to additional optical energy delivered by SPPs to the active region in the tip-surface gap.

  5. Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: a general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations.

    PubMed

    Li, Hongzhi; Fajer, Mikolai; Yang, Wei

    2007-01-14

    A potential scaling version of simulated tempering is presented to efficiently sample configuration space in a localized region. The present "simulated scaling" method is developed with a Wang-Landau type of updating scheme in order to quickly flatten the distributions in the scaling parameter lambdam space. This proposal is meaningful for a broad range of biophysical problems, in which localized sampling is required. Besides its superior capability and robustness in localized conformational sampling, this simulated scaling method can also naturally lead to efficient "alchemical" free energy predictions when dual-topology alchemical hybrid potential is applied; thereby simultaneously, both of the chemically and conformationally distinct portions of two end point chemical states can be efficiently sampled. As demonstrated in this work, the present method is also feasible for the quantum mechanical and quantum mechanical/molecular mechanical simulations.

  6. Repeated stool sampling and use of multiple techniques enhance the sensitivity of helminth diagnosis: a cross-sectional survey in southern Lao People's Democratic Republic.

    PubMed

    Sayasone, Somphou; Utzinger, Jürg; Akkhavong, Kongsap; Odermatt, Peter

    2015-01-01

    Intestinal parasitic infections are common in Lao People's Democratic Republic (Lao PDR). We investigated the accuracy of the Kato-Katz (KK) technique in relation to varying stool sampling efforts, and determined the effect of the concurrent use of a quantitative formalin-ethyl acetate concentration technique (FECT) for helminth diagnosis and appraisal of concomitant infections. The study was carried out between March and May 2006 in Champasack province, southern Lao PDR. Overall, 485 individuals aged ≥6 months who provided three stool samples were included in the final analysis. All stool samples were subjected to the KK technique. Additionally, one stool sample per individual was processed by FECT. Diagnosis was done under a light microscope by experienced laboratory technicians. Analysis of three stool samples with KK plus a single FECT was considered as diagnostic 'gold' standard and resulted in prevalence estimates of hookworm, Opisthorchis viverrini, Ascaris lumbricoides, Trichuris trichiura and Schistosoma mekongi infection of 77.9%, 65.0%, 33.4%, 26.2% and 24.3%, respectively. As expected, a single KK and a single FECT missed a considerable number of infections. While our diagnostic 'gold' standard produced similar results than those obtained by a mathematical model for most helminth infections, the 'true' prevalence predicted by the model for S. mekongi (28.1%) was somewhat higher than after multiple KK plus a single FECT (24.3%). In the current setting, triplicate KK plus a single FECT diagnosed helminth infections with high sensitivity. Hence, such a diagnostic approach might be utilised for generating high-quality baseline data, assessing anthelminthic drug efficacy and rigorous monitoring of community interventions.

  7. 3D-printed polylactic acid supports for enhanced ionization efficiency in desorption electrospray mass spectrometry analysis of liquid and gel samples.

    PubMed

    Elviri, Lisa; Foresti, Ruben; Bianchera, Annalisa; Silvestri, Marco; Bettini, Ruggero

    2016-08-01

    The potential of 3D printing technology was here exploited to prepare tailored polylactic acid (PLA) supports for desorption electrospray ionization (DESI) experiments. PLA rough solid supports presenting wells of different shape (i.e. cylindrical, cubic and hemispherical cavities) were designed to accommodate samples of different physical state. The potentials of such supports in terms of sample loading capacity, sensitivity, signal stability were tested by analysing a peptide (i.e. insulin) and an aminoglycoside antibiotic (i.e. gentamicin sulphate) from solution and a chitosan-based gel. The results obtained were compared with those obtained by using a traditional polytetrafluoroethylene (PTFE) support and discussed. By using PLA support on the flat side, signal intensity improved almost twice with respect to PTFE support, whereas with spherical wells a five times improved signal sensitivity and good stability (RSD<6%) were obtained for the analysis of two model molecules. Limits of detection were in the 3-10nM range and linearity was demonstrated for both analytes in the 0.05-0.5μM range for semi-quantitative or quantitative purposes. The use of a well and the set-up of optimal source parameters allowed the analysis of samples in a gel state with good precision (RSD<10%) and accuracy (86±6-102±9%), otherwise difficult to analyse on a flat smooth surface. These findings are of great interest and stimulus to exploit the advantages of 3D printing technology for the development of devices for a DESI source, presenting different shapes or configuration as a function of the sample types.

  8. Enhanced spectrophotometric detection of Hg in water samples by surface plasmon resonance of Au nanoparticles after preconcentration with vortex-assisted liquid-liquid microextraction

    NASA Astrophysics Data System (ADS)

    Martinis, Estefanía M.; Wuilloud, Rodolfo G.

    2016-10-01

    This article presents an efficient, simple, and cost-effective method for the determination of trace amounts of Hg by vortex-assisted liquid-liquid microextraction (VALLME) coupled to microvolume UV-Vis spectrophotometry. This method correlates changes in the intensity of localized surface plasmon resonance (LSPR) of tetraoctylammonium bromide (TOABr) coated Au nanoparticles (NPs) after interaction with Hg2+ ion. Spectroscopic measurements of the TOABr-coated Au NPs phase with particular absorption properties (strong and well-defined absorption bands) after analyte extraction by VALLME, provide an accurate and sensitive determination of Hg in water samples, comparable with measurements obtained by atomic absorption spectrometry (AAS). Different variables including sample volume, extraction time, and TOABr-coated Au NPs dispersion volume were carefully studied; final experimental conditions were 5 mL, 120 μL and 5 min respectively. The limit of detection (LOD) was 0.8 ng mL- 1. The calibration curve was linear at concentrations between the limit of quantification (LOQ) (4.9 ng mL- 1) and up to at least 120 ng mL- 1 of Hg. The relative standard deviation for six replicate determinations of 20 ng mL- 1 of Hg was 4.7%. This method exhibited an excellent analytical performance in terms of selectivity and sensitivity and it was finally applied for Hg determination in spiked tap and mineral water samples.

  9. Blocking primers to enhance PCR amplification of rare sequences in mixed samples – a case study on prey DNA in Antarctic krill stomachs

    PubMed Central

    Vestheim, Hege; Jarman, Simon N

    2008-01-01

    Background Identification of DNA sequence diversity is a powerful means for assessing the species present in environmental samples. The most common molecular strategies for estimating taxonomic composition depend upon PCR with universal primers that amplify an orthologous DNA region from a range of species. The diversity of sequences within a sample that can be detected by universal primers is often compromised by high concentrations of some DNA templates. If the DNA within the sample contains a small number of sequences in relatively high concentrations, then less concentrated sequences are often not amplified because the PCR favours the dominant DNA types. This is a particular problem in molecular diet studies, where predator DNA is often present in great excess of food-derived DNA. Results We have developed a strategy where a universal PCR simultaneously amplifies DNA from food items present in DNA purified from stomach samples, while the predator's own DNA is blocked from amplification by the addition of a modified predator-specific blocking primer. Three different types of modified primers were tested out; one annealing inhibiting primer overlapping with the 3' end of one of the universal primers, another annealing inhibiting primer also having an internal modification of five dI molecules making it a dual priming oligo, and a third elongation arrest primer located between the two universal primers. All blocking primers were modified with a C3 spacer. In artificial PCR mixtures, annealing inhibiting primers proved to be the most efficient ones and this method reduced predator amplicons to undetectable levels even when predator template was present in 1000 fold excess of the prey template. The prey template then showed strong PCR amplification where none was detectable without the addition of blocking primer. Our method was applied to identifying the winter food of one of the most abundant animals in the world, the Antarctic krill, Euphausia superba. Dietary

  10. Redshift-space Enhancement of Line-of-sight Baryon Acoustic Oscillations in the Sloan Digital Sky Survey Main-galaxy Sample

    NASA Astrophysics Data System (ADS)

    Tian, H. J.; Neyrinck, Mark C.; Budavári, Tamás; Szalay, Alexander S.

    2011-02-01

    We show that redshift-space distortions of galaxy correlations have a strong effect on correlation functions with distinct, localized features, like the signature of the baryon acoustic oscillations (BAO). Near the line of sight, the features become sharper as a result of redshift-space distortions. We demonstrate this effect by measuring the correlation function in Gaussian simulations and the Millennium simulation. We also analyze the SDSS DR7 main-galaxy sample, splitting the sample into slices 2fdg5 on the sky in various rotations. Measuring two-dimensional correlation functions in each slice, we do see a sharp bump along the line of sight. Using Mexican-hat wavelets, we localize it to (110 ± 10) h -1 Mpc. Averaging only along the line of sight, we estimate its significance at a particular wavelet scale and location at 2.2σ. In a flat angular weighting in the (π, rp ) coordinate system, the noise level is suppressed, pushing the bump's significance to 4σ. We estimate that there is about a 0.2% chance of getting such a signal anywhere in the vicinity of the BAO scale from a power spectrum lacking a BAO feature. However, these estimates of the significances make some use of idealized Gaussian simulations, and thus are likely a bit optimistic.

  11. Redshift-Space Enhancement of Line-of-Sight Baryon Acoustic Oscillations in the Sloan Digital Sky Survey Main-Galaxy Sample

    NASA Astrophysics Data System (ADS)

    Tian, Haijun; Neyrinck, Mark C.; Budavari, Tamas; SZALAY, AlEXANDER

    2015-08-01

    We show that redshift-space distortions of galaxy correlations have a strong effect on correlation functions with distinct, localized features, like the signature of the baryon acoustic oscillations (BAO). Near the line of sight, the features become sharper as a result of redshift-space distortions. We demonstrate this effect by measuring the correlation function in Gaussian simulations and the Millennium simulation. We also analyze the SDSS DR7 main-galaxy sample, splitting the sample into slices 2.5 on the sky in various rotations. Measuring two-dimensional correlation functions in each slice, we do see a sharp bump along the line of sight. Using Mexican-hat wavelets, we localize it to (110 ± 10) Mpc/h. Averaging only along the line of sight, we estimate its significance at a particular wavelet scale and location at 2.2σ. In a flat angular weighting in the (π,rp) coordinate system, the noise level is suppressed, pushing the bump’s significance to 4σ . We estimate that there is about a 0.2% chance of getting such a signal anywhere in the vicinity of the BAO scale from a power spectrum lacking a BAO feature. However, these estimates of the significances make some use of idealized Gaussian simulations, and thus are likely a bit optimistic.

  12. Dispersive micro-solid phase extraction using magnetic nanoparticle modified multi-walled carbon nanotubes coupled with surfactant-enhanced spectrofluorimetry for sensitive determination of lomefloxacin and ofloxacin from biological samples.

    PubMed

    Amoli-Diva, Mitra; Pourghazi, Kamyar; Hajjaran, Somayeh

    2016-03-01

    A dispersive micro-solid-phase extraction (D-μ-SPE) procedure coupled with surfactant-enhanced spectrofluorimetric detection was developed for determination of ofloxacin and lomefloxacin from biological and environmental samples. The D-μ-SPE procedure was performed using magnetic Fe3O4 nanoparticle grafted multi-walled carbon nanotube as an efficient adsorbent. The main factors affecting the signal enhancement (including surfactant concentration and pH) and extraction efficiency (including pH, extraction time, sample volume, amount of magnetic adsorbent, and desorption conditions) were investigated in detail. Under the optimized conditions, the calibration curves were linear (R(2)˃0.9995) over the concentration range of 50-450 ng mL(-1) with detection limits (LOD) of 12 and 15 ng mL(-1) for ofloxacin and lomefloxacin respectively. The relative standard deviation (RSD %) of 1.9 and 2.1% (C=100 ng mL(-1), n=5) and the enrichment factor of 192 and 188 were achieved for ofloxacin and lomefloxacin respectively. Finally, the method was successfully applied to the extraction and preconcentration of these drugs in biological (plasma and urine) samples.

  13. Extraction and determination of sulfonylurea herbicides in water and soil samples by using ultrasound-assisted surfactant-enhanced emulsification microextraction and analysis by high-performance liquid chromatography.

    PubMed

    Ghobadi, Masoomeh; Yamini, Yadollah; Ebrahimpour, Behnam

    2015-02-01

    An ultrasound-assisted surfactant-enhanced emulsification microextraction (UASEME) with low-density extraction solvents was developed for the extraction of sulfonylurea herbicides from water and soil samples prior to high-performance liquid chromatography coupled with ultraviolet detection (HPLC-UV). In this technique, a surfactant was used as emulsifier which could enhance the dispersion of water-immiscible extraction solvent into aqueous phase and was favorable for the mass-transfer of the analytes from aqueous phase to organic phase. The target analytes were extracted into an extraction phase (Aliquat-336 in 1-octanol) and dispersed in an aqueous solution. After extraction and phase separation, the organic solvent on top of the solution was withdrawn into a syringe and 20 µL of it was injected into a HPLC instrument for analysis. Influential factors in extraction were investigated and optimized. Under optimum experimental conditions, calibration curve was linear in the concentration range from 1 to 100 µg/L, with coefficients of estimation (R(2) values) varying from 0.9928 to 0.9952, and satisfactory repeatabilities (4.7samples, was studied. The obtained results indicated that the proposed method is efficient, fast and inexpensive for extraction and determination of sulfonylurea herbicides in environmental aqueous and soil samples.

  14. Sensitivity and specificity enhanced enzyme-linked immunosorbent assay by rational hapten modification and heterogeneous antibody/coating antigen combinations for the detection of melamine in milk, milk powder and feed samples.

    PubMed

    Cao, Biyun; Yang, Hong; Song, Juan; Chang, Huafang; Li, Shuqun; Deng, Anping

    2013-11-15

    The adulteration of food products with melamine has led to an urgent requirement for sensitive, specific, rapid and reliable quantitative/screening methods. To enhance the sensitivity and specificity of the enzyme-linked immunosorbent assay (ELISA) for the detection of melamine in milk, milk powder and feed samples, rational hapten modification and heterogeneous antibody/coating antigen combinations were adopted. Three melamine derivatives with different length of carboxylic spacer at the end were synthesized and linked to carrier proteins for the production of immunogens and coating antigens. Monoclonal antibody against melamine was produced by hybridoma technology. Under optimal experimental conditions, the standard curves of the ELISAs for melamine were constructed in range of 0.1-100 ng mL(-1). The sensitivity was 10-300 times enhanced compared to those in the published literatures. The cross-reactivity values of the ELISAs also demonstrated the assays exhibited high specificity. Five samples were spiked with melamine at different concentrations and detected by the ELISA. The recovery rates of 72.8-123.0% and intra-assay coefficients of variation of 0.8-18.9% (n=3) were obtained. The ELISA for milk sample was confirmed by high-performance liquid chromatography with a high correlation coefficient of 0.9902 (n=6). The proposed ELISA was proven to be a feasible quantitative/screening method for melamine analysis.

  15. Determination of the solution-bound conformation of an amino acid binding protein by NMR paramagnetic relaxation enhancement: use of a single flexible paramagnetic probe with improved estimation of its sampling space.

    PubMed

    Bermejo, Guillermo A; Strub, Marie-Paule; Ho, Chien; Tjandra, Nico

    2009-07-15

    We demonstrate the feasibility of elucidating the bound ("closed") conformation of a periplasmic binding protein, the glutamine-binding protein (GlnBP), in solution, using paramagnetic relaxation enhancements (PREs) arising from a single paramagnetic group. GlnBP consists of two globular domains connected by a hinge. Using the ligand-free ("open") conformation as a starting point, conjoined rigid-body/torsion-angle simulated annealing calculations were performed using backbone (1)H(N)-PREs as a major source of distance information. Paramagnetic probe flexibility was accounted for via a multiple-conformer representation. A conventional approach where the entire PRE data set is enforced at once during simulated annealing yielded poor results due to inappropriate conformational sampling of the probe. On the other hand, significant improvements in coordinate accuracy were obtained by estimating the probe sampling space prior to structure calculation. Such sampling is achieved by refining the ensemble of probe conformers with intradomain PREs only, keeping the protein backbone fixed in the open form. Subsequently, while constraining the probe to the previously found conformations, the domains are allowed to move relative to each other under the influence of the non-intradomain PREs, giving the hinge region torsional degrees of freedom. Thus, by partitioning the protocol into "probe sampling" and "backbone sampling" stages, structures significantly closer to the X-ray structure of ligand-bound GlnBP were obtained.

  16. Examination of posttraining supervision of peer counselors in a motivational enhancement intervention to reduce drinking in a sample of heavy-drinking college students.

    PubMed

    Mastroleo, Nadine R; Turrisi, Rob; Carney, Jolynn V; Ray, Anne E; Larimer, Mary E

    2010-10-01

    Importance of peer counselor posttraining supervision on motivational interviewing (MI) microskills and postintervention drinking outcomes were evaluated in a sample of heavy-drinking undergraduate students completing Brief Alcohol Screening and Intervention for College Students (BASICS; L.A. Dimeff, J.S. Baer, D.R. Kivlahan, & G.A. Marlatt, 1999). Two peer counselor groups were trained using identical protocols. Posttraining, one group was randomized to receive supervision, whereas the other received no supervision. Groups were subsequently compared on MI microskills. College students (n = 122) were randomly assigned to either assessment-only control, supervision, or no supervision groups and completed a BASICS intervention. Postintervention drinking outcomes were examined. Results suggested supervision aided peer counselors in reducing use of closed-ended questions. Both treatment groups reduced total drinks per week and heavy-drinking behaviors compared to control. No differences on peak blood alcohol concentration (BAC) or alcohol-related consequences were observed. Differences in supervision did not influence drinking outcomes; however, posttraining supervision for peer counselors deficient in MI microskills may be needed to improve BASICS fidelity. PMID:20673621

  17. Sample Design.

    ERIC Educational Resources Information Center

    Ross, Kenneth N.

    1987-01-01

    This article considers various kinds of probability and non-probability samples in both experimental and survey studies. Throughout, how a sample is chosen is stressed. Size alone is not the determining consideration in sample selection. Good samples do not occur by accident; they are the result of a careful design. (Author/JAZ)

  18. Fe3O4@Graphene Oxide@Ag Particles for Surface Magnet Solid-Phase Extraction Surface-Enhanced Raman Scattering (SMSPE-SERS): From Sample Pretreatment to Detection All-in-One.

    PubMed

    Liu, Zhigang; Wang, Yi; Deng, Rong; Yang, Liyuan; Yu, Shihua; Xu, Shuping; Xu, Weiqing

    2016-06-01

    A multifunctional magnetic graphene surface-enhanced Raman scattering (SERS) substrate was fabricated successfully by the layer-by-layer assembly of silver and graphene oxide (GO) nanoparticles (NPs) on the magnetic ferroferric oxide particles (Fe3O4@GO@Ag). This ternary particle possesses magnetic properties, SERS activity, and adsorption ability simultaneously. Owing to the multifunction of this Fe3O4@GO@Ag ternary complex, we put forward a new method called a surface magnetic solid-phase extraction (SMSPE) technique, for the SERS detections of pesticide residues on the fruit peels. SMSPE integrates many sample pretreatment procedures, such as surface extraction, separation sample, and detection, all-in-one. So this method shows great superiority in simplicity, rapidity, and high efficiency above other standard methods. The whole detection process can be finished within 20 min including the sample pretreatment and SERS detection. Owing to the high density of Ag NPs, the detection sensitivity is high enough that the lowest detectable concentrations are 0.48 and 40 ng/cm(2) for thiram and thiabendazole, which are much lower than the maximal residue limits in fruit prescribed by the U.S. Environmental Protection Agency. This multifunctional ternary particle and its corresponding analytical method have been proven to be applicable for practical samples and also valuable for other surface analysis. PMID:27191584

  19. Vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction with solidification of floating organic droplet combined with flame atomic absorption spectrometry for the fast determination of cadmium in water samples.

    PubMed

    Peng, Guilong; Lu, Ying; He, Qiang; Mmereki, Daniel; Tang, Xiaohui; Zhong, Zhihui; Zhao, Xiaolong

    2016-01-01

    A novel vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction with solidification of floating organic droplet (VSLLME-SFO) was developed for the fast, simple and efficient determination of cadmium (Cd) in water samples followed by flame atomic absorption spectrometry (FAAS). In the VSLLME-SFO process, the addition of surfactant (as an emulsifier), could enhance the mass transfer from the aqueous solution into the extraction solvent. The extraction solvent could be dispersed into the aqueous phase under vigorous shaking with the vortex. In this paper, we investigated the influences of analytical parameters, including pH, extraction solvent type and its volume, surfactant type and its volume, concentration of chelating agent, salt effect and vortex time, on the extraction efficiency of Cd. Under the optimized conditions, the limit of detection was 0.16 μg/L. The analyte enrichment factor was 37.68. The relative standard deviation was 3.2% (10 μg/L, n = 10) and the calibration graph was linear, ranging from 0.5 to 30 μg/L. The proposed method was successfully applied for the analysis of ultra-trace Cd in river water and wastewater samples.

  20. Vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction with solidification of floating organic droplet combined with flame atomic absorption spectrometry for the fast determination of cadmium in water samples.

    PubMed

    Peng, Guilong; Lu, Ying; He, Qiang; Mmereki, Daniel; Tang, Xiaohui; Zhong, Zhihui; Zhao, Xiaolong

    2016-01-01

    A novel vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction with solidification of floating organic droplet (VSLLME-SFO) was developed for the fast, simple and efficient determination of cadmium (Cd) in water samples followed by flame atomic absorption spectrometry (FAAS). In the VSLLME-SFO process, the addition of surfactant (as an emulsifier), could enhance the mass transfer from the aqueous solution into the extraction solvent. The extraction solvent could be dispersed into the aqueous phase under vigorous shaking with the vortex. In this paper, we investigated the influences of analytical parameters, including pH, extraction solvent type and its volume, surfactant type and its volume, concentration of chelating agent, salt effect and vortex time, on the extraction efficiency of Cd. Under the optimized conditions, the limit of detection was 0.16 μg/L. The analyte enrichment factor was 37.68. The relative standard deviation was 3.2% (10 μg/L, n = 10) and the calibration graph was linear, ranging from 0.5 to 30 μg/L. The proposed method was successfully applied for the analysis of ultra-trace Cd in river water and wastewater samples. PMID:27232416

  1. Employment of 4-(1,2,4-triazol-1-yl)phenol as a signal enhancer of the chemiluminescent luminol-H2O2-horseradish peroxidase reaction for detection of hepatitis C virus in real samples.

    PubMed

    Liu, Jian; Zhang, Lili; Fu, Chuanyun; Wang, Yunshan; Sun, Shanhui

    2015-12-01

    Highly sensitive detection of hepatitis C virus (HCV) in serum is a key method for diagnosing and classifying the extent of HCV infection. In this study, a p-phenol derivative, 4-(1,2,4-triazol-1-yl)phenol (4-TRP), was employed as an efficient enhancer of the luminol-hydrogen peroxide (H2O2)-horseradish peroxidase (HRP) chemiluminescence (CL) system for detection of HCV. Compared with a traditional enhancer, 4-TRP strongly enhanced CL intensity with the effect of prolonging and stabilizing light emission. The developed CL system was applied to detecting HCV core antigen (HCV-cAg) using a sandwich structure inside microwells. Our experimental results showed that there was good linear relationship between CL intensity and HCV-cAg concentration in the 0.6-3.6 pg/mL range (R = 0.99). The intra- and inter-assay coefficients of variation were 4.5-5.8% and 5.0-7.3%, respectively. In addition, sensitive determination of HCV-cAg in serum samples using the luminol-H2O2-HRP-4-TRP CL system was also feasible in clinical settings. PMID:25820800

  2. Application of dispersive liquid-liquid microextraction coupled with vortex-assisted hydrophobic magnetic nanoparticles based solid-phase extraction for determination of aflatoxin M1 in milk samples by sensitive micelle enhanced spectrofluorimetry.

    PubMed

    Amoli-Diva, Mitra; Taherimaslak, Zohreh; Allahyari, Mehdi; Pourghazi, Kamyar; Manafi, Mohammad Hanif

    2015-03-01

    An efficient, simple and fast low-density solvent based dispersive liquid-liquid microextraction (LDS-DLLME) followed by vortex-assisted dispersive solid phase extraction (VA-D-SPE) has been developed as a new approach for extraction and preconcentration of aflatoxin M1 in milk samples prior to its micelle enhanced spectrofluorimetic determination. In this LDS-DLLME coupled VA-D-SPE method, milk samples were first treated with methanol/water (80:20, v/v) after removing the fat layer. This solvent was directly used as the dispersing solvent in DLLME along with using 1-heptanol (as a low-density solvent with respect to water) as the extracting solvent. In VA-D-SPE approach, hydrophobic oleic acid modified Fe3O4 nanoparticles were used to retrieve the analyte from the DLLME step. It is considerably that the target of VA-D-SPE was 1-heptanol rather than the aflatoxin M1 directly. The main parameters affecting the efficiency of LDS-DLLME and VA-D-SPE procedures and signal enhancement of aflatoxin M1 were investigated and optimized. Under the optimum conditions, the method was linear in the range from 0.02 to 200 µg L(-1) with the correlation coefficient (R(2)) of 0.9989 and detection limit of 13 ng L(-1). The intra-day precision was 2.9 and 4.3% and the inter-day precision was 2.1 and 3.3% for concentration of 2 and 50 µg L(-1) respectively. The developed method was applied for extraction and preconcentration of AFM1 in three commercially available milk samples and the results were compared with the official AOAC method. PMID:25618645

  3. Application of dispersive liquid-liquid microextraction coupled with vortex-assisted hydrophobic magnetic nanoparticles based solid-phase extraction for determination of aflatoxin M1 in milk samples by sensitive micelle enhanced spectrofluorimetry.

    PubMed

    Amoli-Diva, Mitra; Taherimaslak, Zohreh; Allahyari, Mehdi; Pourghazi, Kamyar; Manafi, Mohammad Hanif

    2015-03-01

    An efficient, simple and fast low-density solvent based dispersive liquid-liquid microextraction (LDS-DLLME) followed by vortex-assisted dispersive solid phase extraction (VA-D-SPE) has been developed as a new approach for extraction and preconcentration of aflatoxin M1 in milk samples prior to its micelle enhanced spectrofluorimetic determination. In this LDS-DLLME coupled VA-D-SPE method, milk samples were first treated with methanol/water (80:20, v/v) after removing the fat layer. This solvent was directly used as the dispersing solvent in DLLME along with using 1-heptanol (as a low-density solvent with respect to water) as the extracting solvent. In VA-D-SPE approach, hydrophobic oleic acid modified Fe3O4 nanoparticles were used to retrieve the analyte from the DLLME step. It is considerably that the target of VA-D-SPE was 1-heptanol rather than the aflatoxin M1 directly. The main parameters affecting the efficiency of LDS-DLLME and VA-D-SPE procedures and signal enhancement of aflatoxin M1 were investigated and optimized. Under the optimum conditions, the method was linear in the range from 0.02 to 200 µg L(-1) with the correlation coefficient (R(2)) of 0.9989 and detection limit of 13 ng L(-1). The intra-day precision was 2.9 and 4.3% and the inter-day precision was 2.1 and 3.3% for concentration of 2 and 50 µg L(-1) respectively. The developed method was applied for extraction and preconcentration of AFM1 in three commercially available milk samples and the results were compared with the official AOAC method.

  4. Capillary sample

    MedlinePlus

    ... using capillary blood sampling. Disadvantages to capillary blood sampling include: Only a limited amount of blood can be drawn using this method. The procedure has some risks (see below). Capillary ...

  5. An enhanced cerium(IV)-rhodamine 6G chemiluminescence system using guest-host interactions in a lab-on-a-chip platform for estimating the total phenolic content in food samples.

    PubMed

    Al Haddabi, Buthaina; Al Lawati, Haider A J; Suliman, FakhrEldin O

    2016-04-01

    Two chemiluminescence-microfluidic (CL-MF) systems, e.g., Ce(IV)-rhodamine B (RB) and Ce(IV)-rhodamine 6G (R6G), for the determination of the total phenolic content in teas and some sweeteners were evaluated. The results indicated that the Ce(IV)-R6G system was more sensitive in comparison to the Ce(IV)-RB CL system. Therefore, a simple (CL-MF) method based on the CL of Ce(IV)-R6G was developed, and the sensitivity, selectivity and stability of this system were evaluated. Selected phenolic compounds (PCs), such as quercetin (QRC), catechin (CAT), rutin (RUT), gallic acid (GA), caffeic acid (CA) and syringic acid (SA), produced analytically useful chemiluminescence signals with low detection limits ranging from 0.35 nmol L(-1) for QRC to 11.31 nmol L(-1) for SA. The mixing sequence and the chip design were crucial, as the sensitivity and reproducibility could be substantially affected by these two factors. In addition, the anionic surfactant (i.e., sodium dodecyl sulfate (SDS)) can significantly enhance the CL signal intensity by as much as 300% for the QRC solution. Spectroscopic studies indicated that the enhancement was due to a strong guest-host interaction between the cationic R6G molecules and the anionic amphiphilic environment. Other parameters that could affect the CL intensities of the PCs were carefully optimized. Finally, the method was successfully applied to tea and sweetener samples. Six different tea samples exhibited total phenolic/antioxidant levels from 7.32 to 13.5 g per 100g of sample with respect to GA. Four different sweetener samples were also analyzed and exhibited total phenolic/antioxidant levels from 500.9 to 3422.9 mg kg(-1) with respect to GA. The method was selective, rapid and sensitive when used to estimate the total phenolic/antioxidant level, and the results were in good agreement with those reported for honey and tea samples. PMID:26838423

  6. Comparison of ultrasound-enhanced air-assisted liquid-liquid microextraction and low-density solvent-based dispersive liquid-liquid microextraction methods for determination of nonsteroidal anti-inflammatory drugs in human urine samples.

    PubMed

    Barfi, Behruz; Asghari, Alireza; Rajabi, Maryam; Goochani Moghadam, Ahmad; Mirkhani, Nasim; Ahmadi, Farhad

    2015-01-01

    Two dispersive-based liquid-liquid microextraction methods including ultrasound-enhanced air-assisted liquid-liquid microextraction (USE-AALLME) and low-density solvent-based dispersive liquid-liquid microextraction (LDS-DLLME) were compared for the extraction of salicylic acid (the hydrolysis product of acetylsalicylic acid), diclofenac and ibuprofen, as instances of the most commonly used nonsteroidal anti-inflammatory drugs (NSAIDs), in human urine prior to their determination by gas chromatography with flame ionization detection (GC-FID). The influence of different parameters affecting the USE-AALLME (including type and volume of the extraction solvent, sample pH, ionic strength, and simultaneous sonication and number of extraction cycles) and the LDS-DLLME (including type and volume of the extraction and disperser solvents, sample pH, and ionic strength) were investigated to optimize their extraction efficiencies. Both methods are fast, simple and convenient with organic solvent consumption at μL level. However, the best results were obtained using the USE-AALLME method, applying 30 μL of 1-octanol as extraction solvent, 5.0 mL of sample at pH 3.0, without salt addition, and 5 extraction cycles during 20s of sonication. This method was validated based on linearities (r(2) >0 .971), limits of detection (0.1-1.0 μg L(-1)), linear dynamic ranges (0.4-1000.0 μg L(-1)), enrichment factors (115 ± 3-135 ± 3), consumptive indices (0.043-0.037), inter- and intra-day precisions (4.3-4.8 and 5.6-6.1, respectively), and relative recoveries (94-103%). The USE-AALLME in combination with GC-FID, and with no need to derivatization step, was demonstrated to be a simple, inexpensive, sensitive and efficient method to determine NSAIDs in human urine samples.

  7. Powder sampling.

    PubMed

    Venables, Helena J; Wells, J I

    2002-01-01

    The factors involved when sampling powder mixes have been reviewed. The various methods are evaluated (manual, automatic, and sub-sampling) and the errors incurred are discussed. Certain rules have been applied to various samplers and their suitability for powder mixtures are described. The spinning riffler is apparently the most suitable, while the use of sample thieves should be avoided due to error and bias.

  8. Sampling Development

    ERIC Educational Resources Information Center

    Adolph, Karen E.; Robinson, Scott R.

    2011-01-01

    Research in developmental psychology requires sampling at different time points. Accurate depictions of developmental change provide a foundation for further empirical studies and theories about developmental mechanisms. However, overreliance on widely spaced sampling intervals in cross-sectional and longitudinal designs threatens the validity of…

  9. Polyol-enhanced dispersive liquid-liquid microextraction coupled with gas chromatography and nitrogen phosphorous detection for the determination of organophosphorus pesticides from aqueous samples, fruit juices, and vegetables.

    PubMed

    Farajzadeh, Mir Ali; Afshar Mogaddam, Mohammad Reza; Alizadeh Nabil, Ali Akbar

    2015-12-01

    Polyol-enhanced dispersive liquid-liquid microextraction has been proposed for the extraction and preconcentration of some organophosphorus pesticides from different samples. In the present study, a high volume of an aqueous phase containing a polyol (sorbitol) is prepared and then a disperser solvent along with an extraction solvent is rapidly injected into it. Sorbitol showed the best results and it was more effective on the extraction recoveries of the analytes than inorganic salts such as sodium chloride, potassium chloride, and sodium sulfate. Under the optimum extraction conditions, the method showed low limits of detection and quantification within the ranges of 12-56 and 44-162 pg/mL, respectively. Enrichment factors and extraction recoveries were in the ranges of 2799-3033 and 84-92%, respectively. The method precision was evaluated at a concentration of 10 ng/mL of each analyte, and relative standard deviations were found to be less than 5.9% for intraday (n = 6) and less than 7.8% for interday (n = 4). Finally, some aqueous samples were successfully analyzed using the proposed method and four analytes (diazinon, dimethoate, chlorpyrifos, and phosalone) were determined, some of them at ng/mL level.

  10. [The level of DNA damage and DNA reparation rate in cells of earthworms sampled from natural populations for numerous generations inhabited territories with anthropogenically enhanced levels of radionuclides in soil].

    PubMed

    Kaneva, A V; Belykh, E S; Maystrenko, T A; Shadrin, D M; Pylina, Ya I; Velegzhaninov, I O

    2015-01-01

    Low doses of ionizing radiation and chemical toxic agent effects on biological systems on different organization levels have been studied by numerous researchers. But there is a clear lack of experimental data that allow one to reveal molecular and cellular adaptations of plants and animals from natural populations to adverse effects of environmental factors. The present study was aimed to assess genotoxic effects in earthworms Aporrectodea caliginosa Savigny and Lumbricus rubellus Hoffmeister sampled from the populations that during numerous generations inhabited the territories with a technogeneously enhanced content of natural origin radionuclides and heavy metals in soil. The levels ofthe DNA damage detected with alkaline and neutral versions of Comet-assay in invertebrates from contaminated territories were established not to differ from the spontaneous level found in the animals from the reference population. At the same time the rate of the DNA damage reparation induced in A. caliginosa sampled from the contaminated sites with additional acute γ-irradiation (4 Gy) was found to be considerably higher as compared with earthworms from the reference population.

  11. Solvent-assisted stir bar sorptive extraction by using swollen polydimethylsiloxane for enhanced recovery of polar solutes in aqueous samples: Application to aroma compounds in beer and pesticides in wine.

    PubMed

    Ochiai, Nobuo; Sasamoto, Kikuo; David, Frank; Sandra, Pat

    2016-07-15

    A novel solvent-assisted stir bar sorptive extraction (SA-SBSE) technique was developed for enhanced recovery of polar solutes in aqueous samples. A conventional PDMS stir bar was swollen in several solvents with log Kow ranging from 1.0 to 3.5 while stirring for 30min prior to extraction. After extraction, thermal desorption - gas chromatography - (tandem) mass spectrometry (TD-GC-(MS/)MS) or liquid desorption - large volume injection (LD-LVI)-GC-MS were performed. An initial study involved investigation of potential solvents for SA-SBSE by weighing of the residual solvent in the swollen PDMS stir bar before and after extraction. Compared to conventional SBSE, SA-SBSE using diethyl ether, methyl isobutyl ketone, dichloromethane, diisopropyl ether and toluene provided higher recoveries from water samples for test solutes with log Kow<2.5. For SA-SBSE using dichloromethane, recoveries were improved by factors of 1.4-4.1, while maintaining or even improving the recoveries for test solutes with log Kow>2.5. The performance of the SA-SBSE method using dichloromethane, diisopropyl ether, and cyclohexane is illustrated with analyses of aroma compounds in beer and of pesticides in wine. PMID:27289502

  12. Elevating sampling

    PubMed Central

    Labuz, Joseph M.; Takayama, Shuichi

    2014-01-01

    Sampling – the process of collecting, preparing, and introducing an appropriate volume element (voxel) into a system – is often under appreciated and pushed behind the scenes in lab-on-a-chip research. What often stands in the way between proof-of-principle demonstrations of potentially exciting technology and its broader dissemination and actual use, however, is the effectiveness of sample collection and preparation. The power of micro- and nanofluidics to improve reactions, sensing, separation, and cell culture cannot be accessed if sampling is not equally efficient and reliable. This perspective will highlight recent successes as well as assess current challenges and opportunities in this area. PMID:24781100

  13. SAMPLING SYSTEM

    DOEpatents

    Hannaford, B.A.; Rosenberg, R.; Segaser, C.L.; Terry, C.L.

    1961-01-17

    An apparatus is given for the batch sampling of radioactive liquids such as slurries from a system by remote control, while providing shielding for protection of operating personnel from the harmful effects of radiation.

  14. SAMPLING OSCILLOSCOPE

    DOEpatents

    Sugarman, R.M.

    1960-08-30

    An oscilloscope is designed for displaying transient signal waveforms having random time and amplitude distributions. The oscilloscopc is a sampling device that selects for display a portion of only those waveforms having a particular range of amplitudes. For this purpose a pulse-height analyzer is provided to screen the pulses. A variable voltage-level shifter and a time-scale rampvoltage generator take the pulse height relative to the start of the waveform. The variable voltage shifter produces a voltage level raised one step for each sequential signal waveform to be sampled and this results in an unsmeared record of input signal waveforms. Appropriate delay devices permit each sample waveform to pass its peak amplitude before the circuit selects it for display.

  15. Sampling apparatus

    DOEpatents

    Gordon, Norman R.; King, Lloyd L.; Jackson, Peter O.; Zulich, Alan W.

    1989-01-01

    A sampling apparatus is provided for sampling substances from solid surfaces. The apparatus includes first and second elongated tubular bodies which telescopically and sealingly join relative to one another. An absorbent pad is mounted to the end of a rod which is slidably received through a passageway in the end of one of the joined bodies. The rod is preferably slidably and rotatably received through the passageway, yet provides a selective fluid tight seal relative thereto. A recess is formed in the rod. When the recess and passageway are positioned to be coincident, fluid is permitted to flow through the passageway and around the rod. The pad is preferably laterally orientable relative to the rod and foldably retractable to within one of the bodies. A solvent is provided for wetting of the pad and solubilizing or suspending the material being sampled from a particular surface.

  16. Sampling apparatus

    DOEpatents

    Gordon, N.R.; King, L.L.; Jackson, P.O.; Zulich, A.W.

    1989-07-18

    A sampling apparatus is provided for sampling substances from solid surfaces. The apparatus includes first and second elongated tubular bodies which telescopically and sealingly join relative to one another. An absorbent pad is mounted to the end of a rod which is slidably received through a passageway in the end of one of the joined bodies. The rod is preferably slidably and rotatably received through the passageway, yet provides a selective fluid tight seal relative thereto. A recess is formed in the rod. When the recess and passageway are positioned to be coincident, fluid is permitted to flow through the passageway and around the rod. The pad is preferably laterally orientable relative to the rod and foldably retractable to within one of the bodies. A solvent is provided for wetting of the pad and solubilizing or suspending the material being sampled from a particular surface. 15 figs.

  17. β-Cyclodextrin enhanced on-line organic solvent field-amplified sample stacking in capillary zone electrophoresis for analysis of ambroxol in human plasma, following liquid-liquid extraction in the 96-well format.

    PubMed

    Li, Ji; Bi, Youwei; Wang, Li; Sun, Fanlu; Chen, Zhao; Xu, Guili; Fan, Guorong

    2012-07-01

    A field-amplified sample stacking (FASS) and capillary zone electrophoresis (CZE) method is described for the quantification of ambroxol hydrochloride in human plasma, following liquid-liquid extraction in the 96-well format. The separation was carried out at 25 °C in a 31.2 cm × 75 μm fused-silica capillary with an applied voltage of 15 kV. The background electrolyte (BGE) was composed of 6.25 mM borate-25 mM phosphate (pH 3.0) and 1mM β-cyclodextrin. The detection wavelength was 210 nm. Clean-up and preconcentration of plasma biosamples were developed by 96-well format liquid-liquid extraction (LLE). In this study, FASS in combination with β-cyclodextrin enhanced the sensitivity about 60-70 fold in total. The method was suitably validated with respect to stability, specificity, linearity, lower limit of quantitation, accuracy, precision, extraction recovery and robustness. The calibration graph was linear for ambroxol hydrochloride from 2 to 500 ng/ml. The lower limit of quantification was 2 ng/ml. The intra- and inter-day precisions of lowest limit of quantification (LLOQ) were 9.61 and 11.80%, respectively. The method developed was successfully applied to the evaluation of clinical pharmacokinetic study of ambroxol hydrochloride tablet after oral administration to 12 healthy volunteers.

  18. β-Cyclodextrin enhanced on-line organic solvent field-amplified sample stacking in capillary zone electrophoresis for analysis of ambroxol in human plasma, following liquid-liquid extraction in the 96-well format.

    PubMed

    Li, Ji; Bi, Youwei; Wang, Li; Sun, Fanlu; Chen, Zhao; Xu, Guili; Fan, Guorong

    2012-07-01

    A field-amplified sample stacking (FASS) and capillary zone electrophoresis (CZE) method is described for the quantification of ambroxol hydrochloride in human plasma, following liquid-liquid extraction in the 96-well format. The separation was carried out at 25 °C in a 31.2 cm × 75 μm fused-silica capillary with an applied voltage of 15 kV. The background electrolyte (BGE) was composed of 6.25 mM borate-25 mM phosphate (pH 3.0) and 1mM β-cyclodextrin. The detection wavelength was 210 nm. Clean-up and preconcentration of plasma biosamples were developed by 96-well format liquid-liquid extraction (LLE). In this study, FASS in combination with β-cyclodextrin enhanced the sensitivity about 60-70 fold in total. The method was suitably validated with respect to stability, specificity, linearity, lower limit of quantitation, accuracy, precision, extraction recovery and robustness. The calibration graph was linear for ambroxol hydrochloride from 2 to 500 ng/ml. The lower limit of quantification was 2 ng/ml. The intra- and inter-day precisions of lowest limit of quantification (LLOQ) were 9.61 and 11.80%, respectively. The method developed was successfully applied to the evaluation of clinical pharmacokinetic study of ambroxol hydrochloride tablet after oral administration to 12 healthy volunteers. PMID:22464560

  19. Sampling Strategy

    NASA Technical Reports Server (NTRS)

    2008-01-01

    Three locations to the right of the test dig area are identified for the first samples to be delivered to the Thermal and Evolved Gas Analyzer (TEGA), the Wet Chemistry Lab (WCL), and the Optical Microscope (OM) on NASA's Phoenix Mars Lander. These sampling areas are informally labeled 'Baby Bear', 'Mama Bear', and 'Papa Bear' respectively. This image was taken on the seventh day of the Mars mission, or Sol 7 (June 1, 2008) by the Surface Stereo Imager aboard NASA's Phoenix Mars Lander.

    The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.

  20. Moral Enhancement

    PubMed Central

    Douglas, Thomas

    2008-01-01

    Opponents of biomedical enhancement often claim that, even if such enhancement would benefit the enhanced, it would harm others. But this objection looks unpersuasive when the enhancement in question is a moral enhancement — an enhancement that will expectably leave the enhanced person with morally better motives than she had previously. In this article I (1) describe one type of psychological alteration that would plausibly qualify as a moral enhancement, (2) argue that we will, in the medium-term future, probably be able to induce such alterations via biomedical intervention, and (3) defend future engagement in such moral enhancements against possible objections. My aim is to present this kind of moral enhancement as a counter-example to the view that biomedical enhancement is always morally impermissible. PMID:19132138

  1. Enhanced methods for conditioning, storage, and extraction of liquid and solid samples of manure for determination of steroid hormones by solid-phase extraction and gas chromatography-mass spectrometry.

    PubMed

    Combalbert, Sarah; Pype, Marie-Laure; Bernet, Nicolas; Hernandez-Raquet, Guillermina

    2010-09-01

    Hormones are among the highest-impact endocrine disrupters affecting living organisms in aquatic environments. These molecules have been measured in both wastewater and sewage sludge. Analytical techniques for such matrices are well described in the literature. In contrast, there is little information about the analysis of hormones in animal waste. The objectives of this study were, first, to propose a method for conditioning swine manure samples (addition of formaldehyde, separation of the solid and liquid phases, and duration of storage) in order to determine hormones in the liquid fraction of manure by solid-phase extraction (SPE) coupled with gas chromatography-mass spectrometry (GC-MS). Our results showed that analysis of hormones was affected by matrix changes which occurred during freezing and thawing and after addition of formaldehyde, an additive frequently used to preserve environmental samples. Thus, our results argue for the conditioning of samples without formaldehyde and for separating the solid and liquid fractions of manure before freezing. Second, this study reports on the use of a liquid extraction method coupled with SPE and GC-MS analysis for determination of hormones in the solid fraction of manure. Under the conditions selected, hormone recoveries were between 80 and 100%. Finally, the optimized method was used to quantify hormones in both liquid and solid fractions of swine manure from different breeding units. High levels of estrone and α-estradiol were found in samples whereas β-estradiol was detected in smaller amounts. Estriol and progesterone were mainly found in manure from the gestating sow building whereas testosterone was detected in manure from male breeding buildings.

  2. Sphingomyelin SM(d18:1/18:0) is significantly enhanced in cerebrospinal fluid samples dichotomized by pathological amyloid-β42, tau, and phospho-tau-181 levels.

    PubMed

    Koal, Therese; Klavins, Kristaps; Seppi, Daniele; Kemmler, Georg; Humpel, Christian

    2015-01-01

    Alzheimer's disease (AD) is a severe and chronic neurodegenerative disorder of the brain. The laboratory diagnosis is limited to the analysis of three biomarkers in cerebrospinal fluid (CSF): amyloid-β42 (Aβ42), total tau, and phospho-tau-181 (P-tau-181). However, there is a need to find more biomarkers in CSF that can improve the sensitivity and specificity. The aim of the present study was to analyze endogenous small metabolites (metabolome) in the CSF, which may provide potentially new insights into biochemical processes involved in AD. One hundred CSF samples were dichotomized by normal (n = 50) and pathological decreased Aβ42 and increased tau and P-tau-181 levels (n = 50; correlating to an AD-like pathology). These CSF samples were analyzed using the AbsoluteIDQ® p180 Kit (BIOCRATES Life Sciences), which included 40 acylcarnitines, 21 amino acids, 19 biogenic amines, 15 sphingolipids, and 90 glycerophospholipids. Our data show that two sphingomyelins (SM (d18:1/18:0) and SM (d18:1/18:1)), 5 glycerophospholipids (PC aa C32:0, PC aa C34:1, PC aa C36:1, PC aa C38:4 and PC aa C38:6), and 1 acylcarnitine (C3-DC-M/C5-OH) were significantly altered in the CSF with pathological "AD-like pathology". Sphingomyelin SM (d18:1/18:0) proved to be a specific (76%) and sensitive (66%) biomarker with a defined cut-off of 546 nM. Correct diagnoses for 21 out of 32 unknown samples could be achieved using this SM (d18:1/18:0) cut-off value. In conclusion, the sphingolipid SM (d18:1/18:0) is significantly increased in CSF of patients displaying pathological levels of Aβ42, tau, and P-tau-181.

  3. 40 CFR 141.703 - Sampling locations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 141.703 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source Water Monitoring Requirements § 141.703 Sampling locations. (a) Systems required to conduct source water...

  4. 40 CFR 141.702 - Sampling schedules.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 141.702 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source Water Monitoring Requirements § 141.702 Sampling schedules. (a) Systems required to conduct source water...

  5. 40 CFR 141.702 - Sampling schedules.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 141.702 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source Water Monitoring Requirements § 141.702 Sampling schedules. (a) Systems required to conduct source water...

  6. 40 CFR 141.702 - Sampling schedules.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 141.702 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source Water Monitoring Requirements § 141.702 Sampling schedules. (a) Systems required to conduct source water...

  7. 40 CFR 141.702 - Sampling schedules.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 141.702 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source Water Monitoring Requirements § 141.702 Sampling schedules. (a) Systems required to conduct source water...

  8. Self-reported oral health among a community sample of people experiencing social and health inequities: cross-sectional findings from a study to enhance equity in primary healthcare settings

    PubMed Central

    Wallace, Bruce; Browne, Annette J; Varcoe, Colleen; Ford-Gilboe, Marilyn; Wathen, Nadine; Long, Phoebe M; Parker, Joanne

    2015-01-01

    Objective To describe the self-reported oral health issues among a community sample of primary care clients experiencing socioeconomic disadvantages. Methods As part of a larger mixed-methods, multiple case study evaluating an equity-oriented primary healthcare intervention, we examined the oral health of a sample of 567 people receiving care at four clinics that serve marginalised populations in two Canadian provinces. Data collected included self-rated oral health and experiences accessing and receiving healthcare, standard self-report measures of health and quality of life, and sociodemographic information. Results The prevalence of self-rated poor oral health was high, with almost half (46.3%) of the participants reporting poor or fair oral health. Significant relationships were observed between poor oral health and vulnerabilities related to mental health, trauma and housing instability. Our findings suggest that the oral health of some Canadian populations may be dramatically worse than what is reported in existing population health surveys. Conclusions Our findings reinforce the importance of addressing oral health as part of health equity strategies. The health and oral health issues experienced by this client cohort highlight the need for interdisciplinary, team-based care that can address the intersections among people's health status, oral health and social issues. PMID:26700285

  9. Enhancing Employee Skills.

    ERIC Educational Resources Information Center

    1999

    This document contains four symposium papers on enhancing employee skills. "The Effect of Study Skills Training Intervention on United States Air Force Aeromedical Apprentices" (John C. Griffith) demonstrates how study skills intervention resulted in a significant increase in the end-of-course scores of a sample of 90 randomly selected Air Force…

  10. A Mars Sample Return Sample Handling System

    NASA Technical Reports Server (NTRS)

    Wilson, David; Stroker, Carol

    2013-01-01

    We present a sample handling system, a subsystem of the proposed Dragon landed Mars Sample Return (MSR) mission [1], that can return to Earth orbit a significant mass of frozen Mars samples potentially consisting of: rock cores, subsurface drilled rock and ice cuttings, pebble sized rocks, and soil scoops. The sample collection, storage, retrieval and packaging assumptions and concepts in this study are applicable for the NASA's MPPG MSR mission architecture options [2]. Our study assumes a predecessor rover mission collects samples for return to Earth to address questions on: past life, climate change, water history, age dating, understanding Mars interior evolution [3], and, human safety and in-situ resource utilization. Hence the rover will have "integrated priorities for rock sampling" [3] that cover collection of subaqueous or hydrothermal sediments, low-temperature fluidaltered rocks, unaltered igneous rocks, regolith and atmosphere samples. Samples could include: drilled rock cores, alluvial and fluvial deposits, subsurface ice and soils, clays, sulfates, salts including perchlorates, aeolian deposits, and concretions. Thus samples will have a broad range of bulk densities, and require for Earth based analysis where practical: in-situ characterization, management of degradation such as perchlorate deliquescence and volatile release, and contamination management. We propose to adopt a sample container with a set of cups each with a sample from a specific location. We considered two sample cups sizes: (1) a small cup sized for samples matching those submitted to in-situ characterization instruments, and, (2) a larger cup for 100 mm rock cores [4] and pebble sized rocks, thus providing diverse samples and optimizing the MSR sample mass payload fraction for a given payload volume. We minimize sample degradation by keeping them frozen in the MSR payload sample canister using Peltier chip cooling. The cups are sealed by interference fitted heat activated memory

  11. A combined approach for the enhanced detection and isolation of Bartonella species in dog blood samples: pre-enrichment liquid culture followed by PCR and subculture onto agar plates.

    PubMed

    Duncan, Ashlee W; Maggi, Ricardo G; Breitschwerdt, Edward B

    2007-05-01

    Historically, direct plating, lysis centrifugation, or freeze-thaw approaches have proven to be highly insensitive methods for confirming Bartonella species infection in dogs. A prospective study was designed to compare diagnostic methods for the detection of Bartonella using samples submitted to the Vector-Borne Disease Diagnostic Laboratory at North Carolina State University. Methods included indirect immunofluorescence assay, PCR, direct inoculation of a blood agar plate (trypticase soy agar with 5% rabbit blood), and inoculation into a novel pre-enrichment liquid medium, Bartonella/alpha-Proteobacteria growth medium (BAPGM). Sequential research efforts resulted in the development of a combinational approach consisting of pre-enrichment culture of Bartonella species in BAPGM, sub-inoculation of the liquid culture onto agar plates, followed by DNA amplification using PCR. The multi-faceted approach resulted in substantial improvement in the microbiological detection and isolation of Bartonella when compared to direct inoculation of a blood agar plate. Importantly, this approach facilitated the detection and subsequent isolation of both single and co-infections with two Bartonella species in the blood of naturally infected dogs. The use of a combinational approach of pre-enrichment culture and PCR may assist in the diagnostic confirmation of bartonellosis in dogs and other animals.

  12. Force-Control Algorithm for Surface Sampling

    NASA Technical Reports Server (NTRS)

    Acikmese, Behcet; Quadrelli, Marco B.; Phan, Linh

    2008-01-01

    A G-FCON algorithm is designed for small-body surface sampling. It has a linearization component and a feedback component to enhance performance. The algorithm regulates the contact force between the tip of a robotic arm attached to a spacecraft and a surface during sampling.

  13. Biocatalyst Enhancement

    EPA Science Inventory

    The increasing availability of enzyme collections has assisted attempts by pharmaceutical producers to adopt green chemistry approaches to manufacturing. A joint effort between an enzyme producer and a pharmaceutical manufacturer has been enhanced over the past three years by ena...

  14. Selecting a Sample

    ERIC Educational Resources Information Center

    Ritter, Lois A., Ed.; Sue, Valerie M., Ed.

    2007-01-01

    This chapter provides an overview of sampling methods that are appropriate for conducting online surveys. The authors review some of the basic concepts relevant to online survey sampling, present some probability and nonprobability techniques for selecting a sample, and briefly discuss sample size determination and nonresponse bias. Although some…

  15. Fluid sampling tool

    DOEpatents

    Garcia, Anthony R.; Johnston, Roger G.; Martinez, Ronald K.

    2000-01-01

    A fluid-sampling tool for obtaining a fluid sample from a container. When used in combination with a rotatable drill, the tool bores a hole into a container wall, withdraws a fluid sample from the container, and seals the borehole. The tool collects fluid sample without exposing the operator or the environment to the fluid or to wall shavings from the container.

  16. Dissolver Off-gas Hot Operations Authorization (AFCI CETE Milestone Report)

    SciTech Connect

    Jubin, Robert Thomas

    2009-06-01

    The head-end processing of the Coupled-End-to-End (CETE) Demonstration includes fuel receipt, fuel disassembly, exposure of fuel (e.g., by segmenting the fuel pins), voloxidation of the fuel to separate tritium, and fuel dissolution. All of these processing steps with the exception of the dissolution step will be accomplished in the Irradiated Fuels Examination Laboratory (IFEL) (Building 3525). The final headend step will be performed in the Radiochemical Engineering Development Center (Building 7920). The primary purpose of the fuel dissolution step is to prepare the solid fuel for subsequent liquid separations steps. This is accomplished by dissolving the fuel solids using nitric acid. During the dissolution process gases are evolved. Oxides of nitrogen are the primary off-gas components generated by the reactions of nitric acid and the fuel oxides however, during the dissolution and sparging of the resulting solution, iodine, C-14 as carbon dioxide, xenon, and krypton gasses are also released to the off-gas stream. The Dissolver Off-gas treatment rack provides a means of trapping these volatile fission products and other gases via various trapping media. Specifically the rack will recover iodine on a solid sorbent bed, scrub NOx in a water/acid column, scrub CO{sub 2} in a caustic scrubber column, remove moisture with solid sorbent drier beds and recover Xe and Kr using solid absorbent beds. The primary purpose of this experimental rack and the off-gas rack associated with the voloxidation equipment located at IFEL is to close the material balances around the volatile gases and to provide an understanding of the impacts of specific processing conditions on the fractions of the volatile components released from the various head-end processing steps.

  17. A Comparative Study of Welded ODS Cladding materials for AFCI/GNEP Applications

    SciTech Connect

    Indrajit Charit; Megan Frary; Darryl Butt; K.L. Murty; Larry Zirker; James Cole; Mitchell Meyer; Rajiv S. Mishra; Mark Woltz

    2011-03-31

    This research project involved working on the pressure resistance welding of oxide dispersion strengthened (ODS) alloys which will have a large role to play in advanced nuclear reactors. The project also demonstrated the research collaboration between four universities and one nation laboratory (Idaho National Laboratory) with participation from an industry for developing for ODS alloys. These alloys contain a high number density of very fine oxide particles that can impart high temperature strength and radiation damage resistance suitable for in-core applications in advanced reactors. The conventional fusion welding techniques tend to produce porosity-laden microstructure in the weld region and lead to the agglomeration and non-uniform distribution of the neededoxide particles. That is why two solid state welding methods - pressure resistance welding (PRW) and friction stir welding (FSW) - were chosen to be evaluated in this project. The proposal is expected to support the development of Advanced Burner Reactors (ABR) under the GNEP program (now incorporated in Fuel Cycle R&D program). The outcomes of the concluded research include training of graduate and undergraduate students and get them interested in nuclear related research.

  18. Digital adaptive sampling.

    NASA Technical Reports Server (NTRS)

    Breazeale, G. J.; Jones, L. E.

    1971-01-01

    Discussion of digital adaptive sampling, which is consistently better than fixed sampling in noise-free cases. Adaptive sampling is shown to be feasible and, it is considered, should be studied further. It should be noted that adaptive sampling is a class of variable rate sampling in which the variability depends on system signals. Digital rather than analog laws should be studied, because cases can arise in which the analog signals are not even available. An extremely important problem is implementation.

  19. Apollo 14 rock samples

    NASA Technical Reports Server (NTRS)

    Carlson, I. C.

    1978-01-01

    Petrographic descriptions of all Apollo 14 samples larger than 1 cm in any dimension are presented. The sample description format consists of: (1) an introductory section which includes information on lunar sample location, orientation, and return containers, (2) a section on physical characteristics, which contains the sample mass, dimensions, and a brief description; (3) surface features, including zap pits, cavities, and fractures as seen in binocular view; (4) petrographic description, consisting of a binocular description and, if possible, a thin section description; and (5) a discussion of literature relevant to sample petrology is included for samples which have previously been examined by the scientific community.

  20. Rain sampling device

    DOEpatents

    Nelson, Danny A.; Tomich, Stanley D.; Glover, Donald W.; Allen, Errol V.; Hales, Jeremy M.; Dana, Marshall T.

    1991-01-01

    The present invention constitutes a rain sampling device adapted for independent operation at locations remote from the user which allows rainfall to be sampled in accordance with any schedule desired by the user. The rain sampling device includes a mechanism for directing wet precipitation into a chamber, a chamber for temporarily holding the precipitation during the process of collection, a valve mechanism for controllably releasing samples of said precipitation from said chamber, a means for distributing the samples released from the holding chamber into vessels adapted for permanently retaining these samples, and an electrical mechanism for regulating the operation of the device.

  1. Stardust Sample: Investigator's Guidebook

    NASA Technical Reports Server (NTRS)

    Allen, Carl

    2006-01-01

    In January 2006, the Stardust spacecraft returned the first in situ collection of samples from a comet, and the first samples of contemporary interstellar dust. Stardust is the first US sample return mission from a planetary body since Apollo, and the first ever from beyond the moon. This handbook is a basic reference source for allocation procedures and policies for Stardust samples. These samples consist of particles and particle residues in aerogel collectors, in aluminum foil, and in spacecraft components. Contamination control samples and unflown collection media are also available for allocation.

  2. Rain sampling device

    DOEpatents

    Nelson, D.A.; Tomich, S.D.; Glover, D.W.; Allen, E.V.; Hales, J.M.; Dana, M.T.

    1991-05-14

    The present invention constitutes a rain sampling device adapted for independent operation at locations remote from the user which allows rainfall to be sampled in accordance with any schedule desired by the user. The rain sampling device includes a mechanism for directing wet precipitation into a chamber, a chamber for temporarily holding the precipitation during the process of collection, a valve mechanism for controllably releasing samples of the precipitation from the chamber, a means for distributing the samples released from the holding chamber into vessels adapted for permanently retaining these samples, and an electrical mechanism for regulating the operation of the device. 11 figures.

  3. Enhancing Opportunities.

    ERIC Educational Resources Information Center

    Meyers, Michelle J.

    1994-01-01

    Hispanics can enhance their professional career by finding jobs with corporations that offer to pay for graduate tuition. This opportunity has positively influenced the careers of many Hispanics and has proven advantageous for corporations as well by increasing the knowledge and skills of their employees. (LP)

  4. GROUND WATER SAMPLING ISSUES

    EPA Science Inventory

    Obtaining representative ground water samples is important for site assessment and
    remedial performance monitoring objectives. Issues which must be considered prior to initiating a ground-water monitoring program include defining monitoring goals and objectives, sampling point...

  5. Improved Sampling Method Reduces Isokinetic Sampling Errors.

    ERIC Educational Resources Information Center

    Karels, Gale G.

    The particulate sampling system currently in use by the Bay Area Air Pollution Control District, San Francisco, California is described in this presentation for the 12th Conference on Methods in Air Pollution and Industrial Hygiene Studies, University of Southern California, April, 1971. The method represents a practical, inexpensive tool that can…

  6. Parallelized nested sampling

    NASA Astrophysics Data System (ADS)

    Henderson, R. Wesley; Goggans, Paul M.

    2014-12-01

    One of the important advantages of nested sampling as an MCMC technique is its ability to draw representative samples from multimodal distributions and distributions with other degeneracies. This coverage is accomplished by maintaining a number of so-called live samples within a likelihood constraint. In usual practice, at each step, only the sample with the least likelihood is discarded from this set of live samples and replaced. In [1], Skilling shows that for a given number of live samples, discarding only one sample yields the highest precision in estimation of the log-evidence. However, if we increase the number of live samples, more samples can be discarded at once while still maintaining the same precision. For computer code running only serially, this modification would considerably increase the wall clock time necessary to reach convergence. However, if we use a computer with parallel processing capabilities, and we write our code to take advantage of this parallelism to replace multiple samples concurrently, the performance penalty can be eliminated entirely and possibly reversed. In this case, we must use the more general equation in [1] for computing the expectation of the shrinkage distribution: E [- log t]= (N r-r+1)-1+(Nr-r+2)-1+⋯+Nr-1, for shrinkage t with Nr live samples and r samples discarded at each iteration. The equation for the variance Var (- log t)= (N r-r+1)-2+(Nr-r+2)-2+⋯+Nr-2 is used to find the appropriate number of live samples Nr to use with r > 1 to match the variance achieved with N1 live samples and r = 1. In this paper, we show that by replacing multiple discarded samples in parallel, we are able to achieve a more thorough sampling of the constrained prior distribution, reduce runtime, and increase precision.

  7. Developing Water Sampling Standards

    ERIC Educational Resources Information Center

    Environmental Science and Technology, 1974

    1974-01-01

    Participants in the D-19 symposium on aquatic sampling and measurement for water pollution assessment were informed that determining the extent of waste water stream pollution is not a cut and dry procedure. Topics discussed include field sampling, representative sampling from storm sewers, suggested sampler features and application of improved…

  8. SAMPLING OF CONTAMINATED SITES

    EPA Science Inventory

    A critical aspect of characterization of the amount and species of contamination of a hazardous waste site is the sampling plan developed for that site. f the sampling plan is not thoroughly conceptualized before sampling takes place, then certain critical aspects of the limits o...

  9. ORGANIC SPECIATION SAMPLING ARTIFACTS

    EPA Science Inventory

    Sampling artifacts for molecular markers from organic speciation of particulate matter were investigated by analyzing forty-one samples collected in Philadelphia as a part of the Northeast Oxidant and Particulate Study (NEOPS). Samples were collected using a high volume sampler ...

  10. Decision by Sampling

    ERIC Educational Resources Information Center

    Stewart, Neil; Chater, Nick; Brown, Gordon D. A.

    2006-01-01

    We present a theory of decision by sampling (DbS) in which, in contrast with traditional models, there are no underlying psychoeconomic scales. Instead, we assume that an attribute's subjective value is constructed from a series of binary, ordinal comparisons to a sample of attribute values drawn from memory and is its rank within the sample. We…

  11. Aerosol sampling system

    DOEpatents

    Masquelier, Donald A.

    2004-02-10

    A system for sampling air and collecting particulate of a predetermined particle size range. A low pass section has an opening of a preselected size for gathering the air but excluding particles larger than the sample particles. An impactor section is connected to the low pass section and separates the air flow into a bypass air flow that does not contain the sample particles and a product air flow that does contain the sample particles. A wetted-wall cyclone collector, connected to the impactor section, receives the product air flow and traps the sample particles in a liquid.

  12. Rockballer Sample Acquisition Tool

    NASA Technical Reports Server (NTRS)

    Giersch, Louis R.; Cook, Brant T.

    2013-01-01

    It would be desirable to acquire rock and/or ice samples that extend below the surface of the parent rock or ice in extraterrestrial environments such as the Moon, Mars, comets, and asteroids. Such samples would allow measurements to be made further back into the geologic history of the rock, providing critical insight into the history of the local environment and the solar system. Such samples could also be necessary for sample return mission architectures that would acquire samples from extraterrestrial environments for return to Earth for more detailed scientific investigation.

  13. Sample Caching Subsystem

    NASA Technical Reports Server (NTRS)

    Backes, Paul G.; Collins, Curtis L.

    2007-01-01

    A paper describes the Sample Caching Subsystem (SCS), a method for storing planetary core and soil samples in a container that seals the samples away from the environment to protect the integrity of the samples and any organics they might contain. This process places samples in individual sleeves that are sealed within a container for use by either the current mission or by following missions. A sample container is stored with its sleeves partially inserted. When a sample is ready to be contained, a transfer arm rotates over and grasps a sleeve, pulls it out of the container from below, rotates over and inserts the sleeve into a funnel where it is passively locked into place and then released from the arm. An external sampling tool deposits the sample into the sleeve, which is aligned with the tool via passive compliance of the funnel. After the sampling tool leaves the funnel, the arm retrieves the sleeve and inserts it all the way into the sample container. This action engages the seal. Full containers can be left behind for pick-up by subsequent science missions, and container dimensions are compatible for placement in a Mars Ascent Vehicle for later return to Earth.

  14. The Lunar Sample Compendium

    NASA Technical Reports Server (NTRS)

    Meyer, Charles

    2009-01-01

    The Lunar Sample Compendium is a succinct summary of the data obtained from 40 years of study of Apollo and Luna samples of the Moon. Basic petrographic, chemical and age information is compiled, sample-by-sample, in the form of an advanced catalog in order to provide a basic description of each sample. The LSC can be found online using Google. The initial allocation of lunar samples was done sparingly, because it was realized that scientific techniques would improve over the years and new questions would be formulated. The LSC is important because it enables scientists to select samples within the context of the work that has already been done and facilitates better review of proposed allocations. It also provides back up material for public displays, captures information found only in abstracts, grey literature and curatorial databases and serves as a ready access to the now-vast scientific literature.

  15. Phylogenetic effective sample size.

    PubMed

    Bartoszek, Krzysztof

    2016-10-21

    In this paper I address the question-how large is a phylogenetic sample? I propose a definition of a phylogenetic effective sample size for Brownian motion and Ornstein-Uhlenbeck processes-the regression effective sample size. I discuss how mutual information can be used to define an effective sample size in the non-normal process case and compare these two definitions to an already present concept of effective sample size (the mean effective sample size). Through a simulation study I find that the AICc is robust if one corrects for the number of species or effective number of species. Lastly I discuss how the concept of the phylogenetic effective sample size can be useful for biodiversity quantification, identification of interesting clades and deciding on the importance of phylogenetic correlations. PMID:27343033

  16. Sample Proficiency Test exercise

    SciTech Connect

    Alcaraz, A; Gregg, H; Koester, C

    2006-02-05

    The current format of the OPCW proficiency tests has multiple sets of 2 samples sent to an analysis laboratory. In each sample set, one is identified as a sample, the other as a blank. This method of conducting proficiency tests differs from how an OPCW designated laboratory would receive authentic samples (a set of three containers, each not identified, consisting of the authentic sample, a control sample, and a blank sample). This exercise was designed to test the reporting if the proficiency tests were to be conducted. As such, this is not an official OPCW proficiency test, and the attached report is one method by which LLNL might report their analyses under a more realistic testing scheme. Therefore, the title on the report ''Report of the Umpteenth Official OPCW Proficiency Test'' is meaningless, and provides a bit of whimsy for the analyses and readers of the report.

  17. Curation of Frozen Samples

    NASA Technical Reports Server (NTRS)

    Fletcher, L. A.; Allen, C. C.; Bastien, R.

    2008-01-01

    NASA's Johnson Space Center (JSC) and the Astromaterials Curator are charged by NPD 7100.10D with the curation of all of NASA s extraterrestrial samples, including those from future missions. This responsibility includes the development of new sample handling and preparation techniques; therefore, the Astromaterials Curator must begin developing procedures to preserve, prepare and ship samples at sub-freezing temperatures in order to enable future sample return missions. Such missions might include the return of future frozen samples from permanently-shadowed lunar craters, the nuclei of comets, the surface of Mars, etc. We are demonstrating the ability to curate samples under cold conditions by designing, installing and testing a cold curation glovebox. This glovebox will allow us to store, document, manipulate and subdivide frozen samples while quantifying and minimizing contamination throughout the curation process.

  18. Lunar Sample Compendium

    NASA Technical Reports Server (NTRS)

    Meyer, C.

    2009-01-01

    The Lunar Sample Compendium is a succinct summary of what has been learned from the study of Apollo and Luna samples of the Moon. Basic information is compiled, sample-by-sample, in the form of an advanced catalog in order to provide a basic description of each sample. Information presented is carefully attributed to the original source publication, thus the Compendium also serves as a ready access to the now vast scientific literature pertaining to lunar smples. The Lunar Sample Compendium is a work in progress (and may always be). Future plans include: adding sections on additional samples, adding new thin section photomicrographs, replacing the faded photographs with newly digitized photos from the original negatives, attempting to correct the age data using modern decay constants, adding references to each section, and adding an internal search engine.

  19. Urine sample collection protocols for bioassay samples

    SciTech Connect

    MacLellan, J.A.; McFadden, K.M.

    1992-11-01

    In vitro radiobioassay analyses are used to measure the amount of radioactive material excreted by personnel exposed to the potential intake of radioactive material. The analytical results are then used with various metabolic models to estimate the amount of radioactive material in the subject's body and the original intake of radioactive material. Proper application of these metabolic models requires knowledge of the excretion period. It is normal practice to design the bioassay program based on a 24-hour excretion sample. The Hanford bioassay program simulates a total 24-hour urine excretion sample with urine collection periods lasting from one-half hour before retiring to one-half hour after rising on two consecutive days. Urine passed during the specified periods is collected in three 1-L bottles. Because the daily excretion volume given in Publication 23 of the International Commission on Radiological Protection (ICRP 1975, p. 354) for Reference Man is 1.4 L, it was proposed to use only two 1-L bottles as a cost-saving measure. This raised the broader question of what should be the design capacity of a 24-hour urine sample kit.

  20. Urine sample collection protocols for bioassay samples

    SciTech Connect

    MacLellan, J.A.; McFadden, K.M.

    1992-11-01

    In vitro radiobioassay analyses are used to measure the amount of radioactive material excreted by personnel exposed to the potential intake of radioactive material. The analytical results are then used with various metabolic models to estimate the amount of radioactive material in the subject`s body and the original intake of radioactive material. Proper application of these metabolic models requires knowledge of the excretion period. It is normal practice to design the bioassay program based on a 24-hour excretion sample. The Hanford bioassay program simulates a total 24-hour urine excretion sample with urine collection periods lasting from one-half hour before retiring to one-half hour after rising on two consecutive days. Urine passed during the specified periods is collected in three 1-L bottles. Because the daily excretion volume given in Publication 23 of the International Commission on Radiological Protection (ICRP 1975, p. 354) for Reference Man is 1.4 L, it was proposed to use only two 1-L bottles as a cost-saving measure. This raised the broader question of what should be the design capacity of a 24-hour urine sample kit.

  1. Sampling diffusive transition paths

    SciTech Connect

    F. Miller III, Thomas; Predescu, Cristian

    2006-10-12

    We address the problem of sampling double-ended diffusive paths. The ensemble of paths is expressed using a symmetric version of the Onsager-Machlup formula, which only requires evaluation of the force field and which, upon direct time discretization, gives rise to a symmetric integrator that is accurate to second order. Efficiently sampling this ensemble requires avoiding the well-known stiffness problem associated with sampling infinitesimal Brownian increments of the path, as well as a different type of stiffness associated with sampling the coarse features of long paths. The fine-features sampling stiffness is eliminated with the use of the fast sampling algorithm (FSA), and the coarse-feature sampling stiffness is avoided by introducing the sliding and sampling (S&S) algorithm. A key feature of the S&S algorithm is that it enables massively parallel computers to sample diffusive trajectories that are long in time. We use the algorithm to sample the transition path ensemble for the structural interconversion of the 38-atom Lennard-Jones cluster at low temperature.

  2. Sampling in Qualitative Research

    PubMed Central

    LUBORSKY, MARK R.; RUBINSTEIN, ROBERT L.

    2011-01-01

    In gerontology the most recognized and elaborate discourse about sampling is generally thought to be in quantitative research associated with survey research and medical research. But sampling has long been a central concern in the social and humanistic inquiry, albeit in a different guise suited to the different goals. There is a need for more explicit discussion of qualitative sampling issues. This article will outline the guiding principles and rationales, features, and practices of sampling in qualitative research. It then describes common questions about sampling in qualitative research. In conclusion it proposes the concept of qualitative clarity as a set of principles (analogous to statistical power) to guide assessments of qualitative sampling in a particular study or proposal. PMID:22058580

  3. Sampling functions for geophysics

    NASA Technical Reports Server (NTRS)

    Giacaglia, G. E. O.; Lunquist, C. A.

    1972-01-01

    A set of spherical sampling functions is defined such that they are related to spherical-harmonic functions in the same way that the sampling functions of information theory are related to sine and cosine functions. An orderly distribution of (N + 1) squared sampling points on a sphere is given, for which the (N + 1) squared spherical sampling functions span the same linear manifold as do the spherical-harmonic functions through degree N. The transformations between the spherical sampling functions and the spherical-harmonic functions are given by recurrence relations. The spherical sampling functions of two arguments are extended to three arguments and to nonspherical reference surfaces. Typical applications of this formalism to geophysical topics are sketched.

  4. Sample positioning in microgravity

    NASA Technical Reports Server (NTRS)

    Sridharan, Govind (Inventor)

    1991-01-01

    Repulsion forces arising from laser beams are provided to produce mild positioning forces on a sample in microgravity vacuum environments. The system of the preferred embodiment positions samples using a plurality of pulsed lasers providing opposing repulsion forces. The lasers are positioned around the periphery of a confinement area and expanded to create a confinement zone. The grouped laser configuration, in coordination with position sensing devices, creates a feedback servo whereby stable position control of a sample within microgravity environment can be achieved.

  5. Sample positioning in microgravity

    NASA Technical Reports Server (NTRS)

    Sridharan, Govind (Inventor)

    1993-01-01

    Repulsion forces arising from laser beams are provided to produce mild positioning forces on a sample in microgravity vacuum environments. The system of the preferred embodiment positions samples using a plurality of pulsed lasers providing opposing repulsion forces. The lasers are positioned around the periphery of a confinement area and expanded to create a confinement zone. The grouped laser configuration, in coordination with position sensing devices, creates a feedback servo whereby stable position control of a sample within microgravity environment can be achieved.

  6. Utilizing scattering to further enhance integrating cavity-enhanced spectroscopy

    NASA Astrophysics Data System (ADS)

    Bixler, Joel N.; Winkler, Chase A.; Hokr, Brett H.; Mason, John D.; Yakovlev, Vladislav V.

    2016-01-01

    Spectroscopic optical characterization and identification of molecular structures and complex systems would greatly benefit from new technologies capable of analyzing molecular species in small quantities with maximum sensitivity and specificity. Integrating cavity-enhanced spectroscopy has recently been shown as a viable tool for achieving this goal. This technique could greatly benefit from methods for further enhancing the desired spectroscopic signal, allowing for lower detection limits. Here, we present a simple method to further enhance fluorescence signal generated inside an integrating cavity by introducing additional scattering to the sample of interest.

  7. Statistical distribution sampling

    NASA Technical Reports Server (NTRS)

    Johnson, E. S.

    1975-01-01

    Determining the distribution of statistics by sampling was investigated. Characteristic functions, the quadratic regression problem, and the differential equations for the characteristic functions are analyzed.

  8. Nested sampling with demons

    NASA Astrophysics Data System (ADS)

    Habeck, Michael

    2015-01-01

    This article looks at Skilling's nested sampling from a physical perspective and interprets it as a microcanonical demon algorithm. Using key quantities of statistical physics we investigate the performance of nested sampling on complex systems such as Ising, Potts and protein models. We show that releasing multiple demons helps to smooth the truncated prior and eases sampling from it because the demons keep the particle off the constraint boundary. For continuous systems it is straightforward to extend this approach and formulate a phase space version of nested sampling that benefits from correlated explorations guided by Hamiltonian dynamics.

  9. Enhancing bioremediation

    SciTech Connect

    Koenigsberg, S.

    1997-02-01

    Oxygen is often the limiting factor in aerobic bioremediation. Without adequate oxygen, contaminant degradation will either cease or proceed by highly inefficient anaerobic processes. Researchers at Regenesis Bioremediation Products recently develope a technology to combat this problem, Oxygen Release Compound (ORC) a unique formulation of magnesium peroxide release oxygen slowly when hydrated. ORC is idea for supporting bioremediation of underground storage tank releases. ORC treatment represents a low intensity approach to remediation - simple, passive, low-cost, long term enhancement of a natural attenuation. 1 fig.

  10. 40 CFR 141.703 - Sampling locations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source Water... under § 141.701 must collect samples for each plant that treats a surface water or GWUDI source. Where multiple plants draw water from the same influent, such as the same pipe or intake, the State may...

  11. 40 CFR 141.703 - Sampling locations.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source Water... under § 141.701 must collect samples for each plant that treats a surface water or GWUDI source. Where multiple plants draw water from the same influent, such as the same pipe or intake, the State may...

  12. 40 CFR 141.703 - Sampling locations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source Water... under § 141.701 must collect samples for each plant that treats a surface water or GWUDI source. Where multiple plants draw water from the same influent, such as the same pipe or intake, the State may...

  13. 40 CFR 141.703 - Sampling locations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... under § 141.701 must collect samples for each plant that treats a surface water or GWUDI source. Where... 141.703 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) NATIONAL PRIMARY DRINKING WATER REGULATIONS Enhanced Treatment for Cryptosporidium Source...

  14. Urine sample (image)

    MedlinePlus

    ... catch" urine sample is performed by collecting the sample of urine in midstream. Men or boys should wipe clean the head of the penis. Women or girls need to wash the area between the lips of the vagina with soapy water and rinse well. A small amount of urine ...

  15. National Sample Assessment Protocols

    ERIC Educational Resources Information Center

    Ministerial Council on Education, Employment, Training and Youth Affairs (NJ1), 2012

    2012-01-01

    These protocols represent a working guide for planning and implementing national sample assessments in connection with the national Key Performance Measures (KPMs). The protocols are intended for agencies involved in planning or conducting national sample assessments and personnel responsible for administering associated tenders or contracts,…

  16. Adaptive Sampling Proxy Application

    2012-10-22

    ASPA is an implementation of an adaptive sampling algorithm [1-3], which is used to reduce the computational expense of computer simulations that couple disparate physical scales. The purpose of ASPA is to encapsulate the algorithms required for adaptive sampling independently from any specific application, so that alternative algorithms and programming models for exascale computers can be investigated more easily.

  17. Creating Sample Plans

    1999-03-24

    The program has been designed to increase the accuracy and reduce the preparation time for completing sampling plans. It consists of our files 1. Analyte/Combination (AnalCombo) A list of analytes and combinations of analytes that can be requested of the onsite and offsite labs. Whenever a specific combination of analytes or suite names appear on the same line as the code number, this indicates that one sample can be placed in one bottle to bemore » analyzed for these paremeters. A code number is assigned for each analyte and combination of analytes. 2. Sampling Plans Database (SPDb) A database that contains all of the analytes and combinations of analytes along with the basic information required for preparing a sample plan. That basic information includes the following fields; matrix, hold time, preservation, sample volume, container size, if the bottle caps are taped, acceptable choices. 3. Sampling plans create (SPcreate) a file that will lookup information from the Sampling Plans Database and the Job Log File (JLF98) A major database used by Sample Managemnet Services for recording more than 100 fields of information.« less

  18. Sampling system and method

    DOEpatents

    Decker, David L.; Lyles, Brad F.; Purcell, Richard G.; Hershey, Ronald Lee

    2013-04-16

    The present disclosure provides an apparatus and method for coupling conduit segments together. A first pump obtains a sample and transmits it through a first conduit to a reservoir accessible by a second pump. The second pump further conducts the sample from the reservoir through a second conduit.

  19. Biological sample collector

    DOEpatents

    Murphy, Gloria A.

    2010-09-07

    A biological sample collector is adapted to a collect several biological samples in a plurality of filter wells. A biological sample collector may comprise a manifold plate for mounting a filter plate thereon, the filter plate having a plurality of filter wells therein; a hollow slider for engaging and positioning a tube that slides therethrough; and a slide case within which the hollow slider travels to allow the tube to be aligned with a selected filter well of the plurality of filter wells, wherein when the tube is aligned with the selected filter well, the tube is pushed through the hollow slider and into the selected filter well to sealingly engage the selected filter well and to allow the tube to deposit a biological sample onto a filter in the bottom of the selected filter well. The biological sample collector may be portable.

  20. AUTOMATING GROUNDWATER SAMPLING AT HANFORD

    SciTech Connect

    CONNELL CW; HILDEBRAND RD; CONLEY SF; CUNNINGHAM DE

    2009-01-16

    information recorded, and enhance the efficiency and sampling capacity of field personnel. The goal of the effort is to eliminate 100 percent of the manual input to the database(s) and replace the management of paperwork by the field and clerical personnel with an almost entirely electronic process. These activities will include the following: scheduling the activities of the field teams, electronically recording water-level measurements, electronically logging and filing Groundwater Sampling Reports (GSR), and transferring field forms into the site-wide Integrated Document Management System (IDMS).

  1. EDITORIAL: Enhancing nanolithography Enhancing nanolithography

    NASA Astrophysics Data System (ADS)

    Demming, Anna

    2012-01-01

    Lithography was invented in late 18th century Bavaria by an ambitious young playwright named Alois Senefelder. Senefelder experimented with stone, wax, water and ink in the hope of finding a way of reproducing text so that he might financially gain from a wider distribution of his already successful scripts. His discovery not only facilitated the profitability of his plays, but also provided the world with an affordable printing press that would ultimately democratize the dissemination of art, knowledge and literature. Since Senefelder, experiments in lithography have continued with a range of innovations including the use of electron beams and UV that allow increasingly higher-resolution features [1, 2]. Applications for this have now breached the limits of paper printing into the realms of semiconductor and microelectronic mechanical systems technology. In this issue, researchers demonstrate a technique for fabricating periodic features in poly(3,4-ethylene dioxythiophene)-poly(styrenesulfonate) (PEDOT-PSS) [3]. Their method combines field enhancements from silica nanospheres with laser-interference lithography to provide a means of patterning a polymer that has the potential to open the market of low-end, high-volume microelectronics. Laser-interference lithography has already been used successfully in patterning. Researchers in Korea used laser-interference lithography to generate stamps for imprinting a two-dimensional photonic crystal structure into green light emitting diodes (LEDs) [4]. The imprinted patterns comprised depressions 100 nm deep and 180 nm wide with a periodicity of 295 nm. In comparison with unpatterned LEDs, the intensity of photoluminescence was enhanced by a factor of seven in the LEDs that had the photonic crystal structures imprinted in them. The potential of exploiting field enhancements around nanostructures for new technologies has also attracted a great deal of attention. Researchers in the USA and Australia have used the field

  2. Rapid Active Sampling Package

    NASA Technical Reports Server (NTRS)

    Peters, Gregory

    2010-01-01

    A field-deployable, battery-powered Rapid Active Sampling Package (RASP), originally designed for sampling strong materials during lunar and planetary missions, shows strong utility for terrestrial geological use. The technology is proving to be simple and effective for sampling and processing materials of strength. Although this originally was intended for planetary and lunar applications, the RASP is very useful as a powered hand tool for geologists and the mining industry to quickly sample and process rocks in the field on Earth. The RASP allows geologists to surgically acquire samples of rock for later laboratory analysis. This tool, roughly the size of a wrench, allows the user to cut away swaths of weathering rinds, revealing pristine rock surfaces for observation and subsequent sampling with the same tool. RASPing deeper (.3.5 cm) exposes single rock strata in-situ. Where a geologist fs hammer can only expose unweathered layers of rock, the RASP can do the same, and then has the added ability to capture and process samples into powder with particle sizes less than 150 microns, making it easier for XRD/XRF (x-ray diffraction/x-ray fluorescence). The tool uses a rotating rasp bit (or two counter-rotating bits) that resides inside or above the catch container. The container has an open slot to allow the bit to extend outside the container and to allow cuttings to enter and be caught. When the slot and rasp bit are in contact with a substrate, the bit is plunged into it in a matter of seconds to reach pristine rock. A user in the field may sample a rock multiple times at multiple depths in minutes, instead of having to cut out huge, heavy rock samples for transport back to a lab for analysis. Because of the speed and accuracy of the RASP, hundreds of samples can be taken in one day. RASP-acquired samples are small and easily carried. A user can characterize more area in less time than by using conventional methods. The field-deployable RASP used a Ni

  3. Waste classification sampling plan

    SciTech Connect

    Landsman, S.D.

    1998-05-27

    The purpose of this sampling is to explain the method used to collect and analyze data necessary to verify and/or determine the radionuclide content of the B-Cell decontamination and decommissioning waste stream so that the correct waste classification for the waste stream can be made, and to collect samples for studies of decontamination methods that could be used to remove fixed contamination present on the waste. The scope of this plan is to establish the technical basis for collecting samples and compiling quantitative data on the radioactive constituents present in waste generated during deactivation activities in B-Cell. Sampling and radioisotopic analysis will be performed on the fixed layers of contamination present on structural material and internal surfaces of process piping and tanks. In addition, dose rate measurements on existing waste material will be performed to determine the fraction of dose rate attributable to both removable and fixed contamination. Samples will also be collected to support studies of decontamination methods that are effective in removing the fixed contamination present on the waste. Sampling performed under this plan will meet criteria established in BNF-2596, Data Quality Objectives for the B-Cell Waste Stream Classification Sampling, J. M. Barnett, May 1998.

  4. Continuous sampling of MSWI dioxins.

    PubMed

    Hung, Pao-Chen; Chang, Shu-Hao; Buekens, Alfons; Chang, Moo-Been

    2016-02-01

    Municipal solid waste incineration (MSWI) is generally considered as a well-controlled source of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), in brief dioxins. Start-up conditions continue, however, to be problematic. A self-developed continuous sampler was specially designed and built to fulfill the various sampling criteria of U.S. EPA Method 23 and monitor the trends of dioxins emissions during diverse operating conditions. In the MSWI plant investigated, a 98.1% TEQ PCDD/F removal efficiency was achieved in normal operation using activated carbon injection + bag filtration (ACI + BF) and the corresponding PCDD/F emission remains well below the standard set by Taiwan EPA (0.1 ng I-TEQ/Nm(3) @ 11% O2). During start-up, however, continuous sampling indicates that this limit value is reached only after 12 and 9 days, respectively for the 1st (2011) and 2nd test campaign (2012). Only 15 days after start-up the PCDD/F emissions shrunk to the levels typically measured during normal operation. The PCDD/F emissions from the 1st and 2nd continuous sampling campaigns were 5.4 and 5.5 mg I-TEQ, respectively. Short-term PCDD/F sampling such as the U.S. EPA Method 23 is less adapted to monitor these transient PCDD/F emissions representatively and accurately, due to a steady decrease of PCDD/F emissions after start-up. This self-developed continuous sampler effectively enhances the ease and reliability of emission data collecting during transient conditions of MSWI.

  5. Sampling video compression system

    NASA Technical Reports Server (NTRS)

    Matsumoto, Y.; Lum, H. (Inventor)

    1977-01-01

    A system for transmitting video signal of compressed bandwidth is described. The transmitting station is provided with circuitry for dividing a picture to be transmitted into a plurality of blocks containing a checkerboard pattern of picture elements. Video signals along corresponding diagonal rows of picture elements in the respective blocks are regularly sampled. A transmitter responsive to the output of the sampling circuitry is included for transmitting the sampled video signals of one frame at a reduced bandwidth over a communication channel. The receiving station is provided with a frame memory for temporarily storing transmitted video signals of one frame at the original high bandwidth frequency.

  6. Sample positioning apparatus

    DOEpatents

    Bell, Thomas H.; Johnson, Jr., Charles H.; Lane, Robert L.; Martin, Bradley E.; Tyree, William H.

    1976-01-06

    Apparatus for use in alpha particle counting with such as photomultiplier tubes, comprising a platform and linkage mechanism whereby samples are moved in linear manner toward and away from ends of the photomultiplier tubes.

  7. Lunar sample contracts

    NASA Technical Reports Server (NTRS)

    Walker, R. M.

    1974-01-01

    The major scientific accomplishments through 1971 are reported for the particle track studies of lunar samples. Results are discussed of nuclear track measurements by optical and electron microscopy, thermoluminescence, X-ray diffraction, and differential thermal analysis.

  8. [Foetal sampling techniques].

    PubMed

    Levy, R; Arfi, J-S; Daffos, F

    2003-06-01

    This article describes the current techniques of foetal sampling. All of them are actually ultrasound guided, and therefore generally very safe. Nevertheless, an elaborate learning process remains indispensable, in addition to a particular attention to the quality of the physician-patient dialogue. The choice of a technique depends on the indication and on the term of the pregnancy. The most frequently used technique is amniocentesis which presents a low risk of foetal loss, estimated between 0.2 and 0.5 percent. The interest of chorionic villus sampling is the possibility to obtain results at an earlier stage of pregnancy, with a lower risk taking when compared to early amniocentesis. We prefer the transabdominal chorionic villus sampling to the transvaginal. Foetal blood sampling is still required in some cases, but the risk of complications is higher--around 1 percent. PMID:12865196

  9. Water Sample Concentrator

    SciTech Connect

    Idaho National Laboratory

    2009-07-21

    Automated portable device that concentrates and packages a sample of suspected contaminated water for safe, efficient transport to a qualified analytical laboratory. This technology will help safeguard against pathogen contamination or chemical and biolog

  10. Sealed container sampling device

    NASA Technical Reports Server (NTRS)

    Hennigan, T. J.

    1969-01-01

    Sampling device, by means of a tapered needle, pierces a sealed container while maintaining the seal and either evacuates or pressurizes the container. This device has many applications in the chemical, preservative and battery-manufacturing industries.

  11. Water Sample Concentrator

    ScienceCinema

    Idaho National Laboratory

    2016-07-12

    Automated portable device that concentrates and packages a sample of suspected contaminated water for safe, efficient transport to a qualified analytical laboratory. This technology will help safeguard against pathogen contamination or chemical and biolog

  12. Dissolution actuated sample container

    DOEpatents

    Nance, Thomas A.; McCoy, Frank T.

    2013-03-26

    A sample collection vial and process of using a vial is provided. The sample collection vial has an opening secured by a dissolvable plug. When dissolved, liquids may enter into the interior of the collection vial passing along one or more edges of a dissolvable blocking member. As the blocking member is dissolved, a spring actuated closure is directed towards the opening of the vial which, when engaged, secures the vial contents against loss or contamination.

  13. SAMPLING AND ANALYSIS PROTOCOLS

    SciTech Connect

    Jannik, T; P Fledderman, P

    2007-02-09

    Radiological sampling and analyses are performed to collect data for a variety of specific reasons covering a wide range of projects. These activities include: Effluent monitoring; Environmental surveillance; Emergency response; Routine ambient monitoring; Background assessments; Nuclear license termination; Remediation; Deactivation and decommissioning (D&D); and Waste management. In this chapter, effluent monitoring and environmental surveillance programs at nuclear operating facilities and radiological sampling and analysis plans for remediation and D&D activities will be discussed.

  14. TANK 5 SAMPLING

    SciTech Connect

    Vrettos, N; William Cheng, W; Thomas Nance, T

    2007-11-26

    Tank 5 at the Savannah River Site has been used to store high level waste and is currently undergoing waste removal processes in preparation for tank closure. Samples were taken from two locations to determine the contents in support of Documented Safety Analysis (DSA) development for chemical cleaning. These samples were obtained through the use of the Drop Core Sampler and the Snowbank Sampler developed by the Engineered Equipment & Systems (EES) group of the Savannah River National Laboratory (SRNL).

  15. Lunar Sample Compendium

    NASA Technical Reports Server (NTRS)

    Meyer, Charles

    2005-01-01

    The purpose of the Lunar Sample Compendium will be to inform scientists, astronauts and the public about the various lunar samples that have been returned from the Moon. This Compendium will be organized rock by rock in the manor of a catalog, but will not be as comprehensive, nor as complete, as the various lunar sample catalogs that are available. Likewise, this Compendium will not duplicate the various excellent books and reviews on the subject of lunar samples (Cadogen 1981, Heiken et al. 1991, Papike et al. 1998, Warren 2003, Eugster 2003). However, it is thought that an online Compendium, such as this, will prove useful to scientists proposing to study individual lunar samples and should help provide backup information for lunar sample displays. This Compendium will allow easy access to the scientific literature by briefly summarizing the significant findings of each rock along with the documentation of where the detailed scientific data are to be found. In general, discussion and interpretation of the results is left to the formal reviews found in the scientific literature. An advantage of this Compendium will be that it can be updated, expanded and corrected as need be.

  16. Liquid sampling system

    DOEpatents

    Larson, Loren L.

    1987-01-01

    A conduit extends from a reservoir through a sampling station and back to the reservoir in a closed loop. A jet ejector in the conduit establishes suction for withdrawing liquid from the reservoir. The conduit has a self-healing septum therein upstream of the jet ejector for receiving one end of a double-ended cannula, the other end of which is received in a serum bottle for sample collection. Gas is introduced into the conduit at a gas bleed between the sample collection bottle and the reservoir. The jet ejector evacuates gas from the conduit and the bottle and aspirates a column of liquid from the reservoir at a high rate. When the withdrawn liquid reaches the jet ejector the rate of flow therethrough reduces substantially and the gas bleed increases the pressure in the conduit for driving liquid into the sample bottle, the gas bleed forming a column of gas behind the withdrawn liquid column and interrupting the withdrawal of liquid from the reservoir. In the case of hazardous and toxic liquids, the sample bottle and the jet ejector may be isolated from the reservoir and may be further isolated from a control station containing remote manipulation means for the sample bottle and control valves for the jet ejector and gas bleed.

  17. Liquid sampling system

    DOEpatents

    Larson, L.L.

    1984-09-17

    A conduit extends from a reservoir through a sampling station and back to the reservoir in a closed loop. A jet ejector in the conduit establishes suction for withdrawing liquid from the reservoir. The conduit has a self-healing septum therein upstream of the jet ejector for receiving one end of a double-ended cannula, the other end of which is received in a serum bottle for sample collection. Gas is introduced into the conduit at a gas bleed between the sample collection bottle and the reservoir. The jet ejector evacuates gas from the conduit and the bottle and aspirates a column of liquid from the reservoir at a high rate. When the withdrawn liquid reaches the jet ejector the rate of flow therethrough reduces substantially and the gas bleed increases the pressure in the conduit for driving liquid into the sample bottle, the gas bleed forming a column of gas behind the withdrawn liquid column and interrupting the withdrawal of liquid from the reservoir. In the case of hazardous and toxic liquids, the sample bottle and the jet ejector may be isolated from the reservoir and may be further isolated from a control station containing remote manipulation means for the sample bottle and control valves for the jet ejector and gas bleed. 5 figs.

  18. Sample Return Science

    NASA Astrophysics Data System (ADS)

    Williford, K. H.; Allwood, A.; Beegle, L. W.; Bhartia, R.; Flannery, D.; Hoffmann, A.; Mora, M. F.; Orbay, J.; Petrizzo, D. A.; Tuite, M. L., Jr.; Willis, P. A.

    2014-12-01

    The first clear identification of an ancient habitable environment on Mars by the Mars Science Laboratory (MSL) rover mission relied on a synthetic analytical approach combining orbital and surface imagery and spectroscopy with sophisticated sample acquisition and handling technology including a rotary percussive drill that provided powdered rock for bulk geochemical analysis [1]. The recent announcement of the instrument package for the proposed NASA Mars2020 rover mission, including micro x-ray fluorescence (PIXL) for elemental mapping as well as scanning ultraviolet laser fluorescence and Raman (SHERLOC) suggests a shift in emphasis of Mars surface science towards spatially resolved geochemical analysis that will support the selection and acquisition of samples for coring, caching, and possible return to Earth for further analysis. During a recent field expedition to investigate Archean and Proterozoic biosignatures in the Pilbara region of Western Australia, we deployed a dry, rotary percussive coring drill with a bit assembly analogous to that being considered for Mars2020. Six targets of varying age and lithology were sampled with the coring drill, and surrounding and adjacent rock samples were collected simultaneously. These samples were subsequently prepared and subsampled for bulk and in situ, spatially resolved analysis using conventional laboratory methods as well as the existing PIXL and SHERLOC platforms currently in development. Here we present new approaches and data from this integrated and ongoing program of "sample return science" designed to simulate, and eventually reduce risk associated with a long-term effort towards Mars sample return. [1] Grotzinger, J.P. et al. 2014. Science 343 DOI: 10.1126/science.1242777.

  19. A sampling of molecular dynamics

    NASA Astrophysics Data System (ADS)

    Sindhikara, Daniel Jon

    The sheer vastness of the number of computations required to simulate a biological molecule puts incredible pressure on algorithms to be efficient while maintaining sufficient accuracy. This dissertation summarizes various projects whose purposes address the large span of types of problems in molecular dynamics simulations of biological systems including: increasing efficiency, measuring convergence, avoiding pitfalls, and an application and analysis of a biological system. Chapters 3 and 4 deal with an enhanced sampling algorithm called "replica exchange molecular dynamics" which is designed to speed-up molecular dynamics simulations. The optimization of a key parameter of these simulations is analyzed. In these successive projects, it was found conclusively that maximizing "exchange attempt frequency" is the most efficient way to run a replica exchange molecular dynamics simulation. Chapter 5 describes an enhanced metric for convergence in parallel simulations called the normalized ergodic measure. The metric is applied to several properties for several replica exchange simulations. Advantages of this metric over other methods are described. Chapter 6 describes the implementation and optimization of an enhanced sampling algorithm similar to replica exchange molecular dynamics called multicanonical algorithm replica exchange molecular dynamics. The algorithm was implemented into a biomolecular simulation suite called AMBER. Additionally several parameters were analyzed and optimized. In Chapter 7, a pitfall in molecular dynamics is observed in biological systems that is caused by negligent use of a simulation's "thermostat". It was found that if the same pseudorandom number seed were used for multiple systems, they eventually synchronize. In this project, synchronization was observed in biological molecules. Various negative effects including corruption of data are pointed out. Chapter 8 describes molecular dynamics simulation of NikR, a homotetrameric nickel

  20. Equilibrium molecular thermodynamics from Kirkwood sampling.

    PubMed

    Somani, Sandeep; Okamoto, Yuko; Ballard, Andrew J; Wales, David J

    2015-05-21

    We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys. 2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, where Kirkwood sampling is used for generating trial Monte Carlo moves. Using this method, equilibrium distributions corresponding to different temperatures and potential energy functions can be generated from a given set of low-order correlations. Since Kirkwood samples are generated independently, this method is ideally suited for massively parallel distributed computing. The second approach is a variant of reservoir replica exchange, where Kirkwood sampling is used to construct a reservoir of conformations, which exchanges conformations with the replicas performing equilibrium sampling corresponding to different thermodynamic states. Coupling with the Kirkwood reservoir enhances sampling by facilitating global jumps in the conformational space. The efficiency of both methods depends on the overlap of the Kirkwood distribution with the target equilibrium distribution. We present proof-of-concept results for a model nine-atom linear molecule and alanine dipeptide.

  1. Rapid determination of actinides in seawater samples

    DOE PAGESBeta

    Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B.; Utsey, Robin C.; McAlister, Daniel R.

    2014-03-09

    A new rapid method for the determination of actinides in seawater samples has been developed at the Savannah River National Laboratory. The actinides can be measured by alpha spectrometry or inductively-coupled plasma mass spectrometry. The new method employs novel pre-concentration steps to collect the actinide isotopes quickly from 80 L or more of seawater. Actinides are co-precipitated using an iron hydroxide co-precipitation step enhanced with Ti+3 reductant, followed by lanthanum fluoride co-precipitation. Stacked TEVA Resin and TRU Resin cartridges are used to rapidly separate Pu, U, and Np isotopes from seawater samples. TEVA Resin and DGA Resin were used tomore » separate and measure Pu, Am and Cm isotopes in seawater volumes up to 80 L. This robust method is ideal for emergency seawater samples following a radiological incident. It can also be used, however, for the routine analysis of seawater samples for oceanographic studies to enhance efficiency and productivity. In contrast, many current methods to determine actinides in seawater can take 1–2 weeks and provide chemical yields of ~30–60 %. This new sample preparation method can be performed in 4–8 h with tracer yields of ~85–95 %. By employing a rapid, robust sample preparation method with high chemical yields, less seawater is needed to achieve lower or comparable detection limits for actinide isotopes with less time and effort.« less

  2. Spectral topography of histopathological samples

    NASA Astrophysics Data System (ADS)

    Lerner, Jeremy M.; Lu, Thomas T.; Vari, Sandor G.

    1998-06-01

    The goal of imaging spectroscopy is to obtain independent spectra from individual objects in a field-of-view. In the case of biological materials, such as histopathology samples, it has been well established that spectral characteristic can be indicative of specific diseases including cancer. Diagnosis can be enhanced by the use of probes and stains to indicate the presence of individual genome or other biologically active cell components or substances. To assess a specimen through a microscope is directly analogous to serving the Earth from space to assess natural features. This paper describes a simple and inexpensive imaging spectrometer, with an origin in remote sensing, that demonstrates that it is possible to rapidly identify evidence of disease in histopathology samples using spatially resolved spectral data. The PARISS imaging spectrometer enables a researcher to acquire multi-spectral images that yield functional maps, showing what and where biological molecules are located within a structure. It is the powerful combination of imaging and spectroscopy that provides the tools not readily available to the Life Sciences. The PARISS system incorporates a powerful hybrid neural network analysis to break the data logjam that is often associated with the acquisition and processing of multiple spectra.

  3. Fluid sampling system

    DOEpatents

    Houck, Edward D.

    1994-01-01

    An fluid sampling system allows sampling of radioactive liquid without spillage. A feed tank is connected to a liquid transfer jet powered by a pumping chamber pressurized by compressed air. The liquid is pumped upwardly into a sampling jet of a venturi design having a lumen with an inlet, an outlet, a constricted middle portion, and a port located above the constricted middle portion. The liquid is passed under pressure through the constricted portion causing its velocity to increase and its pressure to decreased, thereby preventing liquid from escaping. A septum sealing the port can be pierced by a two pointed hollow needle leading into a sample bottle also sealed by a pierceable septum affixed to one end. The bottle is evacuated by flow through the sample jet, cyclic variation in the sampler jet pressure periodically leaves the evacuated bottle with lower pressure than that of the port, thus causing solution to pass into the bottle. The remaining solution in the system is returned to the feed tank via a holding tank.

  4. Fluid sampling system

    DOEpatents

    Houck, E.D.

    1994-10-11

    An fluid sampling system allows sampling of radioactive liquid without spillage. A feed tank is connected to a liquid transfer jet powered by a pumping chamber pressurized by compressed air. The liquid is pumped upwardly into a sampling jet of a venturi design having a lumen with an inlet, an outlet, a constricted middle portion, and a port located above the constricted middle portion. The liquid is passed under pressure through the constricted portion causing its velocity to increase and its pressure to be decreased, thereby preventing liquid from escaping. A septum sealing the port can be pierced by a two pointed hollow needle leading into a sample bottle also sealed by a pierceable septum affixed to one end. The bottle is evacuated by flow through the sample jet, cyclic variation in the sampler jet pressure periodically leaves the evacuated bottle with lower pressure than that of the port, thus causing solution to pass into the bottle. The remaining solution in the system is returned to the feed tank via a holding tank. 4 figs.

  5. Visual Sample Plan

    SciTech Connect

    2007-10-25

    VSP selects the appropriate number and location of environmental samples to ensure that the results of statistical tests performed to provide input to risk decisions have the required confidence and performance. VSP Version 5.0 provides sample-size equations or algorithms needed by specific statistical tests appropriate for specific environmental sampling objectives. It also provides data quality assessment and statistical analysis functions to support evaluation of the data and determine whether the data support decisions regarding sites suspected of contamination. The easy-to-use program is highly visual and graphic. VSP runs on personal computers with Microsoft Windows operating systems (98, NT, 2000, Millennium Edition, CE, and XP) Designed primarily for project managers and users without expertise in statistics, VSP is applicable to two- and three-dimensional populations to be sampled (e.g., rooms and buildings, surface soil, a defined layer of subsurface soil, water bodies, and other similar applications) for studies of environmental quality. VSP is also applicable for designing sampling plans for assessing chem./rad/bio threat and hazard identification within rooms and buildings, and for designing geophysical surveys for UXO identification.

  6. Visual Sample Plan

    2007-10-25

    VSP selects the appropriate number and location of environmental samples to ensure that the results of statistical tests performed to provide input to risk decisions have the required confidence and performance. VSP Version 5.0 provides sample-size equations or algorithms needed by specific statistical tests appropriate for specific environmental sampling objectives. It also provides data quality assessment and statistical analysis functions to support evaluation of the data and determine whether the data support decisions regarding sitesmore » suspected of contamination. The easy-to-use program is highly visual and graphic. VSP runs on personal computers with Microsoft Windows operating systems (98, NT, 2000, Millennium Edition, CE, and XP) Designed primarily for project managers and users without expertise in statistics, VSP is applicable to two- and three-dimensional populations to be sampled (e.g., rooms and buildings, surface soil, a defined layer of subsurface soil, water bodies, and other similar applications) for studies of environmental quality. VSP is also applicable for designing sampling plans for assessing chem./rad/bio threat and hazard identification within rooms and buildings, and for designing geophysical surveys for UXO identification.« less

  7. Fluid sampling system

    SciTech Connect

    Houck, E.D.

    1993-12-31

    This invention comprises a fluid sampling system which allows sampling of radioactive liquid without spillage. A feed tank is connected to a liquid transfer jet powered by a pumping chamber pressurized by compressed air. The liquid is pumped up into a sampling jet of venturi design having a lumen with an inlet, an outlet, a constricted middle portion, and a port located above the constricted middle portion. The liquid is passed under pressure through the constricted portion causing its velocity to increase and its pressure to decrease, thereby preventing liquid from escaping. A septum sealing the port can be pierced by a two pointed hollow needle leading into a sample bottle also sealed by a pierceable septum affixed to one end. The bottle is evacuated by flow through the sample jet, cyclic variation in the sampler jet pressure periodicially leaves the evacuated bottle with lower pressure than that of the port, thus causing solution to pass into the bottle. The remaining solution in the system is returned to the feed tank via a holding tank.

  8. Core sample extractor

    NASA Technical Reports Server (NTRS)

    Akins, James; Cobb, Billy; Hart, Steve; Leaptrotte, Jeff; Milhollin, James; Pernik, Mark

    1989-01-01

    The problem of retrieving and storing core samples from a hole drilled on the lunar surface is addressed. The total depth of the hole in question is 50 meters with a maximum diameter of 100 millimeters. The core sample itself has a diameter of 60 millimeters and will be two meters in length. It is therefore necessary to retrieve and store 25 core samples per hole. The design utilizes a control system that will stop the mechanism at a certain depth, a cam-linkage system that will fracture the core, and a storage system that will save and catalogue the cores to be extracted. The Rod Changer and Storage Design Group will provide the necessary tooling to get into the hole as well as to the core. The mechanical design for the cam-linkage system as well as the conceptual design of the storage device are described.

  9. Experimental scattershot boson sampling

    PubMed Central

    Bentivegna, Marco; Spagnolo, Nicolò; Vitelli, Chiara; Flamini, Fulvio; Viggianiello, Niko; Latmiral, Ludovico; Mataloni, Paolo; Brod, Daniel J.; Galvão, Ernesto F.; Crespi, Andrea; Ramponi, Roberta; Osellame, Roberto; Sciarrino, Fabio

    2015-01-01

    Boson sampling is a computational task strongly believed to be hard for classical computers, but efficiently solvable by orchestrated bosonic interference in a specialized quantum computer. Current experimental schemes, however, are still insufficient for a convincing demonstration of the advantage of quantum over classical computation. A new variation of this task, scattershot boson sampling, leads to an exponential increase in speed of the quantum device, using a larger number of photon sources based on parametric down-conversion. This is achieved by having multiple heralded single photons being sent, shot by shot, into different random input ports of the interferometer. We report the first scattershot boson sampling experiments, where six different photon-pair sources are coupled to integrated photonic circuits. We use recently proposed statistical tools to analyze our experimental data, providing strong evidence that our photonic quantum simulator works as expected. This approach represents an important leap toward a convincing experimental demonstration of the quantum computational supremacy. PMID:26601164

  10. Experimental scattershot boson sampling.

    PubMed

    Bentivegna, Marco; Spagnolo, Nicolò; Vitelli, Chiara; Flamini, Fulvio; Viggianiello, Niko; Latmiral, Ludovico; Mataloni, Paolo; Brod, Daniel J; Galvão, Ernesto F; Crespi, Andrea; Ramponi, Roberta; Osellame, Roberto; Sciarrino, Fabio

    2015-04-01

    Boson sampling is a computational task strongly believed to be hard for classical computers, but efficiently solvable by orchestrated bosonic interference in a specialized quantum computer. Current experimental schemes, however, are still insufficient for a convincing demonstration of the advantage of quantum over classical computation. A new variation of this task, scattershot boson sampling, leads to an exponential increase in speed of the quantum device, using a larger number of photon sources based on parametric down-conversion. This is achieved by having multiple heralded single photons being sent, shot by shot, into different random input ports of the interferometer. We report the first scattershot boson sampling experiments, where six different photon-pair sources are coupled to integrated photonic circuits. We use recently proposed statistical tools to analyze our experimental data, providing strong evidence that our photonic quantum simulator works as expected. This approach represents an important leap toward a convincing experimental demonstration of the quantum computational supremacy.

  11. Viscous sludge sample collector

    DOEpatents

    Beitel, George A [Richland, WA

    1983-01-01

    A vertical core sample collection system for viscous sludge. A sample tube's upper end has a flange and is attached to a piston. The tube and piston are located in the upper end of a bore in a housing. The bore's lower end leads outside the housing and has an inwardly extending rim. Compressed gas, from a storage cylinder, is quickly introduced into the bore's upper end to rapidly accelerate the piston and tube down the bore. The lower end of the tube has a high sludge entering velocity to obtain a full-length sludge sample without disturbing strata detail. The tube's downward motion is stopped when its upper end flange impacts against the bore's lower end inwardly extending rim.

  12. Thermoluminescence of lunar samples

    USGS Publications Warehouse

    Dalrymple, G.B.; Doell, Richard R.

    1970-01-01

    Appreciable natural thermoluminescence with glow curve peaks at about 350 degrees centigrade for lunar fines and breccias and above 400 degrees centigrade for crystalline rocks has been recognized in lunar samples. Plagioclase has been identified as the principal carrier of thermoluminescence, and the difference in peak temperatures indicates compositional or structural differences between the feldspars of the different rock types. The present thermoluminescence in the lunar samples is probably the result of a dynamic equilibrium between acquisition from radiation and loss in the lunar thermal environment. A progressive change in the glow curves of core samples with depth below the surface suggests the use of thermoluminescence disequilibrium to detect surfaces buried by recent surface activity, and it also indicates that the lunar diurnal temperature variation penetrates to at least 10.5 centimeters.

  13. Sampling in landscape genomics.

    PubMed

    Manel, Stéphanie; Albert, Cécile H; Yoccoz, Nigel G

    2012-01-01

    Landscape genomics, based on the sampling of individuals genotyped for a large number of markers, may lead to the identification of regions of the genome correlated to selection pressures caused by the environment. In this chapter, we discuss sampling strategies to be used in a landscape genomics approach. We suggest that designs based on model-based stratification using the climatic and/or biological spaces are in general more efficient than designs based on the geographic space. More work is needed to identify designs that allow disentangling environmental selection pressures versus other processes such as range expansions or hierarchical population structure.

  14. Returning Samples from Enceladus

    NASA Astrophysics Data System (ADS)

    Tsou, P.; Kanik, I.; Brownlee, D.; McKay, C.; Anbar, A.; Glavin, D.; Yano, H.

    2012-12-01

    From the first half century of space exploration, we have obtained samples only from the Moon, comet Wild 2, the Solar Wind and the asteroid Itokawa. The in-depth analyses of these samples in terrestrial laboratories have yielded profound knowledge that could not have been obtained without the returned samples. While obtaining samples from Solar System bodies is crucial science, it is rarely done due to cost and complexity. Cassini's discovery of geysers on Enceladus and organic materials, indicate that there is an exceptional opportunity and science rational to do a low-cost flyby sample return mission, similar to what was done by the Stardust. The earliest low cost possible flight opportunity is the next Discovery Mission [Tsou et al 2012]. Enceladus Plume Discovery - While Voyager provided evidence for young surfaces on Enceladus, the existence of Enceladus plumes was discovered by Cassini. Enceladus and comets are the only known solar system bodies that have jets enabling sample collection without landing or surface contact. Cassini in situ Findings -Cassini's made many discoveries at Saturn, including the break up of large organics in the plumes of Enceladus. Four prime criteria for habitability are liquid water, a heat source, organics and nitrogen [McKay et al. 2008, Waite et al. 2009, Postberg et al. 2011]. Out of all the NASA designated habitability targets, Enceladus is the single body that presents evidence for all four criteria. Significant advancement in the exploration of the biological potential of Enceladus can be made on returned samples in terrestrial laboratories where the full power of state-of-the-art laboratory instrumentation and procedures can be used. Without serious limits on power, mass or even cost, terrestrial laboratories provide the ultimate in analytical capability, adaptability, reproducibility and reliability. What Questions can Samples Address? - Samples collected from the Enceladus plume will enable a thorough and replicated

  15. Can stock enhancement enhance stocks?

    NASA Astrophysics Data System (ADS)

    Støttrup, J. G.; Sparrevohn, C. R.

    2007-02-01

    Successful stock enhancement or restocking requires a thorough understanding of the ecological processes that provide a potential for stocking within different ecosystems, i.e. determine which factors define the potential for stocking, such as population dynamics, economic cost-benefits, fisheries management and socio-economic impacts. Stocking is not simply a question of aquaculture logistics (i.e. the ability to produce a sufficient number of fry relative to the magnitude of the natural recruitment within the system), nor should it be a new outlet for aquaculture production. Quantitative targets should be set and the expected performance of the stocking tested. Potential loopholes, such as post-release mortality and habitat requirements related to the release, should be examined and resolved. If properly managed, stocking may lead to an increase in population, contribute to the local fishery and/or lead to an increase in the spawning stock biomass. The criteria for stocking are discussed in this paper using examples from flatfish and cod stocking programmes within specific ecosystems.

  16. Lunar sample analysis

    NASA Technical Reports Server (NTRS)

    Housley, R. M.

    1978-01-01

    Flameless atomic abosrption, X-ray photoemission spectroscopy, ferromagnetic resonance, scanning electron microscopy, and Moessbauer spectroscopy were used to investigate the evolution of the lunar regolith, the transport of volatile trace metals, and the surface composition of lunar samples. The development of a model for lunar volcanic eruptions is also discussed.

  17. Groundwater sampling: Chapter 5

    USGS Publications Warehouse

    Wang, Qingren; Munoz-Carpena, Rafael; Foster, Adam; Migliaccio, Kati W.; Li, Yuncong; Migliaccio, Kati

    2011-01-01

    Discussing an array of water quality topics, from water quality regulations and criteria, to project planning and sampling activities, this book outlines a framework for improving water quality programs. Using this framework, you can easily put the proper training and tools in place for better management of water resources.

  18. Robotic nuclear sample management

    SciTech Connect

    Hollen, R.M.; Beugelsdijk, T.J.; Temer, D.J.; Hopkins, V.A.

    1987-01-01

    The Analytical Chemistry Group of the Los Alamos National Laboratory processes in excess of 4000 plutonium metal samples each year. Depending on what specific elements are to be determined, each sample must be cut into fractions for distribution to the various task areas for specific analyses in areas such as mass spectrometry. A unique laboratory automation system has been developed based on a commercially available Zymate II robot. The robot consists of a central arm that operates in a hollow cylindrical work envelop and has four degrees of freedom. Accessible to the arm are standard Zymark laboratory stations, which include an analytical balance, a reagent dispensing station, a capping station, and vial racks. Custom stations designed and constructed by an in-house robotics group for corrosive environments include a vial capping station, a pipette tip shucker, and a vial dispenser. Initial reliability testing is currently in progress. Copper metal samples are being used in lieu of plutonium to identify areas in which mechanical adjustments are needed or in which the software needs modification. The system is projected to be commissioned during January 1988. Future plane include the addition of capabilities to accommodate plutonium oxide samples.

  19. [Samples in Coagulation Test].

    PubMed

    Komiyama, Yutaka

    2015-12-01

    An understanding and ability to develop a strategy to prevent pre-analytical errors of laboratory tests in the hemostasis area are two of the most important skills of medical technologists and related doctors. Recently, the working group for standardization of sampling in coagulation tests is working towards a consensus. This article reviews a summary of the consensus: (1) The anticoagulant for coagulation tests is 3.13-3.2% sodium citrate at a ratio of 1:9 to whole blood and the accuracy of the ratio is within 10%. (2) Blood sampling is achieved with the use of a 21-23G needle and coagulation. Blood sampling can be achieved by both a syringe and vacuum tube system. After taking blood, laboratory tests such as of the prothrombin time (PT) and activated partial thromboplastin time (APTT) should be completed within one hour and the storage temperature should be at room temperature, not ice-cold conditions. 3) To prepare a plasma sample, citrated blood is centrifuged at 1,500 x g for 15 min at room temperature to minimize the remaining platelets in plasma (below 10,000/microL at least).

  20. Adaptive Sampling Designs.

    ERIC Educational Resources Information Center

    Flournoy, Nancy

    Designs for sequential sampling procedures that adapt to cumulative information are discussed. A familiar illustration is the play-the-winner rule in which there are two treatments; after a random start, the same treatment is continued as long as each successive subject registers a success. When a failure occurs, the other treatment is used until…

  1. Sampling for Chemical Analysis.

    ERIC Educational Resources Information Center

    Kratochvil, Byron; And Others

    1984-01-01

    This review, designed to make analysts aware of uncertainties introduced into analytical measurements during sampling, is organized under these headings: general considerations; theory; standards; and applications related to mineralogy, soils, sediments, metallurgy, atmosphere, water, biology, agriculture and food, medical and clinical areas, oil…

  2. Randomization and sampling issues

    USGS Publications Warehouse

    Geissler, P.H.

    1996-01-01

    The need for randomly selected routes and other sampling issues have been debated by the Amphibian electronic discussion group. Many excellent comments have been made, pro and con, but we have not reached consensus yet. This paper brings those comments together and attempts a synthesis. I hope that the resulting discussion will bring us closer to a consensus.

  3. Drafting Work Sample.

    ERIC Educational Resources Information Center

    Shawsheen Valley Regional Vocational-Technical High School, Billerica, MA.

    This manual contains a work sample intended to assess a handicapped student's interest in and to screen interested students into a training program in basic mechanical drawing. (The course is based on the entry level of an assistant drafter.) Section 1 describes the assessment, correlates the work performed and worker traits required for…

  4. Using Language Sample Databases

    ERIC Educational Resources Information Center

    Heilmann, John J.; Miller, Jon F.; Nockerts, Ann

    2010-01-01

    Purpose: Over the past 50 years, language sample analysis (LSA) has evolved from a powerful research tool that is used to document children's linguistic development into a powerful clinical tool that is used to identify and describe the language skills of children with language impairment. The Systematic Analysis of Language Transcripts (SALT; J.…

  5. Minimum variance geographic sampling

    NASA Technical Reports Server (NTRS)

    Terrell, G. R. (Principal Investigator)

    1980-01-01

    Resource inventories require samples with geographical scatter, sometimes not as widely spaced as would be hoped. A simple model of correlation over distances is used to create a minimum variance unbiased estimate population means. The fitting procedure is illustrated from data used to estimate Missouri corn acreage.

  6. ANNULAR IMPACTOR SAMPLING DEVICE

    DOEpatents

    Tait, G.W.C.

    1959-03-31

    A high-rate air sampler capable of sampling alphaemitting particles as small as 0.5 microns is described. The device is a cylindrical shaped cup that fits in front of a suction tube and which has sticky grease coating along its base. Suction forces contaminated air against the periodically monitored particle absorbing grease.

  7. Alpha spectrometry applications with mass separated samples.

    PubMed

    Dion, M P; Eiden, Gregory C; Farmer, Orville T; Liezers, Martin; Robinson, John W

    2016-01-01

    (241)Am has been deposited using a novel technique that employs a commercial inductively coupled plasma mass spectrometer. This work presents results of high-resolution alpha spectrometry on the (241)Am samples using a small area passivated implanted planar silicon detector. We have also investigated the mass-based separation capability by developing a (238)Pu sample, present as a minor constituent in a (244)Pu standard, and performed subsequent radiometric counting. With this new sample development method, the (241)Am samples achieved the intrinsic energy resolution of the detector used for these measurements. There was no detectable trace of any other isotopes contained in the (238)Pu implant demonstrating the mass-based separation (or enhancement) attainable with this technique. PMID:26583262

  8. Nanoparticle Based Surface-Enhanced Raman Spectroscopy

    SciTech Connect

    Talley, C E; Huser, T R; Hollars, C W; Jusinski, L; Laurence, T; Lane, S M

    2005-01-03

    Surface-enhanced Raman scattering is a powerful tool for the investigation of biological samples. Following a brief introduction to Raman and surface-enhanced Raman scattering, several examples of biophotonic applications of SERS are discussed. The concept of nanoparticle based sensors using SERS is introduced and the development of these sensors is discussed.

  9. Comparative sampling molds evaluation

    SciTech Connect

    Pierrard, L.; Jarry, P.; Charbonnier, J.; Rigaut, C.

    1996-10-01

    The metallurgical industry needs to cast alloys with narrow tolerances in their chemical composition in order to reduce variability of their use properties. Therefore appropriate sampling practices and analytical methods are required. Both accuracy and precision of the analytical results are limited by the non-homogeneity of as-cast disk or cylinder samples, which results from macrosegregation phenomenon. This paper presents a comparison between six commonly used molds: four molds recommended by ASTM standards (center-pour molds type B and vacuum mold), mushroom shaped and cylinder molds. Two complementary approaches are exhibited for the different molds designs: (1) solidification modeling in order to predict macrosegregation localization using the Simulor software; (2) experimental characterization. Radial and axial segregation profiles are determined by Analytical Scanning Electron Microscopy in addition to analytical precision evaluation by spark optical emission and X-Ray fluorescence spectrometries for a given machining depth.

  10. Seabed observation & sampling system

    USGS Publications Warehouse

    Blackwood, D.; Parolski, K.

    2001-01-01

    SEABOSS has proved to be a valuable addition to the USGS data-acquisition and processing field program. It has allowed researchers to collect high-quality images and seabed samples in a timely manner. It is a simple, dependable and trouble-free system with a track record of over 3,000 deployments. When used as part of the USGS seafloor mapping acquisition, processing, and ground-truth program, SEABOSS has been invaluable in providing information quickly and efficiently, with a minimum of downtime. SEABOSS enables scientists to collect high-quality images and samples of the seabed, essential to the study of sedimentary environments and biological habitats and to the interpretation of side-scan sonar and multibeam imagery, the most common tools for mapping the seabed.

  11. Nonadiabatic transition path sampling

    NASA Astrophysics Data System (ADS)

    Sherman, M. C.; Corcelli, S. A.

    2016-07-01

    Fewest-switches surface hopping (FSSH) is combined with transition path sampling (TPS) to produce a new method called nonadiabatic path sampling (NAPS). The NAPS method is validated on a model electron transfer system coupled to a Langevin bath. Numerically exact rate constants are computed using the reactive flux (RF) method over a broad range of solvent frictions that span from the energy diffusion (low friction) regime to the spatial diffusion (high friction) regime. The NAPS method is shown to quantitatively reproduce the RF benchmark rate constants over the full range of solvent friction. Integrating FSSH within the TPS framework expands the applicability of both approaches and creates a new method that will be helpful in determining detailed mechanisms for nonadiabatic reactions in the condensed-phase.

  12. Water sample filtration unit

    USGS Publications Warehouse

    Skougstad, M.W.; Scarbro, G.F.

    1968-01-01

    A readily portable, all plastic, pressure filtration unit is described which greatly facilitates rapid micropore membrane field filtration of up to several liters of water with a minimum risk of inorganic chemical alteration or contamination of the sample. The unit accommodates standard 10.2-cm. (4-inch) diameter filters. The storage and carrying case serves as a convenient filter stand for both field and laboratory use.

  13. Advanced hierarchical distance sampling

    USGS Publications Warehouse

    Royle, Andy

    2016-01-01

    In this chapter, we cover a number of important extensions of the basic hierarchical distance-sampling (HDS) framework from Chapter 8. First, we discuss the inclusion of “individual covariates,” such as group size, in the HDS model. This is important in many surveys where animals form natural groups that are the primary observation unit, with the size of the group expected to have some influence on detectability. We also discuss HDS integrated with time-removal and double-observer or capture-recapture sampling. These “combined protocols” can be formulated as HDS models with individual covariates, and thus they have a commonality with HDS models involving group structure (group size being just another individual covariate). We cover several varieties of open-population HDS models that accommodate population dynamics. On one end of the spectrum, we cover models that allow replicate distance sampling surveys within a year, which estimate abundance relative to availability and temporary emigration through time. We consider a robust design version of that model. We then consider models with explicit dynamics based on the Dail and Madsen (2011) model and the work of Sollmann et al. (2015). The final major theme of this chapter is relatively newly developed spatial distance sampling models that accommodate explicit models describing the spatial distribution of individuals known as Point Process models. We provide novel formulations of spatial DS and HDS models in this chapter, including implementations of those models in the unmarked package using a hack of the pcount function for N-mixture models.

  14. Digital Microfluidics Sample Analyzer

    NASA Technical Reports Server (NTRS)

    Pollack, Michael G.; Srinivasan, Vijay; Eckhardt, Allen; Paik, Philip Y.; Sudarsan, Arjun; Shenderov, Alex; Hua, Zhishan; Pamula, Vamsee K.

    2010-01-01

    Three innovations address the needs of the medical world with regard to microfluidic manipulation and testing of physiological samples in ways that can benefit point-of-care needs for patients such as premature infants, for which drawing of blood for continuous tests can be life-threatening in their own right, and for expedited results. A chip with sample injection elements, reservoirs (and waste), droplet formation structures, fluidic pathways, mixing areas, and optical detection sites, was fabricated to test the various components of the microfluidic platform, both individually and in integrated fashion. The droplet control system permits a user to control droplet microactuator system functions, such as droplet operations and detector operations. Also, the programming system allows a user to develop software routines for controlling droplet microactuator system functions, such as droplet operations and detector operations. A chip is incorporated into the system with a controller, a detector, input and output devices, and software. A novel filler fluid formulation is used for the transport of droplets with high protein concentrations. Novel assemblies for detection of photons from an on-chip droplet are present, as well as novel systems for conducting various assays, such as immunoassays and PCR (polymerase chain reaction). The lab-on-a-chip (a.k.a., lab-on-a-printed-circuit board) processes physiological samples and comprises a system for automated, multi-analyte measurements using sub-microliter samples of human serum. The invention also relates to a diagnostic chip and system including the chip that performs many of the routine operations of a central labbased chemistry analyzer, integrating, for example, colorimetric assays (e.g., for proteins), chemiluminescence/fluorescence assays (e.g., for enzymes, electrolytes, and gases), and/or conductometric assays (e.g., for hematocrit on plasma and whole blood) on a single chip platform.

  15. Sustainable Mars Sample Return

    NASA Technical Reports Server (NTRS)

    Alston, Christie; Hancock, Sean; Laub, Joshua; Perry, Christopher; Ash, Robert

    2011-01-01

    The proposed Mars sample return mission will be completed using natural Martian resources for the majority of its operations. The system uses the following technologies: In-Situ Propellant Production (ISPP), a methane-oxygen propelled Mars Ascent Vehicle (MAV), a carbon dioxide powered hopper, and a hydrogen fueled balloon system (large balloons and small weather balloons). The ISPP system will produce the hydrogen, methane, and oxygen using a Sabatier reactor. a water electrolysis cell, water extracted from the Martian surface, and carbon dioxide extracted from the Martian atmosphere. Indigenous hydrogen will fuel the balloon systems and locally-derived methane and oxygen will fuel the MAV for the return of a 50 kg sample to Earth. The ISPP system will have a production cycle of 800 days and the estimated overall mission length is 1355 days from Earth departure to return to low Earth orbit. Combining these advanced technologies will enable the proposed sample return mission to be executed with reduced initial launch mass and thus be more cost efficient. The successful completion of this mission will serve as the next step in the advancement of Mars exploration technology.

  16. Signal enhancement using a switchable magnetic trap

    DOEpatents

    Beer, Neil Reginald

    2012-05-29

    A system for analyzing a sample including providing a microchannel flow channel; associating the sample with magnetic nanoparticles or magnetic polystyrene-coated beads; moving the sample with said magnetic nanoparticles or magnetic polystyrene-coated beads in the microchannel flow channel; holding the sample with the magnetic nanoparticles or magnetic polystyrene-coated beads in a magnetic trap in the microchannel flow channel; and analyzing the sample obtaining an enhanced analysis signal. An apparatus for analysis of a sample includes magnetic particles connected to the sample, a microchip, a flow channel in the microchip, a source of carrier fluid connected to the flow channel for moving the sample in the flow channel, an electromagnet trap connected to the flow line for selectively magnetically trapping the sample and the magnetic particles, and an analyzer for analyzing the sample.

  17. Resolution enhancement in tilted coordinates

    NASA Astrophysics Data System (ADS)

    Hariri Naghadeh, Diako; Keith Morley, Christopher

    2016-11-01

    Deconvolution is applied to remove source wavelet effects from seismograms. The results are resolution enhancement that enables detection of thin layers. Following enhancement of resolution, low frequency and high angle reflectors, particularly at great depth, appear as low amplitude and semi-invisible reflectors that are difficult to track and pick. A new approach to enhance resolution is introduced that estimates a derivative using continuous wavelet transform in tilted coordinates. The results are compared with sparse spike deconvolution, curvelet deconvolution and inverse quality filtering in wavelet domain. The positive consequence of the new method is to increase sampling of high dip features by changing the coordinate system from Cartesian to tilted. To compare those methods a complex data set was chosen that includes high angle faults and chaotic mass transport complex. Image enhancement using curvelet deconvolution shows a chaotic system as a non-chaotic one. The results show that sparse spike deconvolution and inverse quality filtering in wavelet domain are able to enhance resolution more than curvelet deconvolution especially at great depth but it is impossible to follow steep dip reflectors after resolution enhancement using these methods, especially when their apparent dips are more than 45°. By estimating derivatives in a continuous wavelet transform from tilted data sets similar resolution enhancement as the other deconvolution methods is achieved but additionally steep dipping reflectors are imaged much better than others. Subtracted results of the enhanced resolution data set using new method and the other introduced methods show that steeply dipping reflectors are highlighted as a particular ability of the new method. The results show that high frequency recovery in Cartesian co-ordinate is accompanied by inability to image steeply dipping reflectors especially at great depths. Conversely recovery of high frequency data and imaging of the data

  18. PCC2005 Sample

    SciTech Connect

    authors

    2005-09-01

    Considered herein is a process concept that integrates fly ash amendment of brine produced as a result of oil and gas extraction with subsequent sequestration of carbon dioxide in the resulting alkaline solution. The CO2 solubility-trapping capacity of the alkaline mixture is substantially greater than that of the acidic raw brine. In addition to pH adjustment, addition of CaO-rich combustion byproduct augments the concentration of Ca++ cations initially present in the brine to increase solution capacity for mineral trapping of CO2. One- and two-stage approaches for implementation of this treatment process were considered. Batch reactions were conducted with several Class C fly ashes and one flue gas desulfurization (FGD) byproduct. Preliminary results verify the potential to substantially enhance CO2 sequestration capacity and increase mineral sequestration of absorbed CO2, primarily as CaCO3. Feasibility of the described CO2 sequestration treatment concept was, therefore, successfully demonstrated.

  19. 340 representative sampling verification tank sampling and analysis plan

    SciTech Connect

    Halgren, D.L., Westinghouse Hanford

    1996-09-09

    This Sampling and Analysis Plan contains requirements for characterizing the 340 vault tank 1. The objective of the sampling and characterization is to determine if the tank is homogeneous when agitated and which sampling method provides the most representative sample. A secondary objective is to collect and characterize solid samples.

  20. 340 Representative sampling verification tank sampling and analysis plan

    SciTech Connect

    Olander, A.R., Westinghouse Hanford

    1996-08-07

    This Sampling and Analysis Plan contains requirements for characterizing the 340 vault tank 1. The objective of the sampling and characterization is to determine if the tank is homogeneous when agitated and which sampling method provides the most representative sample. A secondary objective is to collect and characterize solid samples.

  1. 340 Representative sampling verification tank sampling and analysis plan

    SciTech Connect

    Olander, A.R., Westinghouse Hanford

    1996-08-21

    This Sampling and Analysis Plan contains requirements for characterizing the 340 vault tank 1. The objective of the sampling and characterization is to determine if the tank is homogeneous when agitated and which sampling method provides the most representative sample. A secondary objective is to collect and characterize solid samples.

  2. 40 CFR 1065.1107 - Sample media and sample system preparation; sample system assembly.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 33 2014-07-01 2014-07-01 false Sample media and sample system... Special Pollutants Semi-Volatile Organic Compounds § 1065.1107 Sample media and sample system preparation; sample system assembly. This section describes the appropriate types of sample media and the...

  3. NID Copper Sample Analysis

    SciTech Connect

    Kouzes, Richard T.; Zhu, Zihua

    2011-09-12

    The current focal point of the nuclear physics program at PNNL is the MAJORANA DEMONSTRATOR, and the follow-on Tonne-Scale experiment, a large array of ultra-low background high-purity germanium detectors, enriched in 76Ge, designed to search for zero-neutrino double-beta decay (0νββ). This experiment requires the use of germanium isotopically enriched in 76Ge. The MAJORANA DEMONSTRATOR is a DOE and NSF funded project with a major science impact. The DEMONSTRATOR will utilize 76Ge from Russia, but for the Tonne-Scale experiment it is hoped that an alternate technology, possibly one under development at Nonlinear Ion Dynamics (NID), will be a viable, US-based, lower-cost source of separated material. Samples of separated material from NID require analysis to determine the isotopic distribution and impurities. DOE is funding NID through an SBIR grant for development of their separation technology for application to the Tonne-Scale experiment. The Environmental Molecular Sciences facility (EMSL), a DOE user facility at PNNL, has the required mass spectroscopy instruments for making isotopic measurements that are essential to the quality assurance for the MAJORANA DEMONSTRATOR and for the development of the future separation technology required for the Tonne-Scale experiment. A sample of isotopically separated copper was provided by NID to PNNL in January 2011 for isotopic analysis as a test of the NID technology. The results of that analysis are reported here. A second sample of isotopically separated copper was provided by NID to PNNL in August 2011 for isotopic analysis as a test of the NID technology. The results of that analysis are also reported here.

  4. Stack sampling apparatus

    DOEpatents

    Lind, Randall F; Lloyd, Peter D; Love, Lonnie J; Noakes, Mark W; Pin, Francois G; Richardson, Bradley S; Rowe, John C

    2014-09-16

    An apparatus for obtaining samples from a structure includes a support member, at least one stabilizing member, and at least one moveable member. The stabilizing member has a first portion coupled to the support member and a second portion configured to engage with the structure to restrict relative movement between the support member and the structure. The stabilizing member is radially expandable from a first configuration where the second portion does not engage with a surface of the structure to a second configuration where the second portion engages with the surface of the structure.

  5. Pulsed field sample neutralization

    DOEpatents

    Appelhans, Anthony D.; Dahl, David A.; Delmore, James E.

    1990-01-01

    An apparatus and method for alternating voltage and for varying the rate of extraction during the extraction of secondary particles, resulting in periods when either positive ions, or negative ions and electrons are extracted at varying rates. Using voltage with alternating charge during successive periods to extract particles from materials which accumulate charge opposite that being extracted causes accumulation of surface charge of opposite sign. Charge accumulation can then be adjusted to a ratio which maintains a balance of positive and negative charge emission, thus maintaining the charge neutrality of the sample.

  6. Phobos Sample Return mission

    NASA Astrophysics Data System (ADS)

    Zelenyi, Lev; Zakharov, A.; Martynov, M.; Polischuk, G.

    Very mysterious objects of the Solar system are the Martian satellites, Phobos and Deimos. Attempt to study Phobos in situ from an orbiter and from landers have been done by the Russian mission FOBOS in 1988. However, due to a malfunction of the onboard control system the landers have not been delivered to the Phobos surface. A new robotics mission to Phobos is under development now in Russia. Its main goal is the delivery of samples of the Phobos surface material to the Earth for laboratory studies of its chemical, isotopic, mineral composition, age etc. Other goals are in situ studies of Phobos (regolith, internal structure, peculiarities in orbital and proper rotation), studies of Martian environment (dust, plasma, fields). The payload includes a number of scientific instruments: gamma and neutron spectrometers, gaschromatograph, mass spectrometers, IR spectrometer, seismometer, panoramic camera, dust sensor, plasma package. To implement the tasks of this mission a cruise-transfer spacecraft after the launch and the Earth-Mars interplanetary flight will be inserted into the first elliptical orbit around Mars, then after several corrections the spacecraft orbit will be formed very close to the Phobos orbit to keep the synchronous orbiting with Phobos. Then the spacecraft will encounter with Phobos and will land at the surface. After the landing the sampling device of the spacecraft will collect several samples of the Phobos regolith and will load these samples into the return capsule mounted at the returned vehicle. This returned vehicle will be launched from the mother spacecraft and after the Mars-Earth interplanetary flight after 11 monthes with reach the terrestrial atmosphere. Before entering into the atmosphere the returned capsule will be separated from the returned vehicle and will hopefully land at the Earth surface. The mother spacecraft at the Phobos surface carrying onboard scientific instruments will implement the "in situ" experiments during an year

  7. Direct Electrospray Ionization Mass Spectrometric Profiling of Real-World Samples via a Solid Sampling Probe

    NASA Astrophysics Data System (ADS)

    Yu, Zhan; Chen, Lee Chuin; Mandal, Mridul Kanti; Yoshimura, Kentaro; Takeda, Sen; Hiraoka, Kenzo

    2013-10-01

    This study presents a novel direct analysis strategy for rapid mass spectrometric profiling of biochemicals in real-world samples via a direct sampling probe (DSP) without sample pretreatments. Chemical modification is applied to a disposable stainless steel acupuncture needle to enhance its surface area and hydrophilicity. After insertion into real-world samples, biofluid can be attached on the DSP surface. With the presence of a high DC voltage and solvent vapor condensing on the tip of the DSP, analyte can be dissolved and electrosprayed. The simplicity in design, versatility in application aspects, and other advantages such as low cost and disposability make this new method a competitive tool for direct analysis of real-world samples.

  8. 46. VIEW OF SAMPLING ROOM FROM SOUTHEAST. TO LEFT, SAMPLING ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    46. VIEW OF SAMPLING ROOM FROM SOUTHEAST. TO LEFT, SAMPLING ELEVATOR AND IN CENTER, SAMPLE BINS WITH DISCHARGE CHUTE AND THREE LABELS. - Bald Mountain Gold Mill, Nevada Gulch at head of False Bottom Creek, Lead, Lawrence County, SD

  9. Bilateral inferior petrosal sinus sampling.

    PubMed

    Zampetti, Benedetta; Grossrubatscher, Erika; Dalino Ciaramella, Paolo; Boccardi, Edoardo; Loli, Paola

    2016-07-01

    Simultaneous bilateral inferior petrosal sinus sampling (BIPSS) plays a crucial role in the diagnostic work-up of Cushing's syndrome. It is the most accurate procedure in the differential diagnosis of hypercortisolism of pituitary or ectopic origin, as compared with clinical, biochemical and imaging analyses, with a sensitivity and specificity of 88-100% and 67-100%, respectively. In the setting of hypercortisolemia, ACTH levels obtained from venous drainage of the pituitary are expected to be higher than the levels of peripheral blood, thus suggesting pituitary ACTH excess as the cause of hypercortisolism. Direct stimulation of the pituitary corticotroph with corticotrophin-releasing hormone enhances the sensitivity of the procedure. The procedure must be undertaken in the presence of hypercortisolemia, which suppresses both the basal and stimulated secretory activity of normal corticotrophic cells: ACTH measured in the sinus is, therefore, the result of the secretory activity of the tumor tissue. The poor accuracy in lateralization of BIPSS (positive predictive value of 50-70%) makes interpetrosal ACTH gradient alone not sufficient for the localization of the tumor. An accurate exploration of the gland is recommended if a tumor is not found in the predicted area. Despite the fact that BIPSS is an invasive procedure, the occurrence of adverse events is extremely rare, particularly if it is performed by experienced operators in referral centres. PMID:27352844

  10. Bilateral inferior petrosal sinus sampling.

    PubMed

    Zampetti, Benedetta; Grossrubatscher, Erika; Dalino Ciaramella, Paolo; Boccardi, Edoardo; Loli, Paola

    2016-07-01

    Simultaneous bilateral inferior petrosal sinus sampling (BIPSS) plays a crucial role in the diagnostic work-up of Cushing's syndrome. It is the most accurate procedure in the differential diagnosis of hypercortisolism of pituitary or ectopic origin, as compared with clinical, biochemical and imaging analyses, with a sensitivity and specificity of 88-100% and 67-100%, respectively. In the setting of hypercortisolemia, ACTH levels obtained from venous drainage of the pituitary are expected to be higher than the levels of peripheral blood, thus suggesting pituitary ACTH excess as the cause of hypercortisolism. Direct stimulation of the pituitary corticotroph with corticotrophin-releasing hormone enhances the sensitivity of the procedure. The procedure must be undertaken in the presence of hypercortisolemia, which suppresses both the basal and stimulated secretory activity of normal corticotrophic cells: ACTH measured in the sinus is, therefore, the result of the secretory activity of the tumor tissue. The poor accuracy in lateralization of BIPSS (positive predictive value of 50-70%) makes interpetrosal ACTH gradient alone not sufficient for the localization of the tumor. An accurate exploration of the gland is recommended if a tumor is not found in the predicted area. Despite the fact that BIPSS is an invasive procedure, the occurrence of adverse events is extremely rare, particularly if it is performed by experienced operators in referral centres.

  11. Bilateral inferior petrosal sinus sampling

    PubMed Central

    Grossrubatscher, Erika; Dalino Ciaramella, Paolo; Boccardi, Edoardo

    2016-01-01

    Simultaneous bilateral inferior petrosal sinus sampling (BIPSS) plays a crucial role in the diagnostic work-up of Cushing’s syndrome. It is the most accurate procedure in the differential diagnosis of hypercortisolism of pituitary or ectopic origin, as compared with clinical, biochemical and imaging analyses, with a sensitivity and specificity of 88–100% and 67–100%, respectively. In the setting of hypercortisolemia, ACTH levels obtained from venous drainage of the pituitary are expected to be higher than the levels of peripheral blood, thus suggesting pituitary ACTH excess as the cause of hypercortisolism. Direct stimulation of the pituitary corticotroph with corticotrophin-releasing hormone enhances the sensitivity of the procedure. The procedure must be undertaken in the presence of hypercortisolemia, which suppresses both the basal and stimulated secretory activity of normal corticotrophic cells: ACTH measured in the sinus is, therefore, the result of the secretory activity of the tumor tissue. The poor accuracy in lateralization of BIPSS (positive predictive value of 50–70%) makes interpetrosal ACTH gradient alone not sufficient for the localization of the tumor. An accurate exploration of the gland is recommended if a tumor is not found in the predicted area. Despite the fact that BIPSS is an invasive procedure, the occurrence of adverse events is extremely rare, particularly if it is performed by experienced operators in referral centres. PMID:27352844

  12. NID Copper Sample Analysis

    SciTech Connect

    Kouzes, Richard T.; Zhu, Zihua

    2011-02-01

    The current focal point of the nuclear physics program at PNNL is the MAJORANA DEMONSTRATOR, and the follow-on Tonne-Scale experiment, a large array of ultra-low background high-purity germanium detectors, enriched in 76Ge, designed to search for zero-neutrino double-beta decay (0νββ). This experiment requires the use of germanium isotopically enriched in 76Ge. The DEMONSTRATOR will utilize 76Ge from Russia, but for the Tonne-Scale experiment it is hoped that an alternate technology under development at Nonlinear Ion Dynamics (NID) will be a viable, US-based, lower-cost source of separated material. Samples of separated material from NID require analysis to determine the isotopic distribution and impurities. The MAJORANA DEMONSTRATOR is a DOE and NSF funded project with a major science impact. DOE is funding NID through an SBIR grant for development of their separation technology for application to the Tonne-Scale experiment. The Environmental Molecular Sciences facility (EMSL), a DOE user facility at PNNL, has the required mass spectroscopy instruments for making these isotopic measurements that are essential to the quality assurance for the MAJORANA DEMONSTRATOR and for the development of the future separation technology required for the Tonne-Scale experiment. A sample of isotopically separated copper was provided by NID to PNNL for isotopic analysis as a test of the NID technology. The results of that analysis are reported here.

  13. Fluid sampling tool

    DOEpatents

    Garcia, Anthony R.; Johnston, Roger G.; Martinez, Ronald K.

    1999-05-25

    A fluid sampling tool for sampling fluid from a container. The tool has a fluid collecting portion which is drilled into the container wall, thereby affixing it to the wall. The tool may have a fluid extracting section which withdraws fluid collected by the fluid collecting section. The fluid collecting section has a fluted shank with an end configured to drill a hole into a container wall. The shank has a threaded portion for tapping the borehole. The shank is threadably engaged to a cylindrical housing having an inner axial passageway sealed at one end by a septum. A flexible member having a cylindrical portion and a bulbous portion is provided. The housing can be slid into an inner axial passageway in the cylindrical portion and sealed to the flexible member. The bulbous portion has an outer lip defining an opening. The housing is clamped into the chuck of a drill, the lip of the bulbous section is pressed against a container wall until the shank touches the wall, and the user operates the drill. Wall shavings (kerf) are confined in a chamber formed in the bulbous section as it folds when the shank advances inside the container. After sufficient advancement of the shank, an o-ring makes a seal with the container wall.

  14. Fluid sampling tool

    DOEpatents

    Garcia, A.R.; Johnston, R.G.; Martinez, R.K.

    1999-05-25

    A fluid sampling tool is described for sampling fluid from a container. The tool has a fluid collecting portion which is drilled into the container wall, thereby affixing it to the wall. The tool may have a fluid extracting section which withdraws fluid collected by the fluid collecting section. The fluid collecting section has a fluted shank with an end configured to drill a hole into a container wall. The shank has a threaded portion for tapping the borehole. The shank is threadably engaged to a cylindrical housing having an inner axial passageway sealed at one end by a septum. A flexible member having a cylindrical portion and a bulbous portion is provided. The housing can be slid into an inner axial passageway in the cylindrical portion and sealed to the flexible member. The bulbous portion has an outer lip defining an opening. The housing is clamped into the chuck of a drill, the lip of the bulbous section is pressed against a container wall until the shank touches the wall, and the user operates the drill. Wall shavings (kerf) are confined in a chamber formed in the bulbous section as it folds when the shank advances inside the container. After sufficient advancement of the shank, an o-ring makes a seal with the container wall. 6 figs.

  15. GROUND WATER SAMPLING FOR VOCS

    EPA Science Inventory

    Sampling protocol should be dictated by the sampling objective(s). It is important to obtain representative ground water samples, regardless of the sampling objective(s). Low-flow (minimum draw-down) purging and sampling techniques are best in most instances, particularly for VOC...

  16. Fluid sampling tool

    DOEpatents

    Johnston, Roger G.; Garcia, Anthony R. E.; Martinez, Ronald K.

    2001-09-25

    The invention includes a rotatable tool for collecting fluid through the wall of a container. The tool includes a fluid collection section with a cylindrical shank having an end portion for drilling a hole in the container wall when the tool is rotated, and a threaded portion for tapping the hole in the container wall. A passageway in the shank in communication with at least one radial inlet hole in the drilling end and an opening at the end of the shank is adapted to receive fluid from the container. The tool also includes a cylindrical chamber affixed to the end of the shank opposite to the drilling portion thereof for receiving and storing fluid passing through the passageway. The tool also includes a flexible, deformable gasket that provides a fluid-tight chamber to confine kerf generated during the drilling and tapping of the hole. The invention also includes a fluid extractor section for extracting fluid samples from the fluid collecting section.

  17. Global atmospheric sampling program

    NASA Technical Reports Server (NTRS)

    Lezberg, E. A.; Perkins, P. J.; Englund, D. R.; Gauntner, D. J.; Holdeman, J. D.

    1977-01-01

    Automated instruments were installed on a commercial B-747 aircraft, during the program, to obtain baseline data and to monitor key atmospheric constituents associated with emissions of aircraft engines in order to determine if aircraft are contributing to pollution of the upper atmosphere. Data thus acquired on a global basis over the commercial air routes for 5 to 10 years will be analyzed. Ozone measurements in the 29,000 to 45,000 foot altitude were expanded over what has been available from ozonesondes. Limited aerosol composition measurements from filter samples show low levels of sulfates and nitrates in the upper troposphere. Recently installed instruments for measurement of carbon monoxide and condensation nuclei are beginning to return data.

  18. Automated Factor Slice Sampling

    PubMed Central

    Tibbits, Matthew M.; Groendyke, Chris; Haran, Murali; Liechty, John C.

    2013-01-01

    Markov chain Monte Carlo (MCMC) algorithms offer a very general approach for sampling from arbitrary distributions. However, designing and tuning MCMC algorithms for each new distribution, can be challenging and time consuming. It is particularly difficult to create an efficient sampler when there is strong dependence among the variables in a multivariate distribution. We describe a two-pronged approach for constructing efficient, automated MCMC algorithms: (1) we propose the “factor slice sampler”, a generalization of the univariate slice sampler where we treat the selection of a coordinate basis (factors) as an additional tuning parameter, and (2) we develop an approach for automatically selecting tuning parameters in order to construct an efficient factor slice sampler. In addition to automating the factor slice sampler, our tuning approach also applies to the standard univariate slice samplers. We demonstrate the efficiency and general applicability of our automated MCMC algorithm with a number of illustrative examples. PMID:24955002

  19. Revisiting sample entropy analysis

    NASA Astrophysics Data System (ADS)

    Govindan, R. B.; Wilson, J. D.; Eswaran, H.; Lowery, C. L.; Preißl, H.

    2007-03-01

    We modify the definition of sample entropy (SaEn) by incorporating a time delay between the components of the block (from which the densities are estimated) and show that the modified method characterizes the complexity of the system better than the original version. We apply the modified SaEn to the standard deterministic systems and stochastic processes (uncorrelated and long range correlated (LRC) processes) and show that the underlying complexity of the system is better quantified by the modified method. We extend this analysis to the RR intervals of the normal and congestive heart failure (CHF) subjects (available via www.physionet.org) and show that there is a good degree of separation between the two groups.

  20. Sample introducing apparatus and sample modules for mass spectrometer

    DOEpatents

    Thompson, C.V.; Wise, M.B.

    1993-12-21

    An apparatus for introducing gaseous samples from a wide range of environmental matrices into a mass spectrometer for analysis of the samples is described. Several sample preparing modules including a real-time air monitoring module, a soil/liquid purge module, and a thermal desorption module are individually and rapidly attachable to the sample introducing apparatus for supplying gaseous samples to the mass spectrometer. The sample-introducing apparatus uses a capillary column for conveying the gaseous samples into the mass spectrometer and is provided with an open/split interface in communication with the capillary and a sample archiving port through which at least about 90 percent of the gaseous sample in a mixture with an inert gas that was introduced into the sample introducing apparatus is separated from a minor portion of the mixture entering the capillary discharged from the sample introducing apparatus. 5 figures.

  1. Sample introducing apparatus and sample modules for mass spectrometer

    DOEpatents

    Thompson, Cyril V.; Wise, Marcus B.

    1993-01-01

    An apparatus for introducing gaseous samples from a wide range of environmental matrices into a mass spectrometer for analysis of the samples is described. Several sample preparing modules including a real-time air monitoring module, a soil/liquid purge module, and a thermal desorption module are individually and rapidly attachable to the sample introducing apparatus for supplying gaseous samples to the mass spectrometer. The sample-introducing apparatus uses a capillary column for conveying the gaseous samples into the mass spectrometer and is provided with an open/split interface in communication with the capillary and a sample archiving port through which at least about 90 percent of the gaseous sample in a mixture with an inert gas that was introduced into the sample introducing apparatus is separated from a minor portion of the mixture entering the capillary discharged from the sample introducing apparatus.

  2. NEO Sample Return mission

    NASA Astrophysics Data System (ADS)

    Barucci, M. A.; Neo-Sr Team

    The NEOs are representative of the population of asteroids and dead comets thought to be the remnants of the ancient planetesimals that accreted to form the planets. The chemical investigation of NEOs having primitive characteristics is thus essential in the understanding the planet formation and evolution. They carry records of the solar system's birth/early phases and the geological evolution of small bodies in the interplanetary regions. Moreover, collisions of NEOs with Earth represent a serious hazard to life. For all these reasons the exploration and characterization of these objects are particularly interesting and urgent. NEOs are interesting and highly accessible targets for scientific research and robotic exploration. Within this framework, the mission LEONARD including an orbiter and a lander to the primitive double object (1996 FG3) has been studied by CNES, in collaboration with a number of European planetologists (France, Italy, Germany and United Kingdom) and related Space Agencies. A new Sample Return mission is under study within a large European community and possible collaboration with the Japanese Space Agency JAXA to reply to the ESA Cosmic Vision AO. The principal objectives are to investigate on 1) the properties of the building blocks of the terrestrial planets; 2) the major events (e.g. agglomeration, heating, ... . . ) which ruled the history of planetesimals; 3) the primitive asteroids which could contain presolar material unknown in meteoritic samples; 4) the organics in primitive materials; 5) the initial conditions and evolution history of the solar nebula; and 6) how they can shed light on the origin of molecules necessary for life. This type of mission appears clearly to have the potential to revolutionize our understanding of primitive materials.

  3. Soil sampling kit and a method of sampling therewith

    DOEpatents

    Thompson, C.V.

    1991-02-05

    A soil sampling device and a sample containment device for containing a soil sample is disclosed. In addition, a method for taking a soil sample using the soil sampling device and soil sample containment device to minimize the loss of any volatile organic compounds contained in the soil sample prior to analysis is disclosed. The soil sampling device comprises two close fitting, longitudinal tubular members of suitable length, the inner tube having the outward end closed. With the inner closed tube withdrawn a selected distance, the outer tube can be inserted into the ground or other similar soft material to withdraw a sample of material for examination. The inner closed end tube controls the volume of the sample taken and also serves to eject the sample. The soil sample containment device has a sealing member which is adapted to attach to an analytical apparatus which analyzes the volatile organic compounds contained in the sample. The soil sampling device in combination with the soil sample containment device allows an operator to obtain a soil sample containing volatile organic compounds and minimizing the loss of the volatile organic compounds prior to analysis of the soil sample for the volatile organic compounds. 11 figures.

  4. Soil sampling kit and a method of sampling therewith

    DOEpatents

    Thompson, Cyril V.

    1991-01-01

    A soil sampling device and a sample containment device for containing a soil sample is disclosed. In addition, a method for taking a soil sample using the soil sampling device and soil sample containment device to minimize the loss of any volatile organic compounds contained in the soil sample prior to analysis is disclosed. The soil sampling device comprises two close fitting, longitudinal tubular members of suitable length, the inner tube having the outward end closed. With the inner closed tube withdrawn a selected distance, the outer tube can be inserted into the ground or other similar soft material to withdraw a sample of material for examination. The inner closed end tube controls the volume of the sample taken and also serves to eject the sample. The soil sample containment device has a sealing member which is adapted to attach to an analytical apparatus which analyzes the volatile organic compounds contained in the sample. The soil sampling device in combination with the soil sample containment device allow an operator to obtain a soil sample containing volatile organic compounds and minimizing the loss of the volatile organic compounds prior to analysis of the soil sample for the volatile organic compounds.

  5. Fluid sampling apparatus and method

    DOEpatents

    Yeamans, David R.

    1998-01-01

    Incorporation of a bellows in a sampling syringe eliminates ingress of contaminants, permits replication of amounts and compression of multiple sample injections, and enables remote sampling for off-site analysis.

  6. Fluid sampling apparatus and method

    DOEpatents

    Yeamans, D.R.

    1998-02-03

    Incorporation of a bellows in a sampling syringe eliminates ingress of contaminants, permits replication of amounts and compression of multiple sample injections, and enables remote sampling for off-site analysis. 3 figs.

  7. COMPOSITE SAMPLING FOR ENVIRONMENTAL MONITORING

    EPA Science Inventory

    Guidance for selecting a plan to tomposite environmental or biological samples is provided in the form of models, equations, tables, and criteria. Composite sampling procedures can increase sensitivity, reduce sampling variance, and dramatically reduce analytical costs, depending...

  8. Sample Manipulation System for Sample Analysis at Mars

    NASA Technical Reports Server (NTRS)

    Mumm, Erik; Kennedy, Tom; Carlson, Lee; Roberts, Dustyn

    2008-01-01

    The Sample Analysis at Mars (SAM) instrument will analyze Martian samples collected by the Mars Science Laboratory Rover with a suite of spectrometers. This paper discusses the driving requirements, design, and lessons learned in the development of the Sample Manipulation System (SMS) within SAM. The SMS stores and manipulates 74 sample cups to be used for solid sample pyrolysis experiments. Focus is given to the unique mechanism architecture developed to deliver a high packing density of sample cups in a reliable, fault tolerant manner while minimizing system mass and control complexity. Lessons learned are presented on contamination control, launch restraint mechanisms for fragile sample cups, and mechanism test data.

  9. Variable Sampling Mapping

    NASA Technical Reports Server (NTRS)

    Smith, Jeffrey, S.; Aronstein, David L.; Dean, Bruce H.; Lyon, Richard G.

    2012-01-01

    The performance of an optical system (for example, a telescope) is limited by the misalignments and manufacturing imperfections of the optical elements in the system. The impact of these misalignments and imperfections can be quantified by the phase variations imparted on light traveling through the system. Phase retrieval is a methodology for determining these variations. Phase retrieval uses images taken with the optical system and using a light source of known shape and characteristics. Unlike interferometric methods, which require an optical reference for comparison, and unlike Shack-Hartmann wavefront sensors that require special optical hardware at the optical system's exit pupil, phase retrieval is an in situ, image-based method for determining the phase variations of light at the system s exit pupil. Phase retrieval can be used both as an optical metrology tool (during fabrication of optical surfaces and assembly of optical systems) and as a sensor used in active, closed-loop control of an optical system, to optimize performance. One class of phase-retrieval algorithms is the iterative transform algorithm (ITA). ITAs estimate the phase variations by iteratively enforcing known constraints in the exit pupil and at the detector, determined from modeled or measured data. The Variable Sampling Mapping (VSM) technique is a new method for enforcing these constraints in ITAs. VSM is an open framework for addressing a wide range of issues that have previously been considered detrimental to high-accuracy phase retrieval, including undersampled images, broadband illumination, images taken at or near best focus, chromatic aberrations, jitter or vibration of the optical system or detector, and dead or noisy detector pixels. The VSM is a model-to-data mapping procedure. In VSM, fully sampled electric fields at multiple wavelengths are modeled inside the phase-retrieval algorithm, and then these fields are mapped to intensities on the light detector, using the properties

  10. Sample holder with optical features

    DOEpatents

    Milas, Mirko; Zhu, Yimei; Rameau, Jonathan David

    2013-07-30

    A sample holder for holding a sample to be observed for research purposes, particularly in a transmission electron microscope (TEM), generally includes an external alignment part for directing a light beam in a predetermined beam direction, a sample holder body in optical communication with the external alignment part and a sample support member disposed at a distal end of the sample holder body opposite the external alignment part for holding a sample to be analyzed. The sample holder body defines an internal conduit for the light beam and the sample support member includes a light beam positioner for directing the light beam between the sample holder body and the sample held by the sample support member.

  11. Deterministic multidimensional nonuniform gap sampling.

    PubMed

    Worley, Bradley; Powers, Robert

    2015-12-01

    Born from empirical observations in nonuniformly sampled multidimensional NMR data relating to gaps between sampled points, the Poisson-gap sampling method has enjoyed widespread use in biomolecular NMR. While the majority of nonuniform sampling schemes are fully randomly drawn from probability densities that vary over a Nyquist grid, the Poisson-gap scheme employs constrained random deviates to minimize the gaps between sampled grid points. We describe a deterministic gap sampling method, based on the average behavior of Poisson-gap sampling, which performs comparably to its random counterpart with the additional benefit of completely deterministic behavior. We also introduce a general algorithm for multidimensional nonuniform sampling based on a gap equation, and apply it to yield a deterministic sampling scheme that combines burst-mode sampling features with those of Poisson-gap schemes. Finally, we derive a relationship between stochastic gap equations and the expectation value of their sampling probability densities.

  12. Deterministic multidimensional nonuniform gap sampling

    NASA Astrophysics Data System (ADS)

    Worley, Bradley; Powers, Robert

    2015-12-01

    Born from empirical observations in nonuniformly sampled multidimensional NMR data relating to gaps between sampled points, the Poisson-gap sampling method has enjoyed widespread use in biomolecular NMR. While the majority of nonuniform sampling schemes are fully randomly drawn from probability densities that vary over a Nyquist grid, the Poisson-gap scheme employs constrained random deviates to minimize the gaps between sampled grid points. We describe a deterministic gap sampling method, based on the average behavior of Poisson-gap sampling, which performs comparably to its random counterpart with the additional benefit of completely deterministic behavior. We also introduce a general algorithm for multidimensional nonuniform sampling based on a gap equation, and apply it to yield a deterministic sampling scheme that combines burst-mode sampling features with those of Poisson-gap schemes. Finally, we derive a relationship between stochastic gap equations and the expectation value of their sampling probability densities.

  13. Super-sample signal

    NASA Astrophysics Data System (ADS)

    Li, Yin; Hu, Wayne; Takada, Masahiro

    2014-11-01

    When extracting cosmological information from power spectrum measurements, we must consider the impact of super-sample density fluctuations whose wavelengths are larger than the survey scale. These modes contribute to the mean density fluctuation δb in the survey and change the power spectrum in the same way as a change in the cosmological background. They can be simply included in cosmological parameter estimation and forecasts by treating δb as an additional cosmological parameter enabling efficient exploration of its impact. To test this approach, we consider here an idealized measurement of the matter power spectrum itself in the Λ CDM cosmology though our techniques can readily be extended to more observationally relevant statistics or other parameter spaces. Using subvolumes of large-volume N -body simulations for power spectra measured with respect to either the global or local mean density, we verify that the minimum variance estimator of δb is both unbiased and has the predicted variance. Parameter degeneracies arise since the response of the matter power spectrum to δb and cosmological parameters share similar properties in changing the growth of structure and dilating the scale of features especially in the local case. For matter power spectrum measurements, these degeneracies can lead in certain cases to substantial error degradation and motivates future studies of specific cosmological observables such as galaxy clustering and weak lensing statistics with these techniques.

  14. Mesospheric aerosol sampling spectrometer

    NASA Astrophysics Data System (ADS)

    Knappmiller, Scott; Robertson, Scott; Sternovsky, Zoltan; Horanyi, Mihaly; Kohnert, Rick

    . The Mesospheric Aerosol Sampling Spectrometer (MASS) instrument has been launched on two sounding rockets in August, 2007 from Andoya, Norway to detect charged sub-visible aerosol particles in the polar mesosphere. The MASS instrument is designed to collect charged aerosols, cluster ions, and electrons on four pairs of graphite electrodes, three of which are biased with increasing voltage. The design of the MASS instrument was complicated by the short mean free path in the mesosphere. The opening to MASS was deliberately built to increase the mean free path and to reduce the shock wave within the instrument. The design procedure began with aerodynamics simulations of the flow through the instrument using Direct Simulation Monte Carlo (DSMC) in 3-D. The electric fields within the instrument were calculated using a Laplace solver in 3-D. With the aerodynamic and electric field simulations completed, an algorithm was created to find the trajectories of charged aerosols including collisions within MASS. Using this algorithm the collection efficiencies for each electrode was calculated as a function of the charge to mass ratio of the incoming particle. The simulation results have been confirmed experimentally using an Argon RF ion beam. The data from the August launches have been analyzed and the initial results show the MASS instrument operated as expected. Additional studies are underway to determine if there were effects from payload charging or spurious charge generation within the instrument. This project is supported by NASA.

  15. Apollo Lunar Sample Integration into Google Moon: A New Approach to Digitization

    NASA Astrophysics Data System (ADS)

    Dawson, M. D.; Todd, N. S.; Lofgren, G. E.

    2011-03-01

    The Google Moon Apollo Lunar Sample Data Integration project enhances the Apollo mission data available on Google Moon and provides an interactive research and learning tool for the Apollo lunar rock sample collection.

  16. Cognitive Enhancement and Education

    ERIC Educational Resources Information Center

    Buchanan, Allen

    2011-01-01

    Cognitive enhancement--augmenting normal cognitive capacities--is not new. Literacy, numeracy, computers, and the practices of science are all cognitive enhancements. Science is now making new cognitive enhancements possible. Biomedical cognitive enhancements (BCEs) include the administration of drugs, implants of genetically engineered or…

  17. Preservation of Liquid Biological Samples

    NASA Technical Reports Server (NTRS)

    Putcha, Lakshmi (Inventor); Nimmagudda, Ramalingeshwara R. (Inventor)

    2000-01-01

    The present invention provides a method of preserving a liquid biological sample, comprising the step of: contacting said liquid biological sample with a preservative comprising, sodium benzoate in an amount of at least about 0.15% of the sample (weight/volume) and citric acid in an amount of at least about 0.025% of the sample (weight/volume).

  18. Importance sampling : promises and limitations.

    SciTech Connect

    West, Nicholas J.; Swiler, Laura Painton

    2010-04-01

    Importance sampling is an unbiased sampling method used to sample random variables from different densities than originally defined. These importance sampling densities are constructed to pick 'important' values of input random variables to improve the estimation of a statistical response of interest, such as a mean or probability of failure. Conceptually, importance sampling is very attractive: for example one wants to generate more samples in a failure region when estimating failure probabilities. In practice, however, importance sampling can be challenging to implement efficiently, especially in a general framework that will allow solutions for many classes of problems. We are interested in the promises and limitations of importance sampling as applied to computationally expensive finite element simulations which are treated as 'black-box' codes. In this paper, we present a customized importance sampler that is meant to be used after an initial set of Latin Hypercube samples has been taken, to help refine a failure probability estimate. The importance sampling densities are constructed based on kernel density estimators. We examine importance sampling with respect to two main questions: is importance sampling efficient and accurate for situations where we can only afford small numbers of samples? And does importance sampling require the use of surrogate methods to generate a sufficient number of samples so that the importance sampling process does increase the accuracy of the failure probability estimate? We present various case studies to address these questions.

  19. An Experiment in Enhancing Catalog Records at Carnegie Mellon University.

    ERIC Educational Resources Information Center

    Michalak, Thomas J.

    1990-01-01

    Describes an experimental project at Carnegie Mellon University to enhance catalog records in order to improve the quality of the records and access to resources. Criteria for selecting books for enhanced cataloging and implementation of enhancement procedures are discussed. Several sample screen displays are included. (Three references) (MES)

  20. Sampling-interval-dependent stability for linear sampled-data systems with non-uniform sampling

    NASA Astrophysics Data System (ADS)

    Shao, Hanyong; Lam, James; Feng, Zhiguang

    2016-09-01

    This paper is concerned with the sampling-interval-dependent stability of linear sampled-data systems with non-uniform sampling. A new Lyapunov-like functional is constructed to derive sampling-interval-dependent stability results. The Lyapunov-like functional has three features. First, it depends on time explicitly. Second, it may be discontinuous at the sampling instants. Third, it is not required to be positive definite between sampling instants. Moreover, the new Lyapunov-like functional can make use of the information fully of the sampled-data system, including that of both ends of the sampling interval. By making a new proposition for the Lyapunov-like functional, a sampling-interval-dependent stability criterion with reduced conservatism is derived. The new sampling-interval-dependent stability criterion is further extended to linear sampled-data systems with polytopic uncertainties. Finally, examples are given to illustrate the reduced conservatism of the stability criteria.

  1. Preservation of Liquid Biological Samples

    NASA Technical Reports Server (NTRS)

    Putcha, Lakshmi (Inventor); Nimmagudda, Ramalingeshwara (Inventor)

    2004-01-01

    The present invention related to the preservation of a liquid biological sample. The biological sample is exposed to a preservative containing at least about 0.15 g of sodium benzoate and at least about 0.025 g of citric acid per 100 ml of sample. The biological sample may be collected in a vessel or an absorbent mass. The biological sample may also be exposed to a substrate and/or a vehicle.

  2. INCORPORATING PRIOR KNOWLEDGE IN ENVIRONMENTAL SAMPLING: RANKED SET SAMPLING AND OTHER DOUBLE SAMPLING PROCEDURES

    EPA Science Inventory

    Environmental sampling can be difficult and expensive to carry out. Those taking the samples would like to integrate their knowledge of the system of study or their judgment about the system into the sample selection process to decrease the number of necessary samples. However,...

  3. System for Earth Sample Registration SESAR: Services for IGSN Registration and Sample Metadata Management

    NASA Astrophysics Data System (ADS)

    Chan, S.; Lehnert, K. A.; Coleman, R. J.

    2011-12-01

    SESAR, the System for Earth Sample Registration, is an online registry for physical samples collected for Earth and environmental studies. SESAR generates and administers the International Geo Sample Number IGSN, a unique identifier for samples that is dramatically advancing interoperability amongst information systems for sample-based data. SESAR was developed to provide the complete range of registry services, including definition of IGSN syntax and metadata profiles, registration and validation of name spaces requested by users, tools for users to submit and manage sample metadata, validation of submitted metadata, generation and validation of the unique identifiers, archiving of sample metadata, and public or private access to the sample metadata catalog. With the development of SESAR v3, we placed particular emphasis on creating enhanced tools that make metadata submission easier and more efficient for users, and that provide superior functionality for users to manage metadata of their samples in their private workspace MySESAR. For example, SESAR v3 includes a module where users can generate custom spreadsheet templates to enter metadata for their samples, then upload these templates online for sample registration. Once the content of the template is uploaded, it is displayed online in an editable grid format. Validation rules are executed in real-time on the grid data to ensure data integrity. Other new features of SESAR v3 include the capability to transfer ownership of samples to other SESAR users, the ability to upload and store images and other files in a sample metadata profile, and the tracking of changes to sample metadata profiles. In the next version of SESAR (v3.5), we will further improve the discovery, sharing, registration of samples. For example, we are developing a more comprehensive suite of web services that will allow discovery and registration access to SESAR from external systems. Both batch and individual registrations will be possible

  4. Enhancement and Civic Virtue

    PubMed Central

    Jefferson, Will; Douglas, Thomas; Kahane, Guy; Savulescu, Julian

    2014-01-01

    Opponents of biomedical enhancement frequently adopt what Allen Buchanan has called the Personal Goods Assumption. On this assumption, the benefits of biomedical enhancement will accrue primarily to those individuals who undergo enhancements, not to wider society. Buchanan has argued that biomedical enhancements might in fact have substantial social benefits by increasing productivity. We outline another way in which enhancements might benefit wider society: by augmenting civic virtue and thus improving the functioning of our political communities. We thus directly confront critics of biomedical enhancement who argue that it will lead to a loss of social cohesion and a breakdown in political life. PMID:24882886

  5. Sample Tube Sealing for Future Proposed Mars Sample Return Missions

    NASA Technical Reports Server (NTRS)

    Younse, P.; Aveline, D.; Bao, X.; Berisford, D.; Bhandari, P.; Budney, C.; Chen, F.; Cooper, M.; Chung, S.; Lewis, D.

    2013-01-01

    A key premise of a proposed Sample Caching Rover, a crucial element of the proposed Mars Sample Return (MSR) campaign, is that the samples could be packaged and left on Mars for an extended period of time (at least five Mars years) without loss of scientific value (Fig. 1). The MEPAG E2E-iSAG (2011) concluded that the single most important factor in preserving the scientific integrity of the samples during the interval between their collection and their analysis is effective sealing of the samples.

  6. Lessons learned during Apollo lunar sample quarantine and sample curation

    NASA Astrophysics Data System (ADS)

    Allton, J. H.; Bagby, J. R.; Stabekis, P. D.

    During fast-paced Apollo, three responsibilities often competed: 1) landing a man on the Moon and returning him safely, 2) prevention of back contamination, and 3) sample curation. Coordination of U.S. agency back contamination requirements was done by the Interagency Committee on Back Contamination (ICBC). The most severe constraint to proper implementation of flight requirements was lack of time. Preservation, examination and distribution of samples was overseen by the Lunar Sample Analysis Planning Team (LSAPT) which did not feel the Lunar Receiving Laboratory (LRL) was suitable for sample curation and moved the samples to another facility at the conclusion of Apollo 17. The Apollo experience emphasizes the need for 1) early back contamination and sample curation planning, 2) adequate time to implement requirements and 3) high level management responsibility. Building mutual respect for quarantine and sample curation is highly desirable.

  7. Sampling properties of directed networks.

    PubMed

    Son, S-W; Christensen, C; Bizhani, G; Foster, D V; Grassberger, P; Paczuski, M

    2012-10-01

    For many real-world networks only a small "sampled" version of the original network may be investigated; those results are then used to draw conclusions about the actual system. Variants of breadth-first search (BFS) sampling, which are based on epidemic processes, are widely used. Although it is well established that BFS sampling fails, in most cases, to capture the IN component(s) of directed networks, a description of the effects of BFS sampling on other topological properties is all but absent from the literature. To systematically study the effects of sampling biases on directed networks, we compare BFS sampling to random sampling on complete large-scale directed networks. We present new results and a thorough analysis of the topological properties of seven complete directed networks (prior to sampling), including three versions of Wikipedia, three different sources of sampled World Wide Web data, and an Internet-based social network. We detail the differences that sampling method and coverage can make to the structural properties of sampled versions of these seven networks. Most notably, we find that sampling method and coverage affect both the bow-tie structure and the number and structure of strongly connected components in sampled networks. In addition, at a low sampling coverage (i.e., less than 40%), the values of average degree, variance of out-degree, degree autocorrelation, and link reciprocity are overestimated by 30% or more in BFS-sampled networks and only attain values within 10% of the corresponding values in the complete networks when sampling coverage is in excess of 65%. These results may cause us to rethink what we know about the structure, function, and evolution of real-world directed networks.

  8. Resonance enhanced neutron standing waves in thin films

    SciTech Connect

    Satija, S.K.; Gallagher, P.D.; Lindstrom, R.M.; Paul, R.L.; Zhang, H. |; Russell, T.P.; Lambooy, P.; Kramer, E.J.

    1995-12-31

    Simultaneous measurements of neutron reflectivity and prompt gamma ray emission, from samples with buried Gd layers, are shown to be of significant aid in determining the depth profile of the entire sample. Because of resonant enhancement of the neutron standing waves in the sample, the gamma ray signals are considerably enhanced making these experiments possible. A possible application of this technique to study grazing angle neutron diffraction is also mentioned.

  9. Correction of Anisokinetic Sampling Errors.

    ERIC Educational Resources Information Center

    Nelson, William G.

    Gas flow patterns at a sampling nozzle are described in this presentation for the 12th Conference on Methods in Air Pollution and Industrial Hygiene Studies, University of Southern California, April, 1971. Three situations for sampling velocity are illustrated and analyzed, where the flow upstream of a sampling probe is: (1) equal to free stream…

  10. Automated microorganism Sample Collection Module

    NASA Technical Reports Server (NTRS)

    Gall, L. S.; Graham, M. D.; Umbreit, W.

    1969-01-01

    Modified Gelman Sampler obtains representative sample of microorganism population. Proposed Sample Collection Module is based on direct inoculation of selected solid growth media encased in a cartridge at all times except during inoculation. Cartridge can be handled with no danger of contamination to sample or operator.

  11. Hanford Sampling Quality Management Plan (HSQMP)

    SciTech Connect

    Hyatt, J.E.

    1995-04-28

    This document provides a management tool for evaluating and designing the appropriate elements of a field sampling program. This document provides discussion of the elements of a program and is to be used as a guidance document during the preparation of project and/or function specific documentation. This document does not specify how a sampling program shall be organized. The HSQMP is to be used as a companion document to the Hanford Analytical Services Quality Assurance Plan (HASQAP) DOE/RL-94-55. The generation of this document was enhanced by conducting baseline evaluations of current sampling organizations. Valuable input was received from members of field and Quality Assurance organizations. The HSQMP is expected to be a living document. Revisions will be made as regulations and or Hanford Site conditions warrant changes in the best management practices. Appendices included are: summary of the sampling and analysis work flow process, a user`s guide to the Data Quality Objective process, and a self-assessment checklist.

  12. Sampling properties of directed networks

    NASA Astrophysics Data System (ADS)

    Son, S.-W.; Christensen, C.; Bizhani, G.; Foster, D. V.; Grassberger, P.; Paczuski, M.

    2012-10-01

    For many real-world networks only a small “sampled” version of the original network may be investigated; those results are then used to draw conclusions about the actual system. Variants of breadth-first search (BFS) sampling, which are based on epidemic processes, are widely used. Although it is well established that BFS sampling fails, in most cases, to capture the IN component(s) of directed networks, a description of the effects of BFS sampling on other topological properties is all but absent from the literature. To systematically study the effects of sampling biases on directed networks, we compare BFS sampling to random sampling on complete large-scale directed networks. We present new results and a thorough analysis of the topological properties of seven complete directed networks (prior to sampling), including three versions of Wikipedia, three different sources of sampled World Wide Web data, and an Internet-based social network. We detail the differences that sampling method and coverage can make to the structural properties of sampled versions of these seven networks. Most notably, we find that sampling method and coverage affect both the bow-tie structure and the number and structure of strongly connected components in sampled networks. In addition, at a low sampling coverage (i.e., less than 40%), the values of average degree, variance of out-degree, degree autocorrelation, and link reciprocity are overestimated by 30% or more in BFS-sampled networks and only attain values within 10% of the corresponding values in the complete networks when sampling coverage is in excess of 65%. These results may cause us to rethink what we know about the structure, function, and evolution of real-world directed networks.

  13. Sampling and sample processing in pesticide residue analysis.

    PubMed

    Lehotay, Steven J; Cook, Jo Marie

    2015-05-13

    Proper sampling and sample processing in pesticide residue analysis of food and soil have always been essential to obtain accurate results, but the subject is becoming a greater concern as approximately 100 mg test portions are being analyzed with automated high-throughput analytical methods by agrochemical industry and contract laboratories. As global food trade and the importance of monitoring increase, the food industry and regulatory laboratories are also considering miniaturized high-throughput methods. In conjunction with a summary of the symposium "Residues in Food and Feed - Going from Macro to Micro: The Future of Sample Processing in Residue Analytical Methods" held at the 13th IUPAC International Congress of Pesticide Chemistry, this is an opportune time to review sampling theory and sample processing for pesticide residue analysis. If collected samples and test portions do not adequately represent the actual lot from which they came and provide meaningful results, then all costs, time, and efforts involved in implementing programs using sophisticated analytical instruments and techniques are wasted and can actually yield misleading results. This paper is designed to briefly review the often-neglected but crucial topic of sample collection and processing and put the issue into perspective for the future of pesticide residue analysis. It also emphasizes that analysts should demonstrate the validity of their sample processing approaches for the analytes/matrices of interest and encourages further studies on sampling and sample mass reduction to produce a test portion.

  14. Chemical penetration enhancers.

    PubMed

    Newton, Stephen J

    2013-01-01

    Chemical penetration enhancers are utilized in topical preparations as a method for enhancing permeation of drugs across the skin. In particular, they are utilized for transdermal delivery of medications in an attempt to produce a systemic response, to avoid first-pass metabolism, and to decrease the gastrointestinal transit time observed with oral medications. A review of the selection of chemical penetration enhancers, their mechanism of action, the most common chemical penetration enhancers in each class, and alternatives will be discussed in detail.

  15. Mars Sample Quarantine Protocol Workshop

    NASA Technical Reports Server (NTRS)

    DeVincenzi, Donald L. (Editor); Bagby, John (Editor); Race, Margaret (Editor); Rummel, John (Editor)

    1999-01-01

    The Mars Sample Quarantine Protocol (QP) Workshop was convened to deal with three specific aspects of the initial handling of a returned Mars sample: 1) biocontainment, to prevent uncontrolled release of sample material into the terrestrial environment; 2) life detection, to examine the sample for evidence of live organisms; and 3) biohazard testing, to determine if the sample poses any threat to terrestrial life forms and the Earth's biosphere. During the first part of the Workshop, several tutorials were presented on topics related to the workshop in order to give all participants a common basis in the technical areas necessary to achieve the objectives of the Workshop.

  16. On-line microdialysis sample cleanup for electrospray ionization mass spectrometry of nucleic acid samples

    SciTech Connect

    Liu, C.; Wu, Q.; Harms, A.C.; Smith, R.D.

    1996-09-15

    A major limitation of electrospray ionization mass spectrometry (ESI-MS) for oligonucleotide analysis arises due to sodium adduction, a problem that increases with molecular weight. Sodium adduction can preclude useful measurements when limited sample sizes prevent off-line cleanup. A novel and generally useful on-line microdialysis technique is described for the rapid (nearly 1-5 min) DNA sample cleanup for ESI-MS. Mass spectra of oligonucleotides of different size and sequence showing no significant sodium adduct peaks were obtained using the on-line microdialysis system with sodium chloride concentrations as high as 250 mM. Signal-to-noise ratios were also greatly enhanced compared to direct infusion of the original samples. By using ammonium acetate as the dialysis buffer, it was also found that the noncovalent association of double-stranded oligonucleotides could be preserved during the microdialysis process, allowing analysis by ESI-MS. 33 refs., 6 figs.

  17. Clean and Cold Sample Curation

    NASA Technical Reports Server (NTRS)

    Allen, C. C.; Agee, C. B.; Beer, R.; Cooper, B. L.

    2000-01-01

    Curation of Mars samples includes both samples that are returned to Earth, and samples that are collected, examined, and archived on Mars. Both kinds of curation operations will require careful planning to ensure that the samples are not contaminated by the instruments that are used to collect and contain them. In both cases, sample examination and subdivision must take place in an environment that is organically, inorganically, and biologically clean. Some samples will need to be prepared for analysis under ultra-clean or cryogenic conditions. Inorganic and biological cleanliness are achievable separately by cleanroom and biosafety lab techniques. Organic cleanliness to the <50 ng/sq cm level requires material control and sorbent removal - techniques being applied in our Class 10 cleanrooms and sample processing gloveboxes.

  18. Sample size calculation: Basic principles

    PubMed Central

    Das, Sabyasachi; Mitra, Koel; Mandal, Mohanchandra

    2016-01-01

    Addressing a sample size is a practical issue that has to be solved during planning and designing stage of the study. The aim of any clinical research is to detect the actual difference between two groups (power) and to provide an estimate of the difference with a reasonable accuracy (precision). Hence, researchers should do a priori estimate of sample size well ahead, before conducting the study. Post hoc sample size computation is not encouraged conventionally. Adequate sample size minimizes the random error or in other words, lessens something happening by chance. Too small a sample may fail to answer the research question and can be of questionable validity or provide an imprecise answer while too large a sample may answer the question but is resource-intensive and also may be unethical. More transparency in the calculation of sample size is required so that it can be justified and replicated while reporting. PMID:27729692

  19. Adaptive sampling for noisy problems

    SciTech Connect

    Cantu-Paz, E

    2004-03-26

    The usual approach to deal with noise present in many real-world optimization problems is to take an arbitrary number of samples of the objective function and use the sample average as an estimate of the true objective value. The number of samples is typically chosen arbitrarily and remains constant for the entire optimization process. This paper studies an adaptive sampling technique that varies the number of samples based on the uncertainty of deciding between two individuals. Experiments demonstrate the effect of adaptive sampling on the final solution quality reached by a genetic algorithm and the computational cost required to find the solution. The results suggest that the adaptive technique can effectively eliminate the need to set the sample size a priori, but in many cases it requires high computational costs.

  20. Obstructions to Sampling Qualitative Properties

    PubMed Central

    Reimers, Arne C.

    2015-01-01

    Background Sampling methods have proven to be a very efficient and intuitive method to understand properties of complicated spaces that cannot easily be computed using deterministic methods. Therefore, sampling methods became a popular tool in the applied sciences. Results Here, we show that sampling methods are not an appropriate tool to analyze qualitative properties of complicated spaces unless RP = NP. We illustrate these results on the example of the thermodynamically feasible flux space of genome-scale metabolic networks and show that with artificial centering hit and run (ACHR) not all reactions that can have variable flux rates are sampled with variables flux rates. In particular a uniform sample of the flux space would not sample the flux variabilities completely. Conclusion We conclude that unless theoretical convergence results exist, qualitative results obtained from sampling methods should be considered with caution and if possible double checked using a deterministic method. PMID:26287384

  1. Sub-sampling and preparing forensic samples for pollen analysis.

    PubMed

    Horrocks, Mark

    2004-09-01

    The main forensic application of palynology is in providing associative evidence, assisting to prove or disprove a link between people and objects with places or with other people. Although identification and interpretation of pollen is a specialist job, sub-sampling and preparing pollen samples for analysis may be carried out by non-specialists. As few forensic laboratories have residing palynologists, laboratories may wish to reduce the cost of analysis or risk of contamination by doing their own sub-sampling and preparation. Presented is a practical guide for sub-sampling and preparing forensic samples for pollen analysis, providing a complete standard procedure for both the palynologist and non-specialist. Procedures for sub-sampling include a wide variety of materials commonly collected for forensic analysis (soil, clothing and other fabrics, footwear, twine and rope, firearms, granulated materials, plant and animal material, and illicit drugs), many of which palynologists will not be familiar with. Procedures for preparation of samples (pollen concentration) are presented as a detailed, step-by-step method. Minimizing the risks of laboratory and cross-sample contamination during sub-sampling and preparation is emphasized.

  2. Permeability enhancement by shock cooling

    NASA Astrophysics Data System (ADS)

    Griffiths, Luke; Heap, Michael; Reuschlé, Thierry; Baud, Patrick; Schmittbuhl, Jean

    2015-04-01

    The permeability of an efficient reservoir, e.g. a geothermal reservoir, should be sufficient to permit the circulation of fluids. Generally speaking, permeability decreases over the life cycle of the geothermal system. As a result, is usually necessary to artificially maintain and enhance the natural permeability of these systems. One of the methods of enhancement -- studied here -- is thermal stimulation (injecting cold water at low pressure). This goal of this method is to encourage new thermal cracks within the reservoir host rocks, thereby increasing reservoir permeability. To investigate the development of thermal microcracking in the laboratory we selected two granites: a fine-grained (Garibaldi Grey granite, grain size = 0.5 mm) and a course-grained granite (Lanhelin granite, grain size = 2 mm). Both granites have an initial porosity of about 1%. Our samples were heated to a range of temperatures (100-1000 °C) and were either cooled slowly (1 °C/min) or shock cooled (100 °C/s). A systematic microstructural (2D crack area density, using standard stereological techniques, and 3D BET specific surface area measurements) and rock physical property (porosity, P-wave velocity, uniaxial compressive strength, and permeability) analysis was undertaken to understand the influence of slow and shock cooling on our reservoir granites. Microstructurally, we observe that the 2D crack surface area per unit volume and the specific surface area increase as a result of thermal stressing, and, for the same maximum temperature, crack surface area is higher in the shock cooled samples. This observation is echoed by our rock physical property measurements: we see greater changes for the shock cooled samples. We can conclude that shock cooling is an extremely efficient method of generating thermal microcracks and modifying rock physical properties. Our study highlights that thermal treatments are likely to be an efficient method for the "matrix" permeability enhancement of

  3. Comet coma sample return instrument

    NASA Technical Reports Server (NTRS)

    Albee, A. L.; Brownlee, Don E.; Burnett, Donald S.; Tsou, Peter; Uesugi, K. T.

    1994-01-01

    The sample collection technology and instrument concept for the Sample of Comet Coma Earth Return Mission (SOCCER) are described. The scientific goals of this Flyby Sample Return are to return to coma dust and volatile samples from a known comet source, which will permit accurate elemental and isotopic measurements for thousands of individual solid particles and volatiles, detailed analysis of the dust structure, morphology, and mineralogy of the intact samples, and identification of the biogenic elements or compounds in the solid and volatile samples. Having these intact samples, morphologic, petrographic, and phase structural features can be determined. Information on dust particle size, shape, and density can be ascertained by analyzing penetration holes and tracks in the capture medium. Time and spatial data of dust capture will provide understanding of the flux dynamics of the coma and the jets. Additional information will include the identification of cosmic ray tracks in the cometary grains, which can provide a particle's process history and perhaps even the age of the comet. The measurements will be made with the same equipment used for studying micrometeorites for decades past; hence, the results can be directly compared without extrapolation or modification. The data will provide a powerful and direct technique for comparing the cometary samples with all known types of meteorites and interplanetary dust. This sample collection system will provide the first sample return from a specifically identified primitive body and will allow, for the first time, a direct method of matching meteoritic materials captured on Earth with known parent bodies.

  4. SALTSTONE PROCESSING FACILITY TRANSFER SAMPLE

    SciTech Connect

    Cozzi, A.; Reigel, M.

    2010-08-04

    On May 19, 2010, the Saltstone Production Facility inadvertently transferred 1800 gallons of untreated waste from the salt feed tank to Vault 4. During shut down, approximately 70 gallons of the material was left in the Saltstone hopper. A sample of the slurry in the hopper was sent to Savannah River National Laboratory (SRNL) to analyze the density, pH and the eight Resource Conservation and Recovery Act (RCRA) metals. The sample was hazardous for chromium, mercury and pH. The sample received from the Saltstone hopper was analyzed visually while obtaining sample aliquots and while the sample was allowed to settle. It was observed that the sample contains solids that settle in approximately 20 minutes (Figure 3-1). There is a floating layer on top of the supernate during settling and disperses when the sample is agitated (Figure 3-2). The untreated waste inadvertently transferred from the SFT to Vault 4 was toxic for chromium and mercury. In addition, the pH of the sample is at the regulatory limit. Visually inspecting the sample indicates solids present in the sample.

  5. Construction Site Storm Water Sampling California's New Construction Sampling and Analysis Requirements

    SciTech Connect

    Forrest, C.L.; Mathews, S.

    2002-04-02

    The California State Water Resources Control Board (State Board) originally issued a National Pollutant Discharge System (NPDES) permit for storm water discharges associated with construction activities in 1992. This NPDES permit was issued as a general permit, applicable throughout the state (with certain exceptions). The general construction permit was made site-specific by a discharger-developed Storm Water Pollution Prevention Plan (SWPPP). As with most NPDES construction storm water permits, monitoring requirements were limited to inspections. Sampling and analysis of discharges was not specifically required, but a Regional Water Quality Control Board (Regional Board) could require additional monitoring. In 1999, the State -Board revised and reissued its construction general permit. While the 1999 permit significantly enhanced the erosion and sediment control descriptions and requirements, and expanded the inspection program, sampling and analysis was still not required. Environmental advocacy groups took exception to the absence of sampling requirements and sought relief in court to add sampling and analysis. In 2001, the State Board in response to the court order adopted a resolution requiring sampling and analysis of construction site runoff under two conditions. Turbidity and/or sediment sampling is required when construction site runoff enters water bodies determined to impaired for sediment or turbidity. Sampling for non-visible pollutants is required when construction operations expose materials to storm water. Sampling construction site runoff is relatively new concept for NPDES permits. Only a few permits throughout the country require sampling and analysis for sediment-related pollutants, and California is one of the only permitting entities to require sampling for non-visible pollutants in construction site runoff. The added complexity of sampling runoff requires construction operators and erosion and sediment control professionals to expand their

  6. Chemical analyses of provided samples

    NASA Technical Reports Server (NTRS)

    Becker, Christopher H.

    1993-01-01

    Two batches of samples were received and chemical analysis was performed of the surface and near surface regions of the samples by the surface analysis by laser ionization (SALI) method. The samples included four one-inch optics and several paint samples. The analyses emphasized surface contamination or modification. In these studies, pulsed sputtering by 7 keV Ar+ and primarily single-photon ionization (SPI) by coherent 118 nm radiation (at approximately 5 x 10(exp 5) W/cm(sup 2) were used. For two of the samples, also multiphoton ionization (MPI) at 266 nm (approximately 5 x 10(exp 11) W/cm(sup 2) was used. Most notable among the results was the silicone contamination on Mg2 mirror 28-92, and that the Long Duration Exposure Facility (LDEF) paint sample had been enriched in K and Na and depleted in Zn, Si, B, and organic compounds relative to the control paint.

  7. Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways

    PubMed Central

    Wu, Dongsheng; Fajer, Mikolai I.; Cao, Liaoran; Cheng, Xiaolin; Yang, Wei

    2016-01-01

    Free energy path sampling plays an essential role in computational understanding of chemical reactions, particularly those occurring in enzymatic environments. Among a variety of molecular dynamics simulation approaches, the generalized ensemble sampling strategy is uniquely attractive for the fact that it not only can enhance the sampling of rare chemical events but also can naturally ensure consistent exploration of environmental degrees of freedom. In this review, we plan to provide a tutorial-like tour on an emerging topic: generalized ensemble sampling of enzyme reaction free energy path. The discussion is largely focused on our own studies, particularly ones based on the metadynamics free energy sampling method and the on-the-path random walk path sampling method. We hope that this mini presentation will provide interested practitioners some meaningful guidance for future algorithm formulation and application study. PMID:27498634

  8. Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways.

    PubMed

    Wu, D; Fajer, M I; Cao, L; Cheng, X; Yang, W

    2016-01-01

    Free energy path sampling plays an essential role in computational understanding of chemical reactions, particularly those occurring in enzymatic environments. Among a variety of molecular dynamics simulation approaches, the generalized ensemble sampling strategy is uniquely attractive for the fact that it not only can enhance the sampling of rare chemical events but also can naturally ensure consistent exploration of environmental degrees of freedom. In this review, we plan to provide a tutorial-like tour on an emerging topic: generalized ensemble sampling of enzyme reaction free energy path. The discussion is largely focused on our own studies, particularly ones based on the metadynamics free energy sampling method and the on-the-path random walk path sampling method. We hope that this minipresentation will provide interested practitioners some meaningful guidance for future algorithm formulation and application study.

  9. Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways.

    PubMed

    Wu, D; Fajer, M I; Cao, L; Cheng, X; Yang, W

    2016-01-01

    Free energy path sampling plays an essential role in computational understanding of chemical reactions, particularly those occurring in enzymatic environments. Among a variety of molecular dynamics simulation approaches, the generalized ensemble sampling strategy is uniquely attractive for the fact that it not only can enhance the sampling of rare chemical events but also can naturally ensure consistent exploration of environmental degrees of freedom. In this review, we plan to provide a tutorial-like tour on an emerging topic: generalized ensemble sampling of enzyme reaction free energy path. The discussion is largely focused on our own studies, particularly ones based on the metadynamics free energy sampling method and the on-the-path random walk path sampling method. We hope that this minipresentation will provide interested practitioners some meaningful guidance for future algorithm formulation and application study. PMID:27498634

  10. Study of sample drilling techniques for Mars sample return missions

    NASA Technical Reports Server (NTRS)

    Mitchell, D. C.; Harris, P. T.

    1980-01-01

    To demonstrate the feasibility of acquiring various surface samples for a Mars sample return mission the following tasks were performed: (1) design of a Mars rover-mounted drill system capable of acquiring crystalline rock cores; prediction of performance, mass, and power requirements for various size systems, and the generation of engineering drawings; (2) performance of simulated permafrost coring tests using a residual Apollo lunar surface drill, (3) design of a rock breaker system which can be used to produce small samples of rock chips from rocks which are too large to return to Earth, but too small to be cored with the Rover-mounted drill; (4)design of sample containers for the selected regolith cores, rock cores, and small particulate or rock samples; and (5) design of sample handling and transfer techniques which will be required through all phase of sample acquisition, processing, and stowage on-board the Earth return vehicle. A preliminary design of a light-weight Rover-mounted sampling scoop was also developed.

  11. 16. DETAILED VIEW OF SAMPLING EQUIPMENT. SAMPLED OFFGAS IS SENT ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    16. DETAILED VIEW OF SAMPLING EQUIPMENT. SAMPLED OFF-GAS IS SENT THROUGH A FOUR - STAGE COLD WATER TRAP. COOLING OF THE GAS ALLOWS A CONDENSATE TO FORM. THE CONDENSATE IS ANALYZED FOR CHEMICAL CONTENT. (6/2/80) - Rocky Flats Plant, Plutonium Fabrication, Central section of Plant, Golden, Jefferson County, CO

  12. Acceptance sampling using judgmental and randomly selected samples

    SciTech Connect

    Sego, Landon H.; Shulman, Stanley A.; Anderson, Kevin K.; Wilson, John E.; Pulsipher, Brent A.; Sieber, W. Karl

    2010-09-01

    We present a Bayesian model for acceptance sampling where the population consists of two groups, each with different levels of risk of containing unacceptable items. Expert opinion, or judgment, may be required to distinguish between the high and low-risk groups. Hence, high-risk items are likely to be identifed (and sampled) using expert judgment, while the remaining low-risk items are sampled randomly. We focus on the situation where all observed samples must be acceptable. Consequently, the objective of the statistical inference is to quantify the probability that a large percentage of the unsampled items in the population are also acceptable. We demonstrate that traditional (frequentist) acceptance sampling and simpler Bayesian formulations of the problem are essentially special cases of the proposed model. We explore the properties of the model in detail, and discuss the conditions necessary to ensure that required samples sizes are non-decreasing function of the population size. The method is applicable to a variety of acceptance sampling problems, and, in particular, to environmental sampling where the objective is to demonstrate the safety of reoccupying a remediated facility that has been contaminated with a lethal agent.

  13. Enhanced NIF neutron activation diagnostics

    SciTech Connect

    Yeamans, C. B.; Bleuel, D. L.; Bernstein, L. A.

    2012-10-15

    The NIF neutron activation diagnostic suite relies on removable activation samples, leading to operational inefficiencies and a fundamental lower limit on the half-life of the activated product that can be observed. A neutron diagnostic system measuring activation of permanently installed samples could remove these limitations and significantly enhance overall neutron diagnostic capabilities. The physics and engineering aspects of two proposed systems are considered: one measuring the {sup 89}Zr/{sup 89m}Zr isomer ratio in the existing Zr activation medium and the other using potassium zirconate as the activation medium. Both proposed systems could improve the signal-to-noise ratio of the current system by at least a factor of 5 and would allow independent measurement of fusion core velocity and fuel areal density.

  14. Enhanced NIF neutron activation diagnostics.

    PubMed

    Yeamans, C B; Bleuel, D L; Bernstein, L A

    2012-10-01

    The NIF neutron activation diagnostic suite relies on removable activation samples, leading to operational inefficiencies and a fundamental lower limit on the half-life of the activated product that can be observed. A neutron diagnostic system measuring activation of permanently installed samples could remove these limitations and significantly enhance overall neutron diagnostic capabilities. The physics and engineering aspects of two proposed systems are considered: one measuring the (89)Zr/(89 m)Zr isomer ratio in the existing Zr activation medium and the other using potassium zirconate as the activation medium. Both proposed systems could improve the signal-to-noise ratio of the current system by at least a factor of 5 and would allow independent measurement of fusion core velocity and fuel areal density.

  15. Enhanced NIF neutron activation diagnosticsa)

    NASA Astrophysics Data System (ADS)

    Yeamans, C. B.; Bleuel, D. L.; Bernstein, L. A.

    2012-10-01

    The NIF neutron activation diagnostic suite relies on removable activation samples, leading to operational inefficiencies and a fundamental lower limit on the half-life of the activated product that can be observed. A neutron diagnostic system measuring activation of permanently installed samples could remove these limitations and significantly enhance overall neutron diagnostic capabilities. The physics and engineering aspects of two proposed systems are considered: one measuring the 89Zr/89mZr isomer ratio in the existing Zr activation medium and the other using potassium zirconate as the activation medium. Both proposed systems could improve the signal-to-noise ratio of the current system by at least a factor of 5 and would allow independent measurement of fusion core velocity and fuel areal density.

  16. Strength gradient enhances fatigue resistance of steels

    NASA Astrophysics Data System (ADS)

    Ma, Zhiwei; Liu, Jiabin; Wang, Gang; Wang, Hongtao; Wei, Yujie; Gao, Huajian

    2016-02-01

    Steels are heavily used in infrastructure and the transportation industry, and enhancing their fatigue resistance is a major challenge in materials engineering. In this study, by introducing a gradient microstructure into 304 austenitic steel, which is one of the most widely used types of stainless steel, we show that a strength gradient substantially enhances the fatigue life of the material. Pre-notched samples with negative strength gradients in front of the notch’s tip endure many more fatigue cycles than do samples with positive strength gradients during the crack initiation stage, and samples with either type of gradient perform better than do gradient-free samples with the same average yield strength. However, as a crack grows, samples with positive strength gradients exhibit better resistance to fatigue crack propagation than do samples with negative gradients or no gradient. This study demonstrates a simple and promising strategy for using gradient structures to enhance the fatigue resistance of materials and complements related studies of strength and ductility.

  17. Strength gradient enhances fatigue resistance of steels

    PubMed Central

    Ma, Zhiwei; Liu, Jiabin; Wang, Gang; Wang, Hongtao; Wei, Yujie; Gao, Huajian

    2016-01-01

    Steels are heavily used in infrastructure and the transportation industry, and enhancing their fatigue resistance is a major challenge in materials engineering. In this study, by introducing a gradient microstructure into 304 austenitic steel, which is one of the most widely used types of stainless steel, we show that a strength gradient substantially enhances the fatigue life of the material. Pre-notched samples with negative strength gradients in front of the notch’s tip endure many more fatigue cycles than do samples with positive strength gradients during the crack initiation stage, and samples with either type of gradient perform better than do gradient-free samples with the same average yield strength. However, as a crack grows, samples with positive strength gradients exhibit better resistance to fatigue crack propagation than do samples with negative gradients or no gradient. This study demonstrates a simple and promising strategy for using gradient structures to enhance the fatigue resistance of materials and complements related studies of strength and ductility. PMID:26907708

  18. Image correlation and sampling study

    NASA Technical Reports Server (NTRS)

    Popp, D. J.; Mccormack, D. S.; Sedwick, J. L.

    1972-01-01

    The development of analytical approaches for solving image correlation and image sampling of multispectral data is discussed. Relevant multispectral image statistics which are applicable to image correlation and sampling are identified. The general image statistics include intensity mean, variance, amplitude histogram, power spectral density function, and autocorrelation function. The translation problem associated with digital image registration and the analytical means for comparing commonly used correlation techniques are considered. General expressions for determining the reconstruction error for specific image sampling strategies are developed.

  19. RAPID DETERMINATION OF RADIOSTRONTIUM IN SEAWATER SAMPLES

    SciTech Connect

    Maxwell, S.

    2013-01-16

    A new method for the determination of radiostrontium in seawater samples has been developed at the Savannah River National Laboratory (SRNL) that allows rapid preconcentration and separation of strontium and yttrium isotopes in seawater samples for measurement. The new SRNL method employs a novel and effective pre-concentration step that utilizes a blend of calcium phosphate with iron hydroxide to collect both strontium and yttrium rapidly from the seawater matrix with enhanced chemical yields. The pre-concentration steps, in combination with rapid Sr Resin and DGA Resin cartridge separation options using vacuum box technology, allow seawater samples up to 10 liters to be analyzed. The total {sup 89}Sr + {sup 90}Sr activity may be determined by gas flow proportional counting and recounted after ingrowth of {sup 90}Y to differentiate {sup 89}Sr from {sup 90}Sr. Gas flow proportional counting provides a lower method detection limit than liquid scintillation or Cerenkov counting and allows simultaneous counting of samples. Simultaneous counting allows for longer count times and lower method detection limits without handling very large aliquots of seawater. Seawater samples up to 6 liters may be analyzed using Sr Resin for {sup 89}Sr and {sup 90}Sr with a Minimum Detectable Activity (MDA) of 1-10 mBq/L, depending on count times. Seawater samples up to 10 liters may be analyzed for {sup 90}Sr using a DGA Resin method via collection and purification of {sup 90}Y only. If {sup 89}Sr and other fission products are present, then {sup 91}Y (beta energy 1.55 MeV, 58.5 day half-life) is also likely to be present. {sup 91}Y interferes with attempts to collect {sup 90}Y directly from the seawater sample without initial purification of Sr isotopes first and {sup 90}Y ingrowth. The DGA Resin option can be used to determine {sup 90}Sr, and if {sup 91}Y is also present, an ingrowth option with using DGA Resin again to collect {sup 90}Y can be performed. An MDA for {sup 90}Sr of <1 m

  20. Mars sample return: Site selection and sample acquisition study

    NASA Technical Reports Server (NTRS)

    Nickle, N. (Editor)

    1980-01-01

    Various vehicle and mission options were investigated for the continued exploration of Mars; the cost of a minimum sample return mission was estimated; options and concepts were synthesized into program possibilities; and recommendations for the next Mars mission were made to the Planetary Program office. Specific sites and all relevant spacecraft and ground-based data were studied in order to determine: (1) the adequacy of presently available data for identifying landing sities for a sample return mission that would assure the acquisition of material from the most important geologic provinces of Mars; (2) the degree of surface mobility required to assure sample acquisition for these sites; (3) techniques to be used in the selection and drilling of rock a samples; and (4) the degree of mobility required at the two Viking sites to acquire these samples.

  1. Stacking in a continuous sample flow interface in capillary electrophoresis.

    PubMed

    Gstoettenmayr, Daniel; Quirino, Joselito; Ivory, Cornelius F; Breadmore, Michael

    2015-08-21

    Using a tee connector in a commercial capillary electrophoresis instrument, the effect of field amplified sample injection from both flowing and static sample volumes was investigated. It is shown that under identical conditions (40min electrokinetic injection at 5kV from a sample volume of 295μL) the limit of detection using the continuous sample flow interface is 4 times lower than from a static vial. The relationship between different flow rates and injection voltages on the injected sample amount was also investigated using a 2D axisymmetric simulation (COMSOL 4.3b) and verified experimentally, confirming conditions under which there is near-quantitative injection of the sample target ions. Using electrokinetic injection at 30kV and a flow rate of 558nL/s the same enhancement from an even smaller volume of 184μL could be achieved in 5.5min than could be achieved from 295μL and a 40min injection. This sensitivity enhancement factor corresponded to four orders of magnitude improvement compared to a hydrodynamic injection. This is the first report showing that a continuous sample flow interface combined with stacking methods under conditions approaching quantitative injection from the entire sample volume has the potential to be more sensitive than a static system. PMID:26189205

  2. IWTU Process Sample Analysis Report

    SciTech Connect

    Nick Soelberg

    2013-04-01

    CH2M-WG Idaho (CWI) requested that Battelle Energy Alliance (BEA) analyze various samples collected during June – August 2012 at the Integrated Waste Treatment Facility (IWTU). Samples of IWTU process materials were collected from various locations in the process. None of these samples were radioactive. These samples were collected and analyzed to provide more understanding of the compositions of various materials in the process during the time of the process shutdown that occurred on June 16, 2012, while the IWTU was in the process of nonradioactive startup.

  3. Accurate sampling of PCDD/F in high temperature flue-gas using cooled sampling probes.

    PubMed

    Phan, Duong Ngoc Chau; Weidemann, Eva; Lundin, Lisa; Marklund, Stellan; Jansson, Stina

    2012-08-01

    In a laboratory-scale combustion reactor, flue-gas samples were collected at two temperatures in the post-combustion zone, 700°C and 400°C, using two different water-cooled sampling probes. The probes were the cooled probe described in the European Standard method EN-1948:1, referred to as the original probe, and a modified probe that contained a salt/ice mixture to assist the cooling, referred to as the sub-zero probe. To determine the efficiency of the cooling probes, internal temperature measurements were recorded at 5cm intervals inside the probes. Flue-gas samples were analyzed for polychlorinated dibenzo-p-dioxin and dibenzofurans (PCDD/Fs). Samples collected at 700°C using the original cooling probe showed higher concentrations of PCDD/Fs compared to samples collected using the sub-zero probe. No significant differences were observed between samples collected at 400°C. The results indicated that artifact formation of PCDD/Fs readily occurs during flue-gas sampling at high temperatures if the cooling within the probe is insufficient, as found for the original probe at 700°C. It was also shown that this problem could be alleviated by using probes with an enhanced cooling capacity, such as the sub-zero probe. Although this may not affect samples collected for regulatory purposes in exit gases, it is of great importance for research conducted in the high-temperature region of the post-combustion zone.

  4. Smart Image Enhancement Process

    NASA Technical Reports Server (NTRS)

    Jobson, Daniel J. (Inventor); Rahman, Zia-ur (Inventor); Woodell, Glenn A. (Inventor)

    2012-01-01

    Contrast and lightness measures are used to first classify the image as being one of non-turbid and turbid. If turbid, the original image is enhanced to generate a first enhanced image. If non-turbid, the original image is classified in terms of a merged contrast/lightness score based on the contrast and lightness measures. The non-turbid image is enhanced to generate a second enhanced image when a poor contrast/lightness score is associated therewith. When the second enhanced image has a poor contrast/lightness score associated therewith, this image is enhanced to generate a third enhanced image. A sharpness measure is computed for one image that is selected from (i) the non-turbid image, (ii) the first enhanced image, (iii) the second enhanced image when a good contrast/lightness score is associated therewith, and (iv) the third enhanced image. If the selected image is not-sharp, it is sharpened to generate a sharpened image. The final image is selected from the selected image and the sharpened image.

  5. The alteration of icy samples during sample acquisition

    NASA Astrophysics Data System (ADS)

    Mungas, G.; Bearman, G.; Beegle, L. W.; Hecht, M.; Peters, G. H.; Glucoft, J.; Strothers, K.

    2006-12-01

    Valid in situ scientific studies require both that samples be analyzed in as pristine condition as possible and that any modification from the pristine to the sampled state be well understood. While samples with low to high ice concentration are critical for the study of astrobiology and geology, they pose problems with respect to the sample acquisition, preparation and distribution systems (SPAD) upon which the analytical instruments depend. Most significant of the processes that occur during SPAD is sublimation or melting caused by thermal loading from drilling, coring, etc. as well as exposure to a dry low pressure ambient environment. These processes can alter the sample, as well as generating, meta-stable liquid water that can refreeze in the sample transfer mechanisms, interfering with proper operation and creating cross-contamination. We have investigated and quantified loss of volatiles such as H2O, CO, CO2, and organics contained within icy and powdered samples when acquired, processed and transferred. During development of the MSL rock crusher, for example, ice was observed to pressure-fuse and stick to the side even at -70C. We have investigated sublimation from sample acquisition at Martian temperature and pressure for a samples ranging from 10 to 100 water/dirt ratios. Using the RASP that will be on Phoenix, we have measured sublimation of ice during excavation at Martian pressure and find that the sublimation losses can range from 10 to 50 percent water. It is the thermal conductivity of the soil that determines local heat transport, and how much of the sample acquisition energy is wicked away into the soil and how much goes into the sample. Modeling of sample acquisition methods requires measurement of these parameters. There is a two phase model for thermal conductivity as a function of dirt/ice ratio but it needed to be validated. We used an ASTM method for measuring thermal conductivity and implemented it in the laboratory. The major conclusion is

  6. Environmental surveillance master sampling schedule

    SciTech Connect

    Bisping, L.E.

    1995-02-01

    Environmental surveillance of the Hanford Site and surrounding areas is conducted by the Pacific Northwest Laboratory (PNL) for the U.S. Department of Energy (DOE). This document contains the planned 1994 schedules for routine collection of samples for the Surface Environmental Surveillance Project (SESP), Drinking Water Project, and Ground-Water Surveillance Project. Samples are routinely collected for the SESP and analyzed to determine the quality of air, surface water, soil, sediment, wildlife, vegetation, foodstuffs, and farm products at Hanford Site and surrounding communities. The responsibility for monitoring onsite drinking water falls outside the scope of the SESP. PNL conducts the drinking water monitoring project concurrent with the SESP to promote efficiency and consistency, utilize expertise developed over the years, and reduce costs associated with management, procedure development, data management, quality control, and reporting. The ground-water sampling schedule identifies ground-water sampling .events used by PNL for environmental surveillance of the Hanford Site. Sampling is indicated as annual, semi-annual, quarterly, or monthly in the sampling schedule. Some samples are collected and analyzed as part of ground-water monitoring and characterization programs at Hanford (e.g. Resources Conservation and Recovery Act (RCRA), Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA), or Operational). The number of samples planned by other programs are identified in the sampling schedule by a number in the analysis column and a project designation in the Cosample column. Well sampling events may be merged to avoid redundancy in cases where sampling is planned by both-environmental surveillance and another program.

  7. Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

    PubMed

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems. PMID:27078486

  8. Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

    PubMed

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  9. Equilibrium sampling by reweighting nonequilibrium simulation trajectories

    NASA Astrophysics Data System (ADS)

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  10. Mars Sample Return from Meridiani Planum

    NASA Technical Reports Server (NTRS)

    Mittlefehldt, David W.

    2008-01-01

    The NASA Mars Exploration Program has four main goals: (i) determine if life ever arose there, (ii) understand the processes and history of its climate, (iii) determine the evolution of its surface and interior, and (iv) prepare for human exploration of Mars. These goals are embodied in the NASA Mars exploration strategy Follow the Water. Current Mars exploration tactics for lander missions build on knowledge gained by prior orbital investigations; the science rationale for choosing landing sites is based on the current best interpretation of the geology. A future Mars sample return mission will greatly exceed in cost typical lander missions because of the need to design for return to Earth and the infrastructure needed on Earth to curate and process the samples safely and cleanly. Because of this added cost burden, expectations for science return are higher. There must be some prospect that the returned samples will allow for testing higher level hypotheses relevant to NASA's goals. Site selection must be based on knowledge gained from prior in situ measurements to enhance the prospects for successfully meeting these goals. I will argue that Meridiani Planum should be that site.

  11. Bioaerosol sampling: sampling mechanisms, bioefficiency and field studies.

    PubMed

    Haig, C W; Mackay, W G; Walker, J T; Williams, C

    2016-07-01

    Investigations into the suspected airborne transmission of pathogens in healthcare environments have posed a challenge to researchers for more than a century. With each pathogen demonstrating a unique response to environmental conditions and the mechanical stresses it experiences, the choice of sampling device is not obvious. Our aim was to review bioaerosol sampling, sampling equipment, and methodology. A comprehensive literature search was performed, using electronic databases to retrieve English language papers on bioaerosol sampling. The review describes the mechanisms of popular bioaerosol sampling devices such as impingers, cyclones, impactors, and filters, explaining both their strengths and weaknesses, and the consequences for microbial bioefficiency. Numerous successful studies are described that point to best practice in bioaerosol sampling, from the use of small personal samplers to monitor workers' pathogen exposure through to large static samplers collecting airborne microbes in various healthcare settings. Of primary importance is the requirement that studies should commence by determining the bioefficiency of the chosen sampler and the pathogen under investigation within laboratory conditions. From such foundations, sampling for bioaerosol material in the complexity of the field holds greater certainty of successful capture of low-concentration airborne pathogens. From the laboratory to use in the field, this review enables the investigator to make informed decisions about the choice of bioaerosol sampler and its application.

  12. Bioaerosol sampling: sampling mechanisms, bioefficiency and field studies.

    PubMed

    Haig, C W; Mackay, W G; Walker, J T; Williams, C

    2016-07-01

    Investigations into the suspected airborne transmission of pathogens in healthcare environments have posed a challenge to researchers for more than a century. With each pathogen demonstrating a unique response to environmental conditions and the mechanical stresses it experiences, the choice of sampling device is not obvious. Our aim was to review bioaerosol sampling, sampling equipment, and methodology. A comprehensive literature search was performed, using electronic databases to retrieve English language papers on bioaerosol sampling. The review describes the mechanisms of popular bioaerosol sampling devices such as impingers, cyclones, impactors, and filters, explaining both their strengths and weaknesses, and the consequences for microbial bioefficiency. Numerous successful studies are described that point to best practice in bioaerosol sampling, from the use of small personal samplers to monitor workers' pathogen exposure through to large static samplers collecting airborne microbes in various healthcare settings. Of primary importance is the requirement that studies should commence by determining the bioefficiency of the chosen sampler and the pathogen under investigation within laboratory conditions. From such foundations, sampling for bioaerosol material in the complexity of the field holds greater certainty of successful capture of low-concentration airborne pathogens. From the laboratory to use in the field, this review enables the investigator to make informed decisions about the choice of bioaerosol sampler and its application. PMID:27112048

  13. Rock Sample Destruction Limits for the Mars Sample Return Mission

    NASA Astrophysics Data System (ADS)

    Weiss, D. K.; Budney, C. J.; Shiraishi, L.; Klein, K.; Gilbert, J.

    2012-12-01

    Sample return missions, including the proposed Mars Sample Return (MSR) mission, propose to collect core samples from scientifically valuable sites on Mars. These core samples would undergo extreme forces during the drilling process, and during the reentry process if the Earth Entry Vehicle (EEV) performs a hard landing on Earth. Because of the foreseen damage to the cores, it is important to evaluate each core for rock quality. However, because no planetary core sample return mission has yet been conducted, it remains unclear as to how to assess the cores for rock quality. In this report, we describe the development of a metric designed to quantitatively assess the quality of the rock cores returned from MSR. We report on the process by which we tested the metric on core samples of Mars analogue materials, and the effectiveness of the core assessment metric (CAM) in assessing rock core quality before and after the cores were subjected to shocking (g forces representative of an EEV landing). Mars-analogue Basalt rock core. Cores like this one are being used to develop a metric with which to assess rock quality before and after shock-testing. The sample canister that houses the cores during shock-testing. SolidWorks design by James Gilbert.

  14. State-Variable Representations For Moving-Average Sampling

    NASA Technical Reports Server (NTRS)

    Polites, Michael E.

    1991-01-01

    Two state-variable representations derived for continuous-time plant driven by control algorithm including zero-order hold and measurements sampled at mutliple rates by multiple-input/multiple-output moving-average processes. New representations enhance observability and controllability of plant. Applications include mathematical modeling of navigation systems including star trackers, gyroscopes, and accelerometers.

  15. Treat Medication Samples with Respect

    MedlinePlus

    ... can be expected. If you receive an antibiotic sample, you may need to add water to make a liquid suspension. This should be ... very carefully, as adding the improper amount of water will result in a ... expiration date on the package, as samples may be stored for long periods of time ...

  16. Learning to Reason from Samples

    ERIC Educational Resources Information Center

    Ben-Zvi, Dani; Bakker, Arthur; Makar, Katie

    2015-01-01

    The goal of this article is to introduce the topic of "learning to reason from samples," which is the focus of this special issue of "Educational Studies in Mathematics" on "statistical reasoning." Samples are data sets, taken from some wider universe (e.g., a population or a process) using a particular procedure…

  17. FIELD SAMPLING PROTOCOLS AND ANALYSIS

    EPA Science Inventory

    I have been asked to speak again to the environmental science class regarding actual research scenarios related to my work at Kerr Lab. I plan to discuss sampling protocols along with various field analyses performed during sampling activities. Many of the students have never see...

  18. Standard Deviation for Small Samples

    ERIC Educational Resources Information Center

    Joarder, Anwar H.; Latif, Raja M.

    2006-01-01

    Neater representations for variance are given for small sample sizes, especially for 3 and 4. With these representations, variance can be calculated without a calculator if sample sizes are small and observations are integers, and an upper bound for the standard deviation is immediate. Accessible proofs of lower and upper bounds are presented for…

  19. Simulated Sampling of Estuary Plankton

    ERIC Educational Resources Information Center

    Fortner, Rosanne W.; Jenkins, Deborah Bainer

    2009-01-01

    To find out about the microscopic life in the valuable estuary environment, it is usually necessary to be near the water. This dry lab offers an alternative, using authentic data and a simulation of plankton sampling. From the types of organisms found in the sample, middle school students can infer relationships in the biological and physical…

  20. Adaptive Peer Sampling with Newscast

    NASA Astrophysics Data System (ADS)

    Tölgyesi, Norbert; Jelasity, Márk

    The peer sampling service is a middleware service that provides random samples from a large decentralized network to support gossip-based applications such as multicast, data aggregation and overlay topology management. Lightweight gossip-based implementations of the peer sampling service have been shown to provide good quality random sampling while also being extremely robust to many failure scenarios, including node churn and catastrophic failure. We identify two problems with these approaches. The first problem is related to message drop failures: if a node experiences a higher-than-average message drop rate then the probability of sampling this node in the network will decrease. The second problem is that the application layer at different nodes might request random samples at very different rates which can result in very poor random sampling especially at nodes with high request rates. We propose solutions for both problems. We focus on Newscast, a robust implementation of the peer sampling service. Our solution is based on simple extensions of the protocol and an adaptive self-control mechanism for its parameters, namely—without involving failure detectors—nodes passively monitor local protocol events using them as feedback for a local control loop for self-tuning the protocol parameters. The proposed solution is evaluated by simulation experiments.

  1. Gamma spectroscopy of environmental samples

    NASA Astrophysics Data System (ADS)

    Siegel, P. B.

    2013-05-01

    We describe experiments for the undergraduate laboratory that use a high-resolution gamma detector to measure radiation in environmental samples. The experiments are designed to instruct the students in the quantitative analysis of gamma spectra and secular equilibrium. Experiments include the radioactive dating of Brazil nuts, determining radioisotope concentrations in natural samples, and measurement of the 235U abundance in uranium rich rocks.

  2. A Demonstration of Sample Segregation

    ERIC Educational Resources Information Center

    Fritz, Mark D.; Brumbach, Stephen B.; Hartman, JudithAnn R.

    2005-01-01

    The demonstration of sample segregation, which is simple, and visually compelling illustrates the importance of sample handling for students studying analytical chemistry and environmental chemistry. The mixture used in this demonstration has two components, which have big particle size, and different colors, which makes the segregation graphic.

  3. Suboptimization of developmental enhancers.

    PubMed

    Farley, Emma K; Olson, Katrina M; Zhang, Wei; Brandt, Alexander J; Rokhsar, Daniel S; Levine, Michael S

    2015-10-16

    Transcriptional enhancers direct precise on-off patterns of gene expression during development. To explore the basis for this precision, we conducted a high-throughput analysis of the Otx-a enhancer, which mediates expression in the neural plate of Ciona embryos in response to fibroblast growth factor (FGF) signaling and a localized GATA determinant. We provide evidence that enhancer specificity depends on submaximal recognition motifs having reduced binding affinities ("suboptimization"). Native GATA and ETS (FGF) binding sites contain imperfect matches to consensus motifs. Perfect matches mediate robust but ectopic patterns of gene expression. The native sites are not arranged at optimal intervals, and subtle changes in their spacing alter enhancer activity. Multiple tiers of enhancer suboptimization produce specific, but weak, patterns of expression, and we suggest that clusters of weak enhancers, including certain "superenhancers," circumvent this trade-off in specificity and activity. PMID:26472909

  4. Instructor Touch Enhanced College Students' Evaluations

    ERIC Educational Resources Information Center

    Legg, Angela M.; Wilson, Janie H.

    2013-01-01

    Touch between people is associated with several outcomes, including reduced stress, more positive mood, enhanced feelings of closeness, and positive behavioral change. However, the potential utility of touch rarely has been examined in a college sample, with teachers touching their students. In the present study, we used instrumental touch…

  5. Using Children's Books to Enhance Career Awareness.

    ERIC Educational Resources Information Center

    Dianna, Michael A.

    This paper discusses the value of using children's books to enhance career education and presents sample learning activities for use in presenting career education concepts through children's literature. Career education for first and second graders, which focuses on teaching about jobs, work, the self, and life, is discussed first. Eleven ways in…

  6. Sample push-out fixture

    DOEpatents

    Biernat, John L.

    2002-11-05

    This invention generally relates to the remote removal of pelletized samples from cylindrical containment capsules. V-blocks are used to receive the samples and provide guidance to push out rods. Stainless steel liners fit into the v-channels on the v-blocks which permits them to be remotely removed and replaced or cleaned to prevent cross contamination between capsules and samples. A capsule holder securely holds the capsule while allowing manual up/down and in/out movement to align each sample hole with the v-blocks. Both end sections contain identical v-blocks; one that guides the drive out screw and rods or manual push out rods and the other to receive the samples as they are driven out of the capsule.

  7. Variable density compressed image sampling.

    PubMed

    Wang, Zhongmin; Arce, Gonzalo R

    2010-01-01

    Compressed sensing (CS) provides an efficient way to acquire and reconstruct natural images from a limited number of linear projection measurements leading to sub-Nyquist sampling rates. A key to the success of CS is the design of the measurement ensemble. This correspondence focuses on the design of a novel variable density sampling strategy, where the a priori information of the statistical distributions that natural images exhibit in the wavelet domain is exploited. The proposed variable density sampling has the following advantages: 1) the generation of the measurement ensemble is computationally efficient and requires less memory; 2) the necessary number of measurements for image reconstruction is reduced; 3) the proposed sampling method can be applied to several transform domains and leads to simple implementations. Extensive simulations show the effectiveness of the proposed sampling method.

  8. High-Grading Lunar Samples

    NASA Technical Reports Server (NTRS)

    Allen, Carlton; Sellar, Glenn; Nunez, Jorge; Mosie, Andrea; Schwarz, Carol; Parker, Terry; Winterhalter, Daniel; Farmer, Jack

    2009-01-01

    Astronauts on long-duration lunar missions will need the capability to high-grade their samples to select the highest value samples for transport to Earth and to leave others on the Moon. We are supporting studies to define the necessary and sufficient measurements and techniques for high-grading samples at a lunar outpost. A glovebox, dedicated to testing instruments and techniques for high-grading samples, is in operation at the JSC Lunar Experiment Laboratory. A reference suite of lunar rocks and soils, spanning the full compositional range found in the Apollo collection, is available for testing in this laboratory. Thin sections of these samples are available for direct comparison. The Lunar Sample Compendium, on-line at http://www-curator.jsc.nasa.gov/lunar/compendium.cfm, summarizes previous analyses of these samples. The laboratory, sample suite, and Compendium are available to the lunar research and exploration community. In the first test of possible instruments for lunar sample high-grading, we imaged 18 lunar rocks and four soils from the reference suite using the Multispectral Microscopic Imager (MMI) developed by Arizona State University and JPL (see Farmer et. al. abstract). The MMI is a fixed-focus digital imaging system with a resolution of 62.5 microns/pixel, a field size of 40 x 32 mm, and a depth-of-field of approximately 5 mm. Samples are illuminated sequentially by 21 light emitting diodes in discrete wavelengths spanning the visible to shortwave infrared. Measurements of reflectance standards and background allow calibration to absolute reflectance. ENVI-based software is used to produce spectra for specific minerals as well as multi-spectral images of rock textures.

  9. Cavity-Enhanced Ultrafast Spectroscopy

    NASA Astrophysics Data System (ADS)

    Allison, Thomas

    2016-05-01

    Ultrafast optical spectroscopy methods, such as transient absorption spectroscopy and 2D-spectroscopy, are widely used across many disciplines. However, these techniques are typically restricted to optically thick samples, such as solids and liquid solutions. Using a frequency comb laser and optical cavities, we present a new technique for performing ultrafast optical spectroscopy with high sensitivity, enabling work in dilute gas-phase molecular beams. Resonantly enhancing the probe pulses, we demonstrate transient absorption measurements with a detection limit of ΔOD = 2 ×10-10 (1 ×10-9 /√{Hz}). Resonantly enhancing the pump pulses allows us to produce a high excitation fraction at high repetition-rate, so that signals can be recorded from samples with optical densities as low as OD 10-8 , or column densities < 1010 molecules/ cm2. To our knowledge, this represents a 5,000-fold improvement of the state-of-the-art. This work was supported by the National Science Foundation under Grant Number 1404296.

  10. Credit Enhancement Overview Guide

    SciTech Connect

    Financing Solutions Working Group

    2014-01-01

    Provides considerations for state and local policymakers and energy efficiency program administrators designing and implementing successful credit enhancement strategies for residential and commercial buildings.

  11. Sampling Theorem in Terms of the Bandwidth and Sampling Interval

    NASA Technical Reports Server (NTRS)

    Dean, Bruce H.

    2011-01-01

    An approach has been developed for interpolating non-uniformly sampled data, with applications in signal and image reconstruction. This innovation generalizes the Whittaker-Shannon sampling theorem by emphasizing two assumptions explicitly (definition of a band-limited function and construction by periodic extension). The Whittaker- Shannon sampling theorem is thus expressed in terms of two fundamental length scales that are derived from these assumptions. The result is more general than what is usually reported, and contains the Whittaker- Shannon form as a special case corresponding to Nyquist-sampled data. The approach also shows that the preferred basis set for interpolation is found by varying the frequency component of the basis functions in an optimal way.

  12. BACTERIOLOGICAL ANALYSIS WITH SAMPLING AND SAMPLE PRESERVATION SPECIFICS

    EPA Science Inventory

    Current federal regulations (40CFR 503) specify that under certain conditions treated municipal biosolids must be analyzed for fecal coliform or salmonellae. The regulations state that representative samples of biosolids must be collected and analyzed using standard methods. Th...

  13. Sampling of illicit drugs for quantitative analysis--part III: sampling plans and sample preparations.

    PubMed

    Csesztregi, T; Bovens, M; Dujourdy, L; Franc, A; Nagy, J

    2014-08-01

    The findings in this paper are based on the results of our drug homogeneity studies and particle size investigations. Using that information, a general sampling plan (depicted in the form of a flow-chart) was devised that could be applied to the quantitative instrumental analysis of the most common illicit drugs: namely heroin, cocaine, amphetamine, cannabis resin, MDMA tablets and herbal cannabis in 'bud' form (type I). Other more heterogeneous forms of cannabis (type II) were found to require alternative, more traditional sampling methods. A table was constructed which shows the sampling uncertainty expected when a particular number of random increments are taken and combined to form a single primary sample. It also includes a recommended increment size; which is 1 g for powdered drugs and cannabis resin, 1 tablet for MDMA and 1 bud for herbal cannabis in bud form (type I). By referring to that table, individual laboratories can ensure that the sampling uncertainty for a particular drug seizure can be minimised, such that it lies in the same region as their analytical uncertainty for that drug. The table shows that assuming a laboratory wishes to quantitatively analyse a seizure of powdered drug or cannabis resin with a 'typical' heterogeneity, a primary sample of 15×1 g increments is generally appropriate. The appropriate primary sample for MDMA tablets is 20 tablets, while for herbal cannabis (in bud form) 50 buds were found to be appropriate. Our study also showed that, for a suitably homogenised primary sample of the most common powdered drugs, an analytical sample size of between 20 and 35 mg was appropriate and for herbal cannabis the appropriate amount was 200 mg. The need to ensure that the results from duplicate or multiple incremental sampling were compared, to demonstrate whether or not a particular seized material has a 'typical' heterogeneity and that the sampling procedure applied has resulted in a 'correct sample', was highlighted and the setting

  14. Sampling of illicit drugs for quantitative analysis--part III: sampling plans and sample preparations.

    PubMed

    Csesztregi, T; Bovens, M; Dujourdy, L; Franc, A; Nagy, J

    2014-08-01

    The findings in this paper are based on the results of our drug homogeneity studies and particle size investigations. Using that information, a general sampling plan (depicted in the form of a flow-chart) was devised that could be applied to the quantitative instrumental analysis of the most common illicit drugs: namely heroin, cocaine, amphetamine, cannabis resin, MDMA tablets and herbal cannabis in 'bud' form (type I). Other more heterogeneous forms of cannabis (type II) were found to require alternative, more traditional sampling methods. A table was constructed which shows the sampling uncertainty expected when a particular number of random increments are taken and combined to form a single primary sample. It also includes a recommended increment size; which is 1 g for powdered drugs and cannabis resin, 1 tablet for MDMA and 1 bud for herbal cannabis in bud form (type I). By referring to that table, individual laboratories can ensure that the sampling uncertainty for a particular drug seizure can be minimised, such that it lies in the same region as their analytical uncertainty for that drug. The table shows that assuming a laboratory wishes to quantitatively analyse a seizure of powdered drug or cannabis resin with a 'typical' heterogeneity, a primary sample of 15×1 g increments is generally appropriate. The appropriate primary sample for MDMA tablets is 20 tablets, while for herbal cannabis (in bud form) 50 buds were found to be appropriate. Our study also showed that, for a suitably homogenised primary sample of the most common powdered drugs, an analytical sample size of between 20 and 35 mg was appropriate and for herbal cannabis the appropriate amount was 200 mg. The need to ensure that the results from duplicate or multiple incremental sampling were compared, to demonstrate whether or not a particular seized material has a 'typical' heterogeneity and that the sampling procedure applied has resulted in a 'correct sample', was highlighted and the setting

  15. Dried saliva spot as a sampling technique for saliva samples.

    PubMed

    Abdel-Rehim, Abbi; Abdel-Rehim, Mohamed

    2014-06-01

    For the first time, dried saliva spot (DSS) was used as a sampling technique for saliva samples. In the DSS technique 50 μL of saliva was collected on filter paper and the saliva was then extracted with an organic solvent. The local anesthetic lidocaine was used as a model compound, which was determined in the DSS using liquid chromatography and mass spectrometry. The results obtained for the determination of lidocaine in saliva using DSS were compared with those from a previous study using a microextraction by packed sorbent syringe as the sampling method for saliva. This study shows that DSS can be used for the analysis of saliva samples. The method is promising and very easy in terms of sampling and extraction procedures. The results from this study are in good agreement with those from our previous work on the determination of lidocaine in saliva. DSS can open a new dimension in the saliva handling process in terms of sampling, storing and transport.

  16. Duplex sampling apparatus and method

    DOEpatents

    Brown, Paul E.; Lloyd, Robert

    1992-01-01

    An improved apparatus is provided for sampling a gaseous mixture and for measuring mixture components. The apparatus includes two sampling containers connected in series serving as a duplex sampling apparatus. The apparatus is adapted to independently determine the amounts of condensable and noncondensable gases in admixture from a single sample. More specifically, a first container includes a first port capable of selectively connecting to and disconnecting from a sample source and a second port capable of selectively connecting to and disconnecting from a second container. A second container also includes a first port capable of selectively connecting to and disconnecting from the second port of the first container and a second port capable of either selectively connecting to and disconnecting from a differential pressure source. By cooling a mixture sample in the first container, the condensable vapors form a liquid, leaving noncondensable gases either as free gases or dissolved in the liquid. The condensed liquid is heated to drive out dissolved noncondensable gases, and all the noncondensable gases are transferred to the second container. Then the first and second containers are separated from one another in order to separately determine the amount of noncondensable gases and the amount of condensable gases in the sample.

  17. Environmental surveillance master sampling schedule

    SciTech Connect

    Bisping, L.E.

    1991-01-01

    Environmental surveillance of the Hanford Site and surrounding areas is conducted by the Pacific Northwest Laboratory (PNL) for the US Department of Energy (DOE). This document contains the planned schedule for routine sample collection for the Surface Environmental Surveillance Project (SESP) and Ground-Water Monitoring Project. The routine sampling plan for the SESP has been revised this year to reflect changing site operations and priorities. Some sampling previously performed at least annually has been reduced in frequency, and some new sampling to be performed at a less than annual frequency has been added. Therefore, the SESP schedule reflects sampling to be conducted in calendar year 1991 as well as future years. The ground-water sampling schedule is for 1991. This schedule is subject to modification during the year in response to changes in Site operation, program requirements, and the nature of the observed results. Operational limitations such as weather, mechanical failures, sample availability, etc., may also require schedule modifications. Changes will be documented in the respective project files, but this plan will not be reissued. The purpose of these monitoring projects is to evaluate levels of radioactive and nonradioactive pollutants in the Hanford evirons.

  18. Application of parabolic reflector on Raman analysis of gas samples

    NASA Astrophysics Data System (ADS)

    Yu, Anlan; Zuo, Duluo; Gao, Jun; Li, Bin; Wang, Xingbing

    2016-05-01

    Studies on the application of a parabolic reflector in spontaneous Raman scattering for low background Raman analysis of gas samples are reported. As an effective signal enhancing sample cell, photonic bandgap fiber (HC-PBF) or metallined capillary normally result in a strong continuous background in spectra caused by the strong Raman/fluorescence signal from the silica wall and the polymer protective film. In order to obtain enhanced signal with low background, a specially designed sample cell with double-pass and large collecting solid angle constructed by a parabolic reflector and a planar reflector was applied, of which the optical surfaces had been processed by diamond turning and coated by silver film and protective film of high-purity alumina. The influences of optical structure, polarization characteristic, collecting solid-angle and collecting efficiency of the sample cell on light propagation and signal enhancement were studied. A Raman spectrum of ambient air with signal to background ratio of 94 was acquired with an exposure time of 1 sec by an imaging spectrograph. Besides, the 3σ limits of detection (LOD) of 7 ppm for H2, 8 ppm for CO2 and 12 ppm for CO were also obtained. The sample cell mainly based on parabolic reflector will be helpful for compact and high-sensitive Raman system.

  19. Contactless Calorimetry for Levitated Samples

    NASA Technical Reports Server (NTRS)

    Lee, M. C.; Dokko, W.

    1986-01-01

    Temperature and specific heat of hot sample measured with pyrometer in proposed experimental technique. Technique intended expecially for contactless calorimetry of such materials as undercooled molten alloys, samples of which must be levitated to prevent contamination and premature crystallization. Contactless calorimetry technique enables data to be taken over entire undercooling temperature range with only one sample. Technique proves valuable in study of undercooling because difference in specific heat between undercooled-liquid and crystalline phases at same temperature provides driving force to convert metastable undercooled phase to stable crystalline phase.

  20. Steady-state simulations using weighted ensemble path sampling.

    PubMed

    Bhatt, Divesh; Zhang, Bin W; Zuckerman, Daniel M

    2010-07-01

    We extend the weighted ensemble (WE) path sampling method to perform rigorous statistical sampling for systems at steady state. A straightforward steady-state implementation of WE is directly practical for simple landscapes, but not when significant metastable intermediates states are present. We therefore develop an enhanced WE scheme, building on existing ideas, which accelerates attainment of steady state in complex systems. We apply both WE approaches to several model systems, confirming their correctness and efficiency by comparison with brute-force results. The enhanced version is significantly faster than the brute force and straightforward WE for systems with WE bins that accurately reflect the reaction coordinate(s). The new WE methods can also be applied to equilibrium sampling, since equilibrium is a steady state.

  1. Defining And Characterizing Sample Representativeness For DWPF Melter Feed Samples

    SciTech Connect

    Shine, E. P.; Poirier, M. R.

    2013-10-29

    Representative sampling is important throughout the Defense Waste Processing Facility (DWPF) process, and the demonstrated success of the DWPF process to achieve glass product quality over the past two decades is a direct result of the quality of information obtained from the process. The objective of this report was to present sampling methods that the Savannah River Site (SRS) used to qualify waste being dispositioned at the DWPF. The goal was to emphasize the methodology, not a list of outcomes from those studies. This methodology includes proven methods for taking representative samples, the use of controlled analytical methods, and data interpretation and reporting that considers the uncertainty of all error sources. Numerous sampling studies were conducted during the development of the DWPF process and still continue to be performed in order to evaluate options for process improvement. Study designs were based on use of statistical tools applicable to the determination of uncertainties associated with the data needs. Successful designs are apt to be repeated, so this report chose only to include prototypic case studies that typify the characteristics of frequently used designs. Case studies have been presented for studying in-tank homogeneity, evaluating the suitability of sampler systems, determining factors that affect mixing and sampling, comparing the final waste glass product chemical composition and durability to that of the glass pour stream sample and other samples from process vessels, and assessing the uniformity of the chemical composition in the waste glass product. Many of these studies efficiently addressed more than one of these areas of concern associated with demonstrating sample representativeness and provide examples of statistical tools in use for DWPF. The time when many of these designs were implemented was in an age when the sampling ideas of Pierre Gy were not as widespread as they are today. Nonetheless, the engineers and

  2. Snow White Trench Prepared for Sample Collection

    NASA Technical Reports Server (NTRS)

    2008-01-01

    The informally named 'Snow White' trench is the source for the next sample to be acquired by NASA's Phoenix Mars Lander for analysis by the wet chemistry lab.

    The Surface Stereo Imager on Phoenix took this shadow-enhanced image of the trench, on the eastern end of Phoenix's work area, on Sol 103, or the 103rd day of the mission, Sept. 8, 2008. The trench is about 23 centimeters (9 inches) wide.

    The wet chemistry lab is part of Phoenix's Microscopy, Electrochemistry and Conductivity suite of instruments.

    The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.

  3. Enhancing Metagenomics Investigations of Microbial Interactions with Biofilm Technology

    PubMed Central

    McLean, Robert J. C.; Kakirde, Kavita S.

    2013-01-01

    Investigations of microbial ecology and diversity have been greatly enhanced by the application of culture-independent techniques. One such approach, metagenomics, involves sample collections from soil, water, and other environments. Extracted nucleic acids from bulk environmental samples are sequenced and analyzed, which allows microbial interactions to be inferred on the basis of bioinformatics calculations. In most environments, microbial interactions occur predominately in surface-adherent, biofilm communities. In this review, we address metagenomics sampling and biofilm biology, and propose an experimental strategy whereby the resolving power of metagenomics can be enhanced by incorporating a biofilm-enrichment step during sample acquisition. PMID:24284397

  4. Enhancing metagenomics investigations of microbial interactions with biofilm technology.

    PubMed

    McLean, Robert J C; Kakirde, Kavita S

    2013-11-11

    Investigations of microbial ecology and diversity have been greatly enhanced by the application of culture-independent techniques. One such approach, metagenomics, involves sample collections from soil, water, and other environments. Extracted nucleic acids from bulk environmental samples are sequenced and analyzed, which allows microbial interactions to be inferred on the basis of bioinformatics calculations. In most environments, microbial interactions occur predominately in surface-adherent, biofilm communities. In this review, we address metagenomics sampling and biofilm biology, and propose an experimental strategy whereby the resolving power of metagenomics can be enhanced by incorporating a biofilm-enrichment step during sample acquisition.

  5. Enhancing Drug Court Success

    ERIC Educational Resources Information Center

    Deschenes, Elizabeth Piper; Ireland, Connie; Kleinpeter, Christine B.

    2009-01-01

    This study evaluates the impact of enhanced drug court services in a large county in Southern California. These enhanced services, including specialty counseling groups, educational/employment resources, and increased Residential Treatment (RT) beds, were designed to increase program retention and successful completion (graduation) of drug court.…

  6. Enhanced oil recovery update

    SciTech Connect

    Smith, R.V

    1989-03-01

    Technology continues to grow in the realm of enhanced oil recovery. Since 1950 several processes have proven economic for oil recovery. Others are still in their infancy and must be custom designed for each reservoir. This paper gives a general overview of these processes. The author focuses on the latest technology and the outlook for enhanced oil recovery operations.

  7. Enhancing Individual Readiness.

    ERIC Educational Resources Information Center

    1997

    This document contains three papers from a symposium on enhancing individual readiness through human resource development (HRD). "Secondary School Administrator's Perception of Enhancing Self-Worth through Service" (Thomas Li-Ping Tang, Emily James Weatherford) presents results of a study to examine secondary school administrators' endorsement of…

  8. Electrostatic precipitator efficiency enhancement

    SciTech Connect

    Polizzotti, D.M.; Steelhammer, J.C.

    1983-05-24

    Method for enhancing the removal of particles from a particleladen gas stream utilizing an electrostatic precipitator, which comprises treating the gas with morpholine or derivatives thereof. Treated particles are found to also have desirable flow characteristics. Particularly effective compositions for the purpose comprise a combination of the morpholine, or derivative thereof, with an electrostatic precipitator efficiency enhancer, and in particular an alkanolamine.

  9. Mossbauer spectroscopy of moon samples.

    PubMed

    Muir, A H; Housley, R M; Grant, R W; Abdel-Gawad, M; Blander, M

    1970-01-30

    Lunar bulk sample 10084,85 (< 1 mm size dust), and samples from rocks 10017,17 (fine grained, vesicular), 10046,17 (breccia), 10057,59 (fine grained, vesicular, top surface), 10057,60 (fine grained, vesicular, interior), and 10058,24 (medium grained, not vesicular) have been investigated by (57)Fe Mössbauer spectroscopy. Iron metal and the Fe(2+) minerals ilmenite, pyroxene, troilite, and iron containing glass have been identified. An iron line of sample 10084,85 (originally sealed in nitrogen) showed no significant intensity change when the sample was exposed to air. The antiferromagnetic transition in several lunar ilmenites at 57(0) +/- 2 degrees K corresponds to stoichiometric FeTiO,. Magneticallv separated 10057 showed troilite and somne metallic iron.

  10. Air Sampling System Evaluation Template

    2000-05-09

    The ASSET1.0 software provides a template with which a user can evaluate an Air Sampling System against the latest version of ANSI N13.1 "Sampling and Monitoring Releases of Airborne Radioactive Substances from the Stacks and Ducts of Nuclear Facilities". The software uses the ANSI N13.1 PIC levels to establish basic design criteria for the existing or proposed sampling system. The software looks at such criteria as PIC level, type of radionuclide emissions, physical state ofmore » the radionuclide, nozzle entrance effects, particulate transmission effects, system and component accuracy and precision evaluations, and basic system operations to provide a detailed look at the subsystems of a monitoring and sampling system/program. A GAP evaluation can then be completed which leads to identification of design and operational flaws in the proposed systems. Corrective measures can then be limited to the GAPs.« less

  11. Proposal for Microwave Boson Sampling

    NASA Astrophysics Data System (ADS)

    Peropadre, Borja; Guerreschi, Gian Giacomo; Huh, Joonsuk; Aspuru-Guzik, Alán

    2016-09-01

    Boson sampling, the task of sampling the probability distribution of photons at the output of a photonic network, is believed to be hard for any classical device. Unlike other models of quantum computation that require thousands of qubits to outperform classical computers, boson sampling requires only a handful of single photons. However, a scalable implementation of boson sampling is missing. Here, we show how superconducting circuits provide such platform. Our proposal differs radically from traditional quantum-optical implementations: rather than injecting photons in waveguides, making them pass through optical elements like phase shifters and beam splitters, and finally detecting their output mode, we prepare the required multiphoton input state in a superconducting resonator array, control its dynamics via tunable and dispersive interactions, and measure it with nondemolition techniques.

  12. Should we enhance animals?

    PubMed Central

    Chan, Sarah

    2012-01-01

    Much bioethical discussion has been devoted to the subject of human enhancement through various technological means such as genetic modification. Although many of the same technologies could be, indeed in many cases already have been, applied to non-human animals, there has been very little consideration of the concept of “animal enhancement”, at least not in those specific terms. This paper addresses the notion of animal enhancement and the ethical issues surrounding it. A definition of animal enhancement is proposed that provides a framework within which to consider these issues; and it is argued that if human enhancement can be considered to be a moral obligation, so too can animal enhancement. PMID:19880704

  13. EDITORIAL: Nano-enhanced! Nano-enhanced!

    NASA Astrophysics Data System (ADS)

    Demming, Anna

    2010-08-01

    In the early 19th century, a series of engineering and scientific breakthroughs by Nicolas Léonard Sadi Carnot, James Watt and many others led to the foundations of thermodynamics and a new pedigree of mechanical designs that reset the standards of engineering efficiency. The result was the industrial revolution. In optical- and electronics- based nanotechnology research, a similarly subtle bargain is being made; we cannot alter the fact that systems have a finite response to external excitations, but what we can do is enhance that response. The promising attributes of ZnO have long been recognised; its large band gap and high exciton binding energy lend it to a number of applications from laser diodes, LEDs, optical waveguides and switches, and acousto-optic applications to sun cream. When this material is grown into nanowires and nanorods, the material gains a whole new dimension, as quantum confinement effects come into play. Discovery of the enhanced radiative recombination, which has potential for exploitation in many optical and opto-electronic applications, drove intensive research into investigating these structures and into finding methods to synthesise them with optimised properties. This research revealed further subtleties in the properties of these materials. One example is the work by researchers in the US reporting synthesis procedures that produced a yield—defined as the weight ratio of ZnO nanowires to the original graphite flakes—of 200%, and which also demonstrated, through photoluminescence analysis of nanowires grown on graphite flakes and substrates, that graphite induces oxygen vacancies during annealing, which enhances the deep-level to near-band-edge emission ratio [1]. Other one-dimensional materials that provide field emission enhancements include carbon nanotubes, and work has been performed to find ways of optimising the emission efficiency from these structures, such as through control of the emitter density [2]. One of the

  14. Depth-discrete sampling port

    DOEpatents

    Pemberton, Bradley E.; May, Christopher P.; Rossabi, Joseph; Riha, Brian D.; Nichols, Ralph L.

    1999-01-01

    A sampling port is provided which has threaded ends for incorporating the port into a length of subsurface pipe. The port defines an internal receptacle which is in communication with subsurface fluids through a series of fine filtering slits. The receptacle is in further communication through a bore with a fitting carrying a length of tubing there which samples are transported to the surface. Each port further defines an additional bore through which tubing, cables, or similar components of adjacent ports may pass.

  15. Depth-discrete sampling port

    DOEpatents

    Pemberton, Bradley E.; May, Christopher P.; Rossabi, Joseph; Riha, Brian D.; Nichols, Ralph L.

    1998-07-07

    A sampling port is provided which has threaded ends for incorporating the port into a length of subsurface pipe. The port defines an internal receptacle which is in communication with subsurface fluids through a series of fine filtering slits. The receptacle is in further communication through a bore with a fitting carrying a length of tubing there which samples are transported to the surface. Each port further defines an additional bore through which tubing, cables, or similar components of adjacent ports may pass.

  16. Environmental surveillance master sampling schedule

    SciTech Connect

    Bisping, L.E.

    1993-01-01

    Environmental surveillance of the Hanford Site and surrounding areas is conducted by the Pacific Northwest Laboratory (PNL) for the US Department of Energy (DOE). Samples are routinely collected and analyzed to determine the quality of air, surface water, ground water, soil, sediment, wildlife, vegetation, foodstuffs, and farm products at Hanford Site and surrounding communities. This document contains the planned schedule for routine sample collection for the Surface Environmental Surveillance Project (SESP) and Drinking Water Project, and Ground-Water Surveillance Project.

  17. Sample Return: What Happens to the Samples on Earth?

    NASA Technical Reports Server (NTRS)

    McNamara, Karen

    2010-01-01

    As space agencies throughout the world turn their attention toward human exploration of the Moon, Mars, and the solar system beyond, there has been an increase in the number of robotic sample return missions proposed as precursors to these human endeavors. In reality, however, we, as a global community, have very little experience with robotic sample return missions: 3 of the Russian Luna Missions successfully returned lunar material in the 1970s; 28 years later, in 2004, NASA s Genesis Mission returned material from the solar wind; and in 2006, NASA s Stardust Mission returned material from the Comet Wild2. [Note: The Japanese Hyabusa mission continues in space with the hope of returning material from the asteroid 25143 Itokawa.] We launch many spacecraft to LEO and return them to Earth. We also launch spacecraft beyond LEO to explore the planets, our solar system, and beyond. Some even land on these bodies. But these do not return. So as we begin to contemplate the sample return missions of the future, some common questions arise: "What really happens when the capsule returns?" "Where does it land?" "Who retrieves it and just how do they do that?" "Where does it go after that?" "How do the scientists get the samples?" "Do they keep them?" "Who is in charge?" The questions are nearly endless. The goal of this paper/presentation is to uncover many of the mysteries of the post-return phase of a mission - from the time the return body enters the atmosphere until the mission ends and the samples become part of a long term collection. The discussion will be based largely on the author s own experience with both the Genesis and Stardust missions. Of course, these two missions have a great deal in common, being funded by the same NASA Program (Discovery) and having similar team composition. The intent, however, is to use these missions as examples in order to highlight the general requirements and the challenges in defining and meeting those requirements for the final

  18. GEOSTATISTICAL SAMPLING DESIGNS FOR HAZARDOUS WASTE SITES

    EPA Science Inventory

    This chapter discusses field sampling design for environmental sites and hazardous waste sites with respect to random variable sampling theory, Gy's sampling theory, and geostatistical (kriging) sampling theory. The literature often presents these sampling methods as an adversari...

  19. Improving Lab Sample Management - POS/MCEARD

    EPA Science Inventory

    "Scientists face increasing challenges in managing their laboratory samples, including long-term storage of legacy samples, tracking multiple aliquots of samples for many experiments, and linking metadata to these samples. Other factors complicating sample management include the...

  20. SALI chemical analysis of provided samples

    NASA Technical Reports Server (NTRS)

    Becker, Christopher H.

    1993-01-01

    SRI has completed the chemical analysis of all the samples supplied by NASA. The final batch of four samples consisted of: one inch diameter MgF2 mirror, control 1200-ID-FL3; one inch diameter neat resin, PMR-15, AO171-IV-55, half exposed and half unexposed; one inch diameter chromic acid anodized, EOIM-3 120-47 aluminum disc; and AO-exposed and unexposed samples of fullerene extract material in powdered form, pressed into In foil for analysis. Chemical analyses of the surfaces were performed by the surface analysis by laser ionization (SALI) method. The analyses emphasize surface contamination or general organic composition. SALI uses nonselective photoionization of sputtered or desorbed atoms and molecules above but close (approximately one mm) to the surface, followed by time-of-flight (TOF) mass spectrometry. In these studies, we used laser-induced desorption by 5-ns pulse-width 355-nm light (10-100 mJ/sq cm) and single-photon ionization (SPI) by coherent 118-nm radiation (at approximately 5 x 10(exp 5) W/sq cm). SPI was chosen primarily for its ability to obtain molecular information, whereas multiphoton ionization (not used in the present studies) is intended primarily for elemental and small molecule information. In addition to these four samples, the Au mirror (EOIM-3 200-11, sample four) was depth profiled again. Argon ion sputtering was used together with photoionization with intense 355-nm radiation (35-ps pulsewidths). Depth profiles are similar to those reported earlier, showing reproducibility. No chromium was found in the sample above noise level; its presence could at most be at the trace level. Somewhat more Ni appears to be present in the Au layer in the unexposed side, indicating thermal diffusion without chemical enhancement. The result of the presence of oxygen is apparently to tie-up/draw out the Ni as an oxide at the surface. The exposed region has a brownish tint appearance to the naked eye.