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Sample records for sampling complex surfaces

  1. Uncertainty analysis of point-by-point sampling complex surfaces using touch probe CMMs DOE for complex surfaces verification with CMM

    DEFF Research Database (Denmark)

    Barini, Emanuele Modesto; Tosello, Guido; De Chiffre, Leonardo

    2010-01-01

    The paper describes a study concerning point-by-point sampling of complex surfaces using tactile CMMs. A four factor, two level completely randomized factorial experiment was carried out, involving measurements on a complex surface configuration item comprising a sphere, a cylinder and a cone, co...

  2. An index of floodplain surface complexity

    Science.gov (United States)

    Scown, Murray W.; Thoms, Martin C.; DeJager, Nathan R.

    2016-01-01

    Floodplain surface topography is an important component of floodplain ecosystems. It is the primary physical template upon which ecosystem processes are acted out, and complexity in this template can contribute to the high biodiversity and productivity of floodplain ecosystems. There has been a limited appreciation of floodplain surface complexity because of the traditional focus on temporal variability in floodplains as well as limitations to quantifying spatial complexity. An index of floodplain surface complexity (FSC) is developed in this paper and applied to eight floodplains from different geographic settings. The index is based on two key indicators of complexity, variability in surface geometry (VSG) and the spatial organisation of surface conditions (SPO), and was determined at three sampling scales. FSC, VSG, and SPO varied between the eight floodplains and these differences depended upon sampling scale. Relationships between these measures of spatial complexity and seven geomorphological and hydrological drivers were investigated. There was a significant decline in all complexity measures with increasing floodplain width, which was explained by either a power, logarithmic, or exponential function. There was an initial rapid decline in surface complexity as floodplain width increased from 1.5 to 5 km, followed by little change in floodplains wider than 10 km. VSG also increased significantly with increasing sediment yield. No significant relationships were determined between any of the four hydrological variables and floodplain surface complexity.

  3. Direct protein quantification in complex sample solutions by surface-engineered nanorod probes

    KAUST Repository

    Schrittwieser, Stefan

    2017-06-30

    Detecting biomarkers from complex sample solutions is the key objective of molecular diagnostics. Being able to do so in a simple approach that does not require laborious sample preparation, sophisticated equipment and trained staff is vital for point-of-care applications. Here, we report on the specific detection of the breast cancer biomarker sHER2 directly from serum and saliva samples by a nanorod-based homogeneous biosensing approach, which is easy to operate as it only requires mixing of the samples with the nanorod probes. By careful nanorod surface engineering and homogeneous assay design, we demonstrate that the formation of a protein corona around the nanoparticles does not limit the applicability of our detection method, but on the contrary enables us to conduct in-situ reference measurements, thus further strengthening the point-of-care applicability of our method. Making use of sandwich assays on top of the nanorods, we obtain a limit of detection of 110 pM and 470 pM in 10-fold diluted spiked saliva and serum samples, respectively. In conclusion, our results open up numerous applications in direct protein biomarker quantification, specifically in point-of-care settings where resources are limited and ease-of-use is of essence.

  4. Direct protein quantification in complex sample solutions by surface-engineered nanorod probes

    KAUST Repository

    Schrittwieser, Stefan; Pelaz, Beatriz; Parak, Wolfgang J.; Lentijo Mozo, Sergio; Soulantica, Katerina; Dieckhoff, Jan; Ludwig, Frank; Schotter, Joerg

    2017-01-01

    Detecting biomarkers from complex sample solutions is the key objective of molecular diagnostics. Being able to do so in a simple approach that does not require laborious sample preparation, sophisticated equipment and trained staff is vital for point-of-care applications. Here, we report on the specific detection of the breast cancer biomarker sHER2 directly from serum and saliva samples by a nanorod-based homogeneous biosensing approach, which is easy to operate as it only requires mixing of the samples with the nanorod probes. By careful nanorod surface engineering and homogeneous assay design, we demonstrate that the formation of a protein corona around the nanoparticles does not limit the applicability of our detection method, but on the contrary enables us to conduct in-situ reference measurements, thus further strengthening the point-of-care applicability of our method. Making use of sandwich assays on top of the nanorods, we obtain a limit of detection of 110 pM and 470 pM in 10-fold diluted spiked saliva and serum samples, respectively. In conclusion, our results open up numerous applications in direct protein biomarker quantification, specifically in point-of-care settings where resources are limited and ease-of-use is of essence.

  5. Uncertainty analysis of point by point sampling complex surfaces using touch probe CMMs

    DEFF Research Database (Denmark)

    Barini, Emanuele; Tosello, Guido; De Chiffre, Leonardo

    2007-01-01

    The paper describes a study concerning point by point scanning of complex surfaces using tactile CMMs. A four factors-two level full factorial experiment was carried out, involving measurements on a complex surface configuration item comprising a sphere, a cylinder and a cone, combined in a singl...

  6. Investigation of the Effect of Small Hardening Spots Created on the Sample Surface by Laser Complex with Solid-State Laser

    Science.gov (United States)

    Nozdrina, O.; Zykov, I.; Melnikov, A.; Tsipilev, V.; Turanov, S.

    2018-03-01

    This paper describes the results of an investigation of the effect of small hardening spots (about 1 mm) created on the surface of a sample by laser complex with solid-state laser. The melted area of the steel sample is not exceed 5%. Steel microhardness change in the region subjected to laser treatment is studied. Also there is a graph of the deformation of samples dependence on the tension. As a result, the yield plateau and plastic properties changes were detected. The flow line was tracked in the series of speckle photographs. As a result we can see how mm surface inhomogeneity can influence on the deformation and strength properties of steel.

  7. Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.

    Science.gov (United States)

    Awasthi, Shalini; Kapil, Venkat; Nair, Nisanth N

    2016-06-15

    Metadynamics (MTD) is a very powerful technique to sample high-dimensional free energy landscapes, and due to its self-guiding property, the method has been successful in studying complex reactions and conformational changes. MTD sampling is based on filling the free energy basins by biasing potentials and thus for cases with flat, broad, and unbound free energy wells, the computational time to sample them becomes very large. To alleviate this problem, we combine the standard Umbrella Sampling (US) technique with MTD to sample orthogonal collective variables (CVs) in a simultaneous way. Within this scheme, we construct the equilibrium distribution of CVs from biased distributions obtained from independent MTD simulations with umbrella potentials. Reweighting is carried out by a procedure that combines US reweighting and Tiwary-Parrinello MTD reweighting within the Weighted Histogram Analysis Method (WHAM). The approach is ideal for a controlled sampling of a CV in a MTD simulation, making it computationally efficient in sampling flat, broad, and unbound free energy surfaces. This technique also allows for a distributed sampling of a high-dimensional free energy surface, further increasing the computational efficiency in sampling. We demonstrate the application of this technique in sampling high-dimensional surface for various chemical reactions using ab initio and QM/MM hybrid molecular dynamics simulations. Further, to carry out MTD bias reweighting for computing forward reaction barriers in ab initio or QM/MM simulations, we propose a computationally affordable approach that does not require recrossing trajectories. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  8. Evaluation of complex gonioapparent samples using a bidirectional spectrometer.

    Science.gov (United States)

    Rogelj, Nina; Penttinen, Niko; Gunde, Marta Klanjšek

    2015-08-24

    Many applications use gonioapparent targets whose appearance depends on irradiation and viewing angles; the strongest effects are provided by light diffraction. These targets, optically variable devices (OVDs), are used in both security and authentication applications. This study introduces a bidirectional spectrometer, which enables to analyze samples with most complex angular and spectral properties. In our work, the spectrometer is evaluated with samples having very different types of reflection, concerning spectral and angular distributions. Furthermore, an OVD containing several different grating patches is evaluated. The device uses automatically adjusting exposure time to provide maximum signal dynamics and is capable of doing steps as small as 0.01°. However, even 2° steps for the detector movement showed that this device is more than capable of characterizing even the most complex reflecting surfaces. This study presents sRGB visualizations, discussion of bidirectional reflection, and accurate grating period calculations for all of the grating samples used.

  9. Machining of Complex Sculptured Surfaces

    CERN Document Server

    2012-01-01

    The machining of complex sculptured surfaces is a global technological topic in modern manufacturing with relevance in both industrialized and emerging in countries particularly within the moulds and dies sector whose applications include highly technological industries such as the automotive and aircraft industry. Machining of Complex Sculptured Surfaces considers new approaches to the manufacture of moulds and dies within these industries. The traditional technology employed in the manufacture of moulds and dies combined conventional milling and electro-discharge machining (EDM) but this has been replaced with  high-speed milling (HSM) which has been applied in roughing, semi-finishing and finishing of moulds and dies with great success. Machining of Complex Sculptured Surfaces provides recent information on machining of complex sculptured surfaces including modern CAM systems and process planning for three and five axis machining as well as explanations of the advantages of HSM over traditional methods ra...

  10. Removal of arsenate by ferrihydrite via surface complexation and surface precipitation

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Xiuli [Department of Environment Engineering, College of the Environment and Ecology, and The Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem, Xiamen University, Xiamen (China); Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, and The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen (China); Peng, Changjun; Fu, Dun; Chen, Zheng [Department of Environment Engineering, College of the Environment and Ecology, and The Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem, Xiamen University, Xiamen (China); Shen, Liang [Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, and The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen (China); Li, Qingbiao [Department of Environment Engineering, College of the Environment and Ecology, and The Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem, Xiamen University, Xiamen (China); Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, and The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen (China); Ouyang, Tong, E-mail: yz3t@xmu.edu.cn [Department of Environment Engineering, College of the Environment and Ecology, and The Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem, Xiamen University, Xiamen (China); Wang, Yuanpeng, E-mail: wypp@xmu.edu.cn [Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, and The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen (China)

    2015-10-30

    Graphical abstract: - Highlights: • Surface complexation and surface precipitation of As on ferrihydrite happen at pH 3–6. • The formation of surface precipitation enhanced As(V) adsorption. • The dissolved Fe{sup 3+} had a good linear relationship with the amount of arsenate re-adsorption. - Abstract: In this study, macroscopic and spectroscopic experimental methods accurately modeled the sorption process of arsenate on ferrihydrite. EXAFS, X-ray diffraction and infrared (IR) spectroscopy indicated that the behavior of As(V) adsorption onto ferrihydrite took place mainly via surface complexation and surface precipitation at acidic pH (3.0–6.0), while the surface precipitation was dominated at longer time intervals and higher Fe{sup 3+} concentration. The macroscopic competitive adsorption experiment between arsenate with phosphate indicated two types of adsorption sites existing on the surface of ferrihydrite, i.e., non-exchangeable sites, which are responsible for a rapid surface complex formation; and exchangeable sites for a slow build-up of surface precipitates. In the slow build-up precipitates, the As(V) surface coverage (mmol/g) exhibited a good linear relationship (R{sup 2} = 0.952) with the amount of dissolved Fe{sup 3+}. Three steps are involved during the process of surface precipitation, i.e., (1) an initial uptake of As(V) via surface complexation; (2) re-adsorption of Fe{sup 3+} leaching from ferrihydrite on the surface complex; and (3) As(V) adsorption via surface complexation again and finally forming the surface precipitate.

  11. Predictive Surface Complexation Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, Dimitri A. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Earth and Planetary Sciences

    2016-11-29

    Surface complexation plays an important role in the equilibria and kinetics of processes controlling the compositions of soilwaters and groundwaters, the fate of contaminants in groundwaters, and the subsurface storage of CO2 and nuclear waste. Over the last several decades, many dozens of individual experimental studies have addressed aspects of surface complexation that have contributed to an increased understanding of its role in natural systems. However, there has been no previous attempt to develop a model of surface complexation that can be used to link all the experimental studies in order to place them on a predictive basis. Overall, my research has successfully integrated the results of the work of many experimentalists published over several decades. For the first time in studies of the geochemistry of the mineral-water interface, a practical predictive capability for modeling has become available. The predictive correlations developed in my research now enable extrapolations of experimental studies to provide estimates of surface chemistry for systems not yet studied experimentally and for natural and anthropogenically perturbed systems.

  12. EML Surface Air Sampling Program, 1990--1993 data

    International Nuclear Information System (INIS)

    Larsen, R.J.; Sanderson, C.G.; Kada, J.

    1995-11-01

    Measurements of the concentrations of specific atmospheric radionuclides in air filter samples collected for the Environmental Measurements Laboratory's Surface Air Sampling Program (SASP) during 1990--1993, with the exception of April 1993, indicate that anthropogenic radionuclides, in both hemispheres, were at or below the lower limits of detection for the sampling and analytical techniques that were used to collect and measure them. The occasional detection of 137 Cs in some air filter samples may have resulted from resuspension of previously deposited debris. Following the April 6, 1993 accident and release of radionuclides into the atmosphere at a reprocessing plant in the Tomsk-7 military nuclear complex located 16 km north of the Siberian city of Tomsk, Russia, weekly air filter samples from Barrow, Alaska; Thule, Greenland and Moosonee, Canada were selected for special analyses. The naturally occurring radioisotopes that the authors measure, 7 Be and 210 Pb, continue to be detected in most air filter samples. Variations in the annual mean concentrations of 7 Be at many of the sites appear to result primarily from changes in the atmospheric production rate of this cosmogenic radionuclide. Short-term variations in the concentrations of 7 Be and 210 Pb continued to be observed at many sites at which weekly air filter samples were analyzed. The monthly gross gamma-ray activity and the monthly mean surface air concentrations of 7 Be, 95 Zr, 137 Cs, 144 Ce, and 210 Pb measured at sampling sites in SASP during 1990--1993 are presented. The weekly mean surface air concentrations of 7 Be, 95 Zr, 137 Cs, 144 Ce, and 210 Pb for samples collected during 1990--1993 are given for 17 sites

  13. Surface Complexation of Neptunium(V) with Goethite

    International Nuclear Information System (INIS)

    Jerden, James L.; Kropf, A. Jeremy

    2007-01-01

    Batch adsorption experiments in which neptunium-bearing solutions were reacted with goethite (alpha-FeOOH) have been performed to study uptake mechanisms in sodium chloride and calcium-bearing sodium silicate solutions. This paper presents results identifying and quantifying the mechanisms by which neptunium is adsorbed as a function of pH and reaction time (aging). Also presented are results from tests in which neptunium is reacted with goethite in the presence of other cations (uranyl and calcium) that may compete with neptunium for sorption sites. The desorption of neptunium from goethite has been studied by re-suspending the neptunium-loaded goethite samples in solutions containing no neptunium. Selected reacted sorbent samples were analyzed by x-ray absorption spectroscopy (XAS) to determine the oxidation state and molecular speciation of the adsorbed neptunium. Results have been used to establish the pH adsorption edge of neptunium on goethite in sodium chloride and calcium-bearing sodium silicate solutions. The results indicate that neptunium uptake on goethite reaches 95% at a pH of approximately 7 and begins to decrease at pH values greater than 8.5. Distribution coefficients for neptunium sorption range from less than 1000 (moles/kg) sorbed / (moles/kg) solution at pH less than 5.0 to greater than 10,000 (moles/kg) sorbed / (moles/kg) solution at pH greater than 7.0. Distribution coefficients as high as 100,000 (moles/kg) sorbed / (moles/kg) solution were recorded for the tests done in calcite equilibrated sodium silicate solutions. XAS results show that neptunium complexes with the goethite surface mainly as Np(V) (although Np(IV) is prevalent in some of the longer-duration sorption tests). The neptunium adsorbed to goethite shows Np-O bond length of approximately 1.8 angstroms which is representative of the Np-O axial bond in the neptunyl(V) complex. This neptunyl(V) ion is coordinated to 5 or 6 equatorial oxygens with Np-O bond lengths of 2

  14. Complexation of carboxylate on smectite surfaces.

    Science.gov (United States)

    Liu, Xiandong; Lu, Xiancai; Zhang, Yingchun; Zhang, Chi; Wang, Rucheng

    2017-07-19

    We report a first principles molecular dynamics (FPMD) study of carboxylate complexation on clay surfaces. By taking acetate as a model carboxylate, we investigate its inner-sphere complexes adsorbed on clay edges (including (010) and (110) surfaces) and in interlayer space. Simulations show that acetate forms stable monodentate complexes on edge surfaces and a bidentate complex with Ca 2+ in the interlayer region. The free energy calculations indicate that the complexation on edge surfaces is slightly more stable than in interlayer space. By integrating pK a s and desorption free energies of Al coordinated water calculated previously (X. Liu, X. Lu, E. J. Meijer, R. Wang and H. Zhou, Geochim. Cosmochim. Acta, 2012, 81, 56-68; X. Liu, J. Cheng, M. Sprik, X. Lu and R. Wang, Geochim. Cosmochim. Acta, 2014, 140, 410-417), the pH dependence of acetate complexation has been revealed. It shows that acetate forms inner-sphere complexes on (110) in a very limited mildly acidic pH range while it can complex on (010) in the whole common pH range. The results presented in this study form a physical basis for understanding the geochemical processes involving clay-organics interactions.

  15. EML Surface Air Sampling Program, 1990--1993 data

    Energy Technology Data Exchange (ETDEWEB)

    Larsen, R.J.; Sanderson, C.G.; Kada, J.

    1995-11-01

    Measurements of the concentrations of specific atmospheric radionuclides in air filter samples collected for the Environmental Measurements Laboratory`s Surface Air Sampling Program (SASP) during 1990--1993, with the exception of April 1993, indicate that anthropogenic radionuclides, in both hemispheres, were at or below the lower limits of detection for the sampling and analytical techniques that were used to collect and measure them. The occasional detection of {sup 137}Cs in some air filter samples may have resulted from resuspension of previously deposited debris. Following the April 6, 1993 accident and release of radionuclides into the atmosphere at a reprocessing plant in the Tomsk-7 military nuclear complex located 16 km north of the Siberian city of Tomsk, Russia, weekly air filter samples from Barrow, Alaska; Thule, Greenland and Moosonee, Canada were selected for special analyses. The naturally occurring radioisotopes that the authors measure, {sup 7}Be and {sup 210}Pb, continue to be detected in most air filter samples. Variations in the annual mean concentrations of {sup 7}Be at many of the sites appear to result primarily from changes in the atmospheric production rate of this cosmogenic radionuclide. Short-term variations in the concentrations of {sup 7}Be and {sup 210}Pb continued to be observed at many sites at which weekly air filter samples were analyzed. The monthly gross gamma-ray activity and the monthly mean surface air concentrations of {sup 7}Be, {sup 95}Zr, {sup 137}Cs, {sup 144}Ce, and {sup 210}Pb measured at sampling sites in SASP during 1990--1993 are presented. The weekly mean surface air concentrations of {sup 7}Be, {sup 95}Zr, {sup 137}Cs, {sup 144}Ce, and {sup 210}Pb for samples collected during 1990--1993 are given for 17 sites.

  16. Ball assisted device for analytical surface sampling

    Science.gov (United States)

    ElNaggar, Mariam S; Van Berkel, Gary J; Covey, Thomas R

    2015-11-03

    A system for sampling a surface includes a sampling probe having a housing and a socket, and a rolling sampling sphere within the socket. The housing has a sampling fluid supply conduit and a sampling fluid exhaust conduit. The sampling fluid supply conduit supplies sampling fluid to the sampling sphere. The sampling fluid exhaust conduit has an inlet opening for receiving sampling fluid carried from the surface by the sampling sphere. A surface sampling probe and a method for sampling a surface are also disclosed.

  17. Surface complexation models for uranium adsorption in the sub-surface environment

    International Nuclear Information System (INIS)

    Payne, T.E.

    2007-01-01

    Adsorption experiments with soil component minerals under a range of conditions are being used to develop models of uranium(VI) uptake in the sub-surface environment. The results show that adsorption of U on iron oxides and clay minerals is influenced by chemical factors including the pH, partial pressure of CO 2 , and the presence of ligands such as phosphate. Surface complexation models (SCMs) can be used to simulate U adsorption on these minerals. The SCMs are based on plausible mechanistic assumptions and describe the experimental data more adequately than Kd values or sorption isotherms. It is conceptually possible to simulate U sorption data on complex natural samples by combining SCMs for individual component minerals. This approach was used to develop a SCM for U adsorption to mineral assemblages from Koongarra (Australia), and produced a reasonable description of U uptake. In order to assess the applicability of experimental data to the field situation, in-situ measurements of U distributions between solid and liquid phases were undertaken at the Koongarra U deposit. This field partitioning data showed a satisfactory agreement with laboratory sorption data obtained under comparable conditions. (author)

  18. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    Energy Technology Data Exchange (ETDEWEB)

    Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

    2015-01-30

    Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  19. Three-dimensional reconstruction of highly complex microscopic samples using scanning electron microscopy and optical flow estimation.

    Directory of Open Access Journals (Sweden)

    Ahmadreza Baghaie

    Full Text Available Scanning Electron Microscope (SEM as one of the major research and industrial equipment for imaging of micro-scale samples and surfaces has gained extensive attention from its emerge. However, the acquired micrographs still remain two-dimensional (2D. In the current work a novel and highly accurate approach is proposed to recover the hidden third-dimension by use of multi-view image acquisition of the microscopic samples combined with pre/post-processing steps including sparse feature-based stereo rectification, nonlocal-based optical flow estimation for dense matching and finally depth estimation. Employing the proposed approach, three-dimensional (3D reconstructions of highly complex microscopic samples were achieved to facilitate the interpretation of topology and geometry of surface/shape attributes of the samples. As a byproduct of the proposed approach, high-definition 3D printed models of the samples can be generated as a tangible means of physical understanding. Extensive comparisons with the state-of-the-art reveal the strength and superiority of the proposed method in uncovering the details of the highly complex microscopic samples.

  20. A Improved Seabed Surface Sand Sampling Device

    Science.gov (United States)

    Luo, X.

    2017-12-01

    In marine geology research it is necessary to obtain a suf fcient quantity of seabed surface samples, while also en- suring that the samples are in their original state. Currently,there are a number of seabed surface sampling devices available, but we fnd it is very diffcult to obtain sand samples using these devices, particularly when dealing with fne sand. Machine-controlled seabed surface sampling devices are also available, but generally unable to dive into deeper regions of water. To obtain larger quantities of seabed surface sand samples in their original states, many researchers have tried to improve upon sampling devices,but these efforts have generally produced ambiguous results, in our opinion.To resolve this issue, we have designed an improved andhighly effective seabed surface sand sampling device that incorporates the strengths of a variety of sampling devices. It is capable of diving into deepwater to obtain fne sand samples and is also suited for use in streams, rivers, lakes and seas with varying levels of depth (up to 100 m). This device can be used for geological mapping, underwater prospecting, geological engineering and ecological, environmental studies in both marine and terrestrial waters.

  1. Holographic subregion complexity for singular surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bakhshaei, Elaheh [Isfahan University of Technology, Department of Physics, Isfahan (Iran, Islamic Republic of); Mollabashi, Ali [Institute for Research in Fundamental Sciences (IPM), School of Physics, Tehran (Iran, Islamic Republic of); Shirzad, Ahmad [Isfahan University of Technology, Department of Physics, Isfahan (Iran, Islamic Republic of); Institute for Research in Fundamental Sciences (IPM), School of Particles and Accelerators, Tehran (Iran, Islamic Republic of)

    2017-10-15

    Recently holographic prescriptions were proposed to compute the quantum complexity of a given state in the boundary theory. A specific proposal known as 'holographic subregion complexity' is supposed to calculate the complexity of a reduced density matrix corresponding to a static subregion. We study different families of singular subregions in the dual field theory and find the divergence structure and universal terms of holographic subregion complexity for these singular surfaces. We find that there are new universal terms, logarithmic in the UV cut-off, due to the singularities of a family of surfaces including a kink in (2 + 1) dimensions and cones in even dimensional field theories. We also find examples of new divergent terms such as squared logarithm and negative powers times the logarithm of the UV cut-off parameter. (orig.)

  2. Mixed DNA/Oligo(ethylene glycol) Functionalized Gold Surface Improve DNA Hybridization in Complex Media

    International Nuclear Information System (INIS)

    Lee, C.; Gamble, L.; Grainger, D.; Castner, D.

    2006-01-01

    Reliable, direct 'sample-to-answer' capture of nucleic acid targets from complex media would greatly improve existing capabilities of DNA microarrays and biosensors. This goal has proven elusive for many current nucleic acid detection technologies attempting to produce assay results directly from complex real-world samples, including food, tissue, and environmental materials. In this study, we have investigated mixed self-assembled thiolated single-strand DNA (ssDNA) monolayers containing a short thiolated oligo(ethylene glycol) (OEG) surface diluent on gold surfaces to improve the specific capture of DNA targets from complex media. Both surface composition and orientation of these mixed DNA monolayers were characterized with x-ray photoelectron spectroscopy (XPS) and near-edge x-ray absorption fine structure (NEXAFS). XPS results from sequentially adsorbed ssDNA/OEG monolayers on gold indicate that thiolated OEG diluent molecules first incorporate into the thiolated ssDNA monolayer and, upon longer OEG exposures, competitively displace adsorbed ssDNA molecules from the gold surface. NEXAFS polarization dependence results (followed by monitoring the N 1s→π* transition) indicate that adsorbed thiolated ssDNA nucleotide base-ring structures in the mixed ssDNA monolayers are oriented more parallel to the gold surface compared to DNA bases in pure ssDNA monolayers. This supports ssDNA oligomer reorientation towards a more upright position upon OEG mixed adlayer incorporation. DNA target hybridization on mixed ssDNA probe/OEG monolayers was monitored by surface plasmon resonance (SPR). Improvements in specific target capture for these ssDNA probe surfaces due to incorporation of the OEG diluent were demonstrated using two model biosensing assays, DNA target capture from complete bovine serum and from salmon genomic DNA mixtures. SPR results demonstrate that OEG incorporation into the ssDNA adlayer improves surface resistance to both nonspecific DNA and protein

  3. Restoration of an object from its complex cross sections and surface smoothing of the object

    International Nuclear Information System (INIS)

    Agui, Takeshi; Arai, Kiyoshi; Nakajima, Masayuki

    1990-01-01

    In clinical medicine, restoring the surface of a three-dimensional object from its set of parallel cross sections obtained by CT or MRI is useful in diagnoses. A method of connecting a pair of contours on neighboring cross sections to each other by triangular patches is generally used for this restoration. This method, however, has the complexity of triangulation algorithm, and requires the numerous quantity of calculations when surface smoothing is executed. In our new method, the positions of sampling points are expressed in cylindrical coordinates. Sampling points including auxiliary points are extracted and connected using simple algorithm. Surface smoothing is executed by moving sampling points. This method extends the application scope of restoring objects by triangulation. (author)

  4. Efficient sample preparation from complex biological samples using a sliding lid for immobilized droplet extractions.

    Science.gov (United States)

    Casavant, Benjamin P; Guckenberger, David J; Beebe, David J; Berry, Scott M

    2014-07-01

    Sample preparation is a major bottleneck in many biological processes. Paramagnetic particles (PMPs) are a ubiquitous method for isolating analytes of interest from biological samples and are used for their ability to thoroughly sample a solution and be easily collected with a magnet. There are three main methods by which PMPs are used for sample preparation: (1) removal of fluid from the analyte-bound PMPs, (2) removal of analyte-bound PMPs from the solution, and (3) removal of the substrate (with immobilized analyte-bound PMPs). In this paper, we explore the third and least studied method for PMP-based sample preparation using a platform termed Sliding Lid for Immobilized Droplet Extractions (SLIDE). SLIDE leverages principles of surface tension and patterned hydrophobicity to create a simple-to-operate platform for sample isolation (cells, DNA, RNA, protein) and preparation (cell staining) without the need for time-intensive wash steps, use of immiscible fluids, or precise pinning geometries. Compared to other standard isolation protocols using PMPs, SLIDE is able to perform rapid sample preparation with low (0.6%) carryover of contaminants from the original sample. The natural recirculation occurring within the pinned droplets of SLIDE make possible the performance of multistep cell staining protocols within the SLIDE by simply resting the lid over the various sample droplets. SLIDE demonstrates a simple easy to use platform for sample preparation on a range of complex biological samples.

  5. Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

    Science.gov (United States)

    Tournassat, C.; Tinnacher, R. M.; Grangeon, S.; Davis, J. A.

    2018-01-01

    The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonite edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites ('spillover' effect). A series of U(VI) - Na-montmorillonite batch adsorption experiments was conducted as a function of pH, with variable U(VI), Ca, and dissolved carbonate concentrations. Based on the experimental data, a new type of surface complexation model (SCM) was developed for montmorillonite, that specifically accounts for the spillover effect using the edge surface speciation model by Tournassat et al. (2016a). The SCM allows for a prediction of U(VI) adsorption under varying chemical conditions with a minimum number of fitting parameters, not only for our own experimental results, but also for a number of published data sets. The model agreed well with many of these datasets without introducing a second site type or including the formation of ternary U(VI)-carbonato surface complexes. The model predictions were greatly impacted by utilizing analytical measurements of dissolved inorganic carbon (DIC) concentrations in individual sample solutions rather than assuming solution equilibration with a specific partial pressure of CO2, even when the gas phase was

  6. Constant-Distance Mode Nanospray Desorption Electrospray Ionization Mass Spectrometry Imaging of Biological Samples with Complex Topography

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Son N.; Liyu, Andrey V.; Chu, Rosalie K.; Anderton, Christopher R.; Laskin, Julia

    2017-01-17

    A new approach for constant distance mode mass spectrometry imaging of biological samples using nanospray desorption electrospray ionization (nano-DESI MSI) was developed by integrating a shear-force probe with nano-DESI probe. The technical concept and basic instrumental setup as well as general operation of the system are described. Mechanical dampening of resonant oscillations due to the presence of shear forces between the probe and the sample surface enables constant-distance imaging mode via a computer controlled closed feedback loop. The capability of simultaneous chemical and topographic imaging of complex biological samples is demonstrated using living Bacillus Subtilis ATCC 49760 colonies on agar plates. The constant-distance mode nano-DESI MSI enabled imaging of many metabolites including non-ribosomal peptides (surfactin, plipastatin and iturin) and iron-bound heme on the surface of living bacterial colonies ranging in diameter from 10 mm to 13 mm with height variations of up to 0.8 mm above the agar plate. Co-registration of ion images to topographic images provided higher-contrast images. Constant-mode nano-DESI MSI is ideally suited for imaging biological samples of complex topography in their native state.

  7. Nanoparticles in natural systems I: The effective reactive surface area of the natural oxide fraction in field samples.

    NARCIS (Netherlands)

    Hiemstra, T.; Antelo, J.; Rahnemaie, R.; Riemsdijk, van W.H.

    2010-01-01

    Information on the particle size and reactive surface area of natural samples is essential for the application of surface complexation models (SCM) to predict bioavailability, toxicity, and transport of elements in the natural environment. In addition, this information will be of great help to

  8. Alkali-crown ether complexes at metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Thontasen, Nicha; Deng, Zhitao; Rauschenbach, Stephan [Max Planck Institute for Solid State Research, Stuttgart (Germany); Levita, Giacomo [University of Trieste, Trieste (Italy); Malinowski, Nikola [Max Planck Institute for Solid State Research, Stuttgart (Germany); Bulgarian Academy of Sciences, Sofia (Bulgaria); Kern, Klaus [Max Planck Institute for Solid State Research, Stuttgart (Germany); EPFL, Lausanne (Switzerland)

    2010-07-01

    Crown ethers are polycyclic ethers which, in solution, selectively bind cations depending on the size of the ring cavity. The study of a single host-guest complex is highly desirable in order to reveal the characteristics of these specific interactions at the atomic scale. Such detailed investigation is possible at the surface where high resolution imaging tools like scanning tunneling microscopy (STM) can be applied. Here, electrospray ion beam deposition (ES-IBD) is employed for the deposition of Dibenzo-24-crown-8 (DB24C8)-H{sup +}, -Na{sup +} and -Cs{sup +} complexes on a solid surface in ultrahigh vacuum (UHV). Where other deposition techniques have not been successful, this deposition technique combines the advantages of solution based preparation of the complex ions with a highly clean and controlled deposition in UHV. Single molecular structures and the cation-binding of DB24C8 at the surface are studied in situ by STM and MALDI-MS (matrix assisted laser desorption ionization mass spectrometry). The internal structure of the complex, i.e. ring and cavity, is observable only when alkali cations are incorporated. The BD24C8-H{sup +} complex in contrast appears as a compact feature. This result is in good agreement with theoretical models based on density functional theory calculations.

  9. Analysis of the Touch-And-Go Surface Sampling Concept for Comet Sample Return Missions

    Science.gov (United States)

    Mandic, Milan; Acikmese, Behcet; Bayard, David S.; Blackmore, Lars

    2012-01-01

    This paper studies the Touch-and-Go (TAG) concept for enabling a spacecraft to take a sample from the surface of a small primitive body, such as an asteroid or comet. The idea behind the TAG concept is to let the spacecraft descend to the surface, make contact with the surface for several seconds, and then ascend to a safe location. Sampling would be accomplished by an end-effector that is active during the few seconds of surface contact. The TAG event is one of the most critical events in a primitive body sample-return mission. The purpose of this study is to evaluate the dynamic behavior of a representative spacecraft during the TAG event, i.e., immediately prior, during, and after surface contact of the sampler. The study evaluates the sample-collection performance of the proposed sampling end-effector, in this case a brushwheel sampler, while acquiring material from the surface during the contact. A main result of the study is a guidance and control (G&C) validation of the overall TAG concept, in addition to specific contributions to demonstrating the effectiveness of using nonlinear clutch mechanisms in the sampling arm joints, and increasing the length of the sampling arms to improve robustness.

  10. Intelligent sampling for the measurement of structured surfaces

    International Nuclear Information System (INIS)

    Wang, J; Jiang, X; Blunt, L A; Scott, P J; Leach, R K

    2012-01-01

    Uniform sampling in metrology has known drawbacks such as coherent spectral aliasing and a lack of efficiency in terms of measuring time and data storage. The requirement for intelligent sampling strategies has been outlined over recent years, particularly where the measurement of structured surfaces is concerned. Most of the present research on intelligent sampling has focused on dimensional metrology using coordinate-measuring machines with little reported on the area of surface metrology. In the research reported here, potential intelligent sampling strategies for surface topography measurement of structured surfaces are investigated by using numerical simulation and experimental verification. The methods include the jittered uniform method, low-discrepancy pattern sampling and several adaptive methods which originate from computer graphics, coordinate metrology and previous research by the authors. By combining the use of advanced reconstruction methods and feature-based characterization techniques, the measurement performance of the sampling methods is studied using case studies. The advantages, stability and feasibility of these techniques for practical measurements are discussed. (paper)

  11. Capacity constrained blue-noise sampling on surfaces

    KAUST Repository

    Zhang, Sen

    2015-11-27

    We present a novel method for high-quality blue-noise sampling on mesh surfaces with prescribed cell-sizes for the underlying tessellation (capacity constraint). Unlike the previous surface sampling approach that only uses capacity constraints as a regularizer of the Centroidal Voronoi Tessellation (CVT) energy, our approach enforces an exact capacity constraint using the restricted power tessellation on surfaces. Our approach is a generalization of the previous 2D blue noise sampling technique using an interleaving optimization framework. We further extend this framework to handle multi-capacity constraints. We compare our approach with several state-of-the-art methods and demonstrate that our results are superior to previous work in terms of preserving the capacity constraints.

  12. Adaptive maximal poisson-disk sampling on surfaces

    KAUST Repository

    Yan, Dongming

    2012-01-01

    In this paper, we study the generation of maximal Poisson-disk sets with varying radii on surfaces. Based on the concepts of power diagram and regular triangulation, we present a geometric analysis of gaps in such disk sets on surfaces, which is the key ingredient of the adaptive maximal Poisson-disk sampling framework. Moreover, we adapt the presented sampling framework for remeshing applications. Several novel and efficient operators are developed for improving the sampling/meshing quality over the state-of-theart. © 2012 ACM.

  13. Surface-complexation models for sorption onto heterogeneous surfaces

    International Nuclear Information System (INIS)

    Harvey, K.B.

    1997-10-01

    This report provides a description of the discrete-logK spectrum model, together with a description of its derivation, and of its place in the larger context of surface-complexation modelling. The tools necessary to apply the discrete-logK spectrum model are discussed, and background information appropriate to this discussion is supplied as appendices. (author)

  14. Sampling for Beryllium Surface Contamination using Wet, Dry and Alcohol Wipe Sampling

    Energy Technology Data Exchange (ETDEWEB)

    Kerr, Kent [Central Missouri State Univ., Warrensburg, MO (United States)

    2004-12-01

    This research project was conducted at the National Nuclear Security Administration's Kansas City Plant, operated by Honeywell Federal Manufacturing and Technologies, in conjunction with the Safety Sciences Department of Central Missouri State University, to compare relative removal efficiencies of three wipe sampling techniques currently used at Department of Energy facilities. Efficiencies of removal of beryllium contamination from typical painted surfaces were tested by wipe sampling with dry Whatman 42 filter paper, with water-moistened (Ghost Wipe) materials, and by methanol-moistened wipes. Test plates were prepared using 100 mm X 15 mm Pyrex Petri dishes with interior surfaces spray painted with a bond coat primer. To achieve uniform deposition over the test plate surface, 10 ml aliquots of solution containing 1 beryllium and 0.1 ml of metal working fluid were transferred to the test plates and subsequently evaporated. Metal working fluid was added to simulate the slight oiliness common on surfaces in metal working shops where fugitive oil mist accumulates over time. Sixteen test plates for each wipe method (dry, water, and methanol) were processed and sampled using a modification of wiping patterns recommended by OSHA Method 125G. Laboratory and statistical analysis showed that methanol-moistened wipe sampling removed significantly more (about twice as much) beryllium/oil-film surface contamination as water-moistened wipes (p< 0.001), which removed significantly more (about twice as much) residue as dry wipes (p <0.001). Evidence for beryllium sensitization via skin exposure argues in favor of wipe sampling with wetting agents that provide enhanced residue removal efficiency.

  15. Compact complex surfaces with geometric structures related to split quaternions

    International Nuclear Information System (INIS)

    Davidov, Johann; Grantcharov, Gueo; Mushkarov, Oleg; Yotov, Miroslav

    2012-01-01

    We study the problem of existence of geometric structures on compact complex surfaces that are related to split quaternions. These structures, called para-hypercomplex, para-hyperhermitian and para-hyperkähler, are analogs of the hypercomplex, hyperhermitian and hyperkähler structures in the definite case. We show that a compact 4-manifold carries a para-hyperkähler structure iff it has a metric of split signature together with two parallel, null, orthogonal, pointwise linearly independent vector fields. Every compact complex surface admitting a para-hyperhermitian structure has vanishing first Chern class and we show that, unlike the definite case, many of these surfaces carry infinite-dimensional families of such structures. We provide also compact examples of complex surfaces with para-hyperhermitian structures which are not locally conformally para-hyperkähler. Finally, we discuss the problem of non-existence of para-hyperhermitian structures on Inoue surfaces of type S 0 and provide a list of compact complex surfaces which could carry para-hypercomplex structures.

  16. An improved sampling method of complex network

    Science.gov (United States)

    Gao, Qi; Ding, Xintong; Pan, Feng; Li, Weixing

    2014-12-01

    Sampling subnet is an important topic of complex network research. Sampling methods influence the structure and characteristics of subnet. Random multiple snowball with Cohen (RMSC) process sampling which combines the advantages of random sampling and snowball sampling is proposed in this paper. It has the ability to explore global information and discover the local structure at the same time. The experiments indicate that this novel sampling method could keep the similarity between sampling subnet and original network on degree distribution, connectivity rate and average shortest path. This method is applicable to the situation where the prior knowledge about degree distribution of original network is not sufficient.

  17. Surface-illuminant ambiguity and color constancy: effects of scene complexity and depth cues.

    Science.gov (United States)

    Kraft, James M; Maloney, Shannon I; Brainard, David H

    2002-01-01

    Two experiments were conducted to study how scene complexity and cues to depth affect human color constancy. Specifically, two levels of scene complexity were compared. The low-complexity scene contained two walls with the same surface reflectance and a test patch which provided no information about the illuminant. In addition to the surfaces visible in the low-complexity scene, the high-complexity scene contained two rectangular solid objects and 24 paper samples with diverse surface reflectances. Observers viewed illuminated objects in an experimental chamber and adjusted the test patch until it appeared achromatic. Achromatic settings made tinder two different illuminants were used to compute an index that quantified the degree of constancy. Two experiments were conducted: one in which observers viewed the stimuli directly, and one in which they viewed the scenes through an optical system that reduced cues to depth. In each experiment, constancy was assessed for two conditions. In the valid-cue condition, many cues provided valid information about the illuminant change. In the invalid-cue condition, some image cues provided invalid information. Four broad conclusions are drawn from the data: (a) constancy is generally better in the valid-cue condition than in the invalid-cue condition: (b) for the stimulus configuration used, increasing image complexity has little effect in the valid-cue condition but leads to increased constancy in the invalid-cue condition; (c) for the stimulus configuration used, reducing cues to depth has little effect for either constancy condition: and (d) there is moderate individual variation in the degree of constancy exhibited, particularly in the degree to which the complexity manipulation affects performance.

  18. On sampling and modeling complex systems

    International Nuclear Information System (INIS)

    Marsili, Matteo; Mastromatteo, Iacopo; Roudi, Yasser

    2013-01-01

    The study of complex systems is limited by the fact that only a few variables are accessible for modeling and sampling, which are not necessarily the most relevant ones to explain the system behavior. In addition, empirical data typically undersample the space of possible states. We study a generic framework where a complex system is seen as a system of many interacting degrees of freedom, which are known only in part, that optimize a given function. We show that the underlying distribution with respect to the known variables has the Boltzmann form, with a temperature that depends on the number of unknown variables. In particular, when the influence of the unknown degrees of freedom on the known variables is not too irregular, the temperature decreases as the number of variables increases. This suggests that models can be predictable only when the number of relevant variables is less than a critical threshold. Concerning sampling, we argue that the information that a sample contains on the behavior of the system is quantified by the entropy of the frequency with which different states occur. This allows us to characterize the properties of maximally informative samples: within a simple approximation, the most informative frequency size distributions have power law behavior and Zipf’s law emerges at the crossover between the under sampled regime and the regime where the sample contains enough statistics to make inferences on the behavior of the system. These ideas are illustrated in some applications, showing that they can be used to identify relevant variables or to select the most informative representations of data, e.g. in data clustering. (paper)

  19. New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

    KAUST Repository

    Hamieh, Ali Imad Ali

    2017-01-01

    The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

  20. New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

    KAUST Repository

    Hamieh, Ali Imad

    2017-02-01

    The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

  1. Evaluation of surface sampling method performance for Bacillus Spores on clean and dirty outdoor surfaces.

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Mollye C.; Einfeld, Wayne; Boucher, Raymond M.; Brown, Gary Stephen; Tezak, Matthew Stephen

    2011-06-01

    Recovery of Bacillus atrophaeous spores from grime-treated and clean surfaces was measured in a controlled chamber study to assess sampling method performance. Outdoor surfaces investigated by wipe and vacuum sampling methods included stainless steel, glass, marble and concrete. Bacillus atrophaeous spores were used as a surrogate for Bacillus anthracis spores in this study designed to assess whether grime-coated surfaces significantly affected surface sampling method performance when compared to clean surfaces. A series of chamber tests were carried out in which known amounts of spores were allowed to gravitationally settle onto both clean and dirty surfaces. Reference coupons were co-located with test coupons in all chamber experiments to provide a quantitative measure of initial surface concentrations of spores on all surfaces, thereby allowing sampling recovery calculations. Results from these tests, carried out under both low and high humidity conditions, show that spore recovery from grime-coated surfaces is the same as or better than spore recovery from clean surfaces. Statistically significant differences between method performance for grime-coated and clean surfaces were observed in only about half of the chamber tests conducted.

  2. Uranium(VI) sorption onto magnetite. Increasing confidence in surface complexation models using chemically evident surface chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Bok, Frank [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes

    2017-06-01

    Surface complexation models have made great efforts in describing the sorption of various radionuclides on naturally occurring mineral phases. Unfortunately, many of the published sorption parameter sets are built upon unrealistic or even wrong surface chemistry. This work describes the benefit of combining spectroscopic and batch sorption experimental data to create a reliable and consistent surface complexation parameter set.

  3. Synthetic Multiple-Imputation Procedure for Multistage Complex Samples

    Directory of Open Access Journals (Sweden)

    Zhou Hanzhi

    2016-03-01

    Full Text Available Multiple imputation (MI is commonly used when item-level missing data are present. However, MI requires that survey design information be built into the imputation models. For multistage stratified clustered designs, this requires dummy variables to represent strata as well as primary sampling units (PSUs nested within each stratum in the imputation model. Such a modeling strategy is not only operationally burdensome but also inferentially inefficient when there are many strata in the sample design. Complexity only increases when sampling weights need to be modeled. This article develops a generalpurpose analytic strategy for population inference from complex sample designs with item-level missingness. In a simulation study, the proposed procedures demonstrate efficient estimation and good coverage properties. We also consider an application to accommodate missing body mass index (BMI data in the analysis of BMI percentiles using National Health and Nutrition Examination Survey (NHANES III data. We argue that the proposed methods offer an easy-to-implement solution to problems that are not well-handled by current MI techniques. Note that, while the proposed method borrows from the MI framework to develop its inferential methods, it is not designed as an alternative strategy to release multiply imputed datasets for complex sample design data, but rather as an analytic strategy in and of itself.

  4. Effects of XPS operational parameters on investigated sample surfaces

    International Nuclear Information System (INIS)

    Mrad, O.; Ismail, I.

    2013-04-01

    In this work, we studied the effects of the operating conditions of the xray photoelectron spectroscopy analysis technique (XPS) on the investigated samples. Firstly, the performances of the whole system have been verified as well as the accuracy of the analysis. Afterwards, the problem of the analysis of insulating samples caused by the charge buildup on the surface has been studied. The use of low-energy electron beam (<100 eV) to compensate the surface charge has been applied. The effect of X-ray on the samples have been assessed and was found to be nondestructive within the analysis time. The effect of low- and high-energy electron beams on the sample surface have been investigated. Highenergy electrons were found to have destructive effect on organic samples. The sample heating procedure has been tested and its effect on the chemical stat of the surface was followed. Finally, the ion source was used to determine the elements distribution and the chemical stat of different depths of the sample. A method has been proposed to determine these depths (author).

  5. Solving complex and disordered surface structures with electron diffraction

    International Nuclear Information System (INIS)

    Van Hove, M.A.

    1987-10-01

    The past of surface structure determination with low-energy electron diffraction (LEED) will be briefly reviewed, setting the stage for a discussion of recent and future developments. The aim of these developments is to solve complex and disordered surface structures. Some efficient solutions to the theoretical and experimental problems will be presented. Since the theoretical problems dominate, the emphasis will be on theoretical approaches to the calculation of the multiple scattering of electrons through complex and disordered surfaces. 49 refs., 13 figs., 1 tab

  6. Characterization of surface complexes in enhanced Raman scattering

    International Nuclear Information System (INIS)

    Roy, D.; Furtak, T.E.

    1984-01-01

    An indicator molecule, para-nitrosodimethylanaline (p-NDMA), has been used to study the chemical nature of surface complexes involving the active site for SERS in the electrochemical environment. We present evidence for positively charged Ag atoms stabilized by coadsorbed Cl - ions as the primary sites which are produced during the oxidation reduction cycle treatment of an Ag electrode. Depending on the relative number of Cl - ions which influence the Ag site the active site demonstrates a greater or lesser electron accepting character toward p-NDMA. This character is influenced by the applied voltage and by the presence of Tl + ions in the bulk of the solution near the surface. As in previously studied systems p-NDMA/Cl - /Ag complexes demonstrate charge transfer excitation which in this case is from the p-NDMA to the Ag site. These results further solidify the importance of complex formation in electrochemical SERS and suggest that caution should be applied when using SERS as a quantitative measure of surface coverage

  7. Composite sampling of a Bacillus anthracis surrogate with cellulose sponge surface samplers from a nonporous surface.

    Directory of Open Access Journals (Sweden)

    Jenia A M Tufts

    Full Text Available A series of experiments was conducted to explore the utility of composite-based collection of surface samples for the detection of a Bacillus anthracis surrogate using cellulose sponge samplers on a nonporous stainless steel surface. Two composite-based collection approaches were evaluated over a surface area of 3716 cm2 (four separate 929 cm2 areas, larger than the 645 cm2 prescribed by the standard Centers for Disease Control (CDC and Prevention cellulose sponge sampling protocol for use on nonporous surfaces. The CDC method was also compared to a modified protocol where only one surface of the sponge sampler was used for each of the four areas composited. Differences in collection efficiency compared to positive controls and the potential for contaminant transfer for each protocol were assessed. The impact of the loss of wetting buffer from the sponge sampler onto additional surface areas sampled was evaluated. Statistical tests of the results using ANOVA indicate that the collection of composite samples using the modified sampling protocol is comparable to the collection of composite samples using the standard CDC protocol (p  =  0.261. Most of the surface-bound spores are collected on the first sampling pass, suggesting that multiple passes with the sponge sampler over the same surface may be unnecessary. The effect of moisture loss from the sponge sampler on collection efficiency was not significant (p  =  0.720 for both methods. Contaminant transfer occurs with both sampling protocols, but the magnitude of transfer is significantly greater when using the standard protocol than when the modified protocol is used (p<0.001. The results of this study suggest that composite surface sampling, by either method presented here, could successfully be used to increase the surface area sampled per sponge sampler, resulting in reduced sampling times in the field and decreased laboratory processing cost and turn-around times.

  8. Fluorographene as a Mass Spectrometry Probe for High-Throughput Identification and Screening of Emerging Chemical Contaminants in Complex Samples.

    Science.gov (United States)

    Huang, Xiu; Liu, Qian; Huang, Xiaoyu; Nie, Zhou; Ruan, Ting; Du, Yuguo; Jiang, Guibin

    2017-01-17

    Mass spectrometry techniques for high-throughput analysis of complex samples are of profound importance in many areas such as food safety, omics studies, and environmental health science. Here we report the use of fluorographene (FG) as a new mass spectrometry probe for high-throughput identification and screening of emerging chemical contaminants in complex samples. FG was facilely synthesized by one-step exfoliation of fluorographite. With FG as a matrix or probe in matrix-assisted or surface-enhanced laser desorption/ionization time-of-flight mass spectrometry (MALDI- or SELDI-TOF MS), higher sensitivity (detection limits at ppt or subppt levels), and better reproducibility were achieved than with other graphene-based materials due to the unique chemical structure and self-assembly properties of FG. The method was validated with different types of real complex samples. By using FG as a SELDI probe, we could easily detect trace amount of bisphenol S in paper products and high-fat canned food samples. Furthermore, we have successfully identified and screened as many as 28 quaternary ammonium halides in sewage sludge samples collected from municipal wastewater treatment plants. These results demonstrate that FG probe is a powerful tool for high-throughput analysis of complex samples by MS.

  9. Study of solid/liquid and solid/gas interfaces in Cu–isoleucine complex by surface X-ray diffraction

    International Nuclear Information System (INIS)

    Ferrer, Pilar; Rubio-Zuazo, Juan; Castro, German R.

    2013-01-01

    The enzymes could be understood like structures formed by amino acids bonded with metals, which act as active sites. The research on the coordination of metal–amino acid complexes will bring light on the behavior of metal enzymes, due to the close relation existing between the atomic structure and the functionality. The Cu–isoleucine bond is considered as a good model system to attain a better insight into the characteristics of naturally occurring copper metalloproteins. The surface structure of metal–amino acid complex could be considered as a more realistic model for real systems under biologic working conditions, since the molecular packing is decreased. In the surface, the structural constrains are reduced, keeping the structural capability of surface complex to change as a function of the surrounding environment. In this work, we present a surface X-ray diffraction study on Cu–isoleucine complex under different ambient conditions. Cu(Ile) 2 crystals of about 5 mm × 5 mm × 1 mm have been growth, by seeding method in a supersaturated solution, presenting a surface of high quality. The sample for the surface diffraction study was mounted on a cell specially designed for solid/liquid or solid/gas interface analysis. The Cu–isoleucine crystal was measured under a protective dry N 2 gas flow and in contact with a saturated metal amino acid solution. The bulk and the surface signals were compared, showing different atomic structures. In both cases, from surface diffraction data, it is observed that the atomic structure of the top layer undergoes a clear structural deformation. A non-uniform surface relaxation is observed producing an inhomogeneous displacement of the surface atoms towards the surface normal.

  10. Surface complexation modeling of zinc sorption onto ferrihydrite.

    Science.gov (United States)

    Dyer, James A; Trivedi, Paras; Scrivner, Noel C; Sparks, Donald L

    2004-02-01

    A previous study involving lead(II) [Pb(II)] sorption onto ferrihydrite over a wide range of conditions highlighted the advantages of combining molecular- and macroscopic-scale investigations with surface complexation modeling to predict Pb(II) speciation and partitioning in aqueous systems. In this work, an extensive collection of new macroscopic and spectroscopic data was used to assess the ability of the modified triple-layer model (TLM) to predict single-solute zinc(II) [Zn(II)] sorption onto 2-line ferrihydrite in NaNO(3) solutions as a function of pH, ionic strength, and concentration. Regression of constant-pH isotherm data, together with potentiometric titration and pH edge data, was a much more rigorous test of the modified TLM than fitting pH edge data alone. When coupled with valuable input from spectroscopic analyses, good fits of the isotherm data were obtained with a one-species, one-Zn-sorption-site model using the bidentate-mononuclear surface complex, (triple bond FeO)(2)Zn; however, surprisingly, both the density of Zn(II) sorption sites and the value of the best-fit equilibrium "constant" for the bidentate-mononuclear complex had to be adjusted with pH to adequately fit the isotherm data. Although spectroscopy provided some evidence for multinuclear surface complex formation at surface loadings approaching site saturation at pH >/=6.5, the assumption of a bidentate-mononuclear surface complex provided acceptable fits of the sorption data over the entire range of conditions studied. Regressing edge data in the absence of isotherm and spectroscopic data resulted in a fair number of surface-species/site-type combinations that provided acceptable fits of the edge data, but unacceptable fits of the isotherm data. A linear relationship between logK((triple bond FeO)2Zn) and pH was found, given by logK((triple bond FeO)2Znat1g/l)=2.058 (pH)-6.131. In addition, a surface activity coefficient term was introduced to the model to reduce the ionic strength

  11. Sampling procedure for lake or stream surface water chemistry

    Science.gov (United States)

    Robert Musselman

    2012-01-01

    Surface waters collected in the field for chemical analyses are easily contaminated. This research note presents a step-by-step detailed description of how to avoid sample contamination when field collecting, processing, and transporting surface water samples for laboratory analysis.

  12. Surface studies of plasma processed Nb samples

    International Nuclear Information System (INIS)

    Tyagi, Puneet V.; Doleans, Marc; Hannah, Brian S.; Afanador, Ralph; Stewart, Stephen; Mammosser, John; Howell, Matthew P; Saunders, Jeffrey W; Degraff, Brian D; Kim, Sang-Ho

    2015-01-01

    Contaminants present at top surface of superconducting radio frequency (SRF) cavities can act as field emitters and restrict the cavity accelerating gradient. A room temperature in-situ plasma processing technology for SRF cavities aiming to clean hydrocarbons from inner surface of cavities has been recently developed at the Spallation Neutron Source (SNS). Surface studies of the plasma-processed Nb samples by Secondary ion mass spectrometry (SIMS) and Scanning Kelvin Probe (SKP) showed that the NeO_2 plasma processing is very effective to remove carbonaceous contaminants from top surface and improves the surface work function by 0.5 to 1.0 eV.

  13. Efficient maximal Poisson-disk sampling and remeshing on surfaces

    KAUST Repository

    Guo, Jianwei; Yan, Dongming; Jia, Xiaohong; Zhang, Xiaopeng

    2015-01-01

    Poisson-disk sampling is one of the fundamental research problems in computer graphics that has many applications. In this paper, we study the problem of maximal Poisson-disk sampling on mesh surfaces. We present a simple approach that generalizes the 2D maximal sampling framework to surfaces. The key observation is to use a subdivided mesh as the sampling domain for conflict checking and void detection. Our approach improves the state-of-the-art approach in efficiency, quality and the memory consumption.

  14. Efficient maximal Poisson-disk sampling and remeshing on surfaces

    KAUST Repository

    Guo, Jianwei

    2015-02-01

    Poisson-disk sampling is one of the fundamental research problems in computer graphics that has many applications. In this paper, we study the problem of maximal Poisson-disk sampling on mesh surfaces. We present a simple approach that generalizes the 2D maximal sampling framework to surfaces. The key observation is to use a subdivided mesh as the sampling domain for conflict checking and void detection. Our approach improves the state-of-the-art approach in efficiency, quality and the memory consumption.

  15. A Geostatistical Approach to Indoor Surface Sampling Strategies

    DEFF Research Database (Denmark)

    Schneider, Thomas; Petersen, Ole Holm; Nielsen, Allan Aasbjerg

    1990-01-01

    Particulate surface contamination is of concern in production industries such as food processing, aerospace, electronics and semiconductor manufacturing. There is also an increased awareness that surface contamination should be monitored in industrial hygiene surveys. A conceptual and theoretical...... framework for designing sampling strategies is thus developed. The distribution and spatial correlation of surface contamination can be characterized using concepts from geostatistical science, where spatial applications of statistics is most developed. The theory is summarized and particulate surface...... contamination, sampled from small areas on a table, have been used to illustrate the method. First, the spatial correlation is modelled and the parameters estimated from the data. Next, it is shown how the contamination at positions not measured can be estimated with kriging, a minimum mean square error method...

  16. Lanthanide complexes as luminogenic probes to measure sulfide levels in industrial samples

    International Nuclear Information System (INIS)

    Thorson, Megan K.; Ung, Phuc; Leaver, Franklin M.; Corbin, Teresa S.; Tuck, Kellie L.; Graham, Bim; Barrios, Amy M.

    2015-01-01

    A series of lanthanide-based, azide-appended complexes were investigated as hydrogen sulfide-sensitive probes. Europium complex 1 and Tb complex 3 both displayed a sulfide-dependent increase in luminescence, while Tb complex 2 displayed a decrease in luminescence upon exposure to NaHS. The utility of the complexes for monitoring sulfide levels in industrial oil and water samples was investigated. Complex 3 provided a sensitive measure of sulfide levels in petrochemical water samples (detection limit ∼ 250 nM), while complex 1 was capable of monitoring μM levels of sulfide in partially refined crude oil. - Highlights: • Lanthanide–azide based sulfide sensors were synthesized and characterized. • The probes have excitation and emission profiles compatible with sulfide-contaminated samples from the petrochemical industry. • A terbium-based probe was used to measure the sulfide concentration in oil refinery wastewater. • A europium-based probe had compatibility with partially refined crude oil samples.

  17. Lanthanide complexes as luminogenic probes to measure sulfide levels in industrial samples

    Energy Technology Data Exchange (ETDEWEB)

    Thorson, Megan K. [Department of Medicinal Chemistry, University of Utah College of Pharmacy, Salt Lake City, UT 84108 (United States); Ung, Phuc [Monash Institute of Pharmaceutical Sciences, Monash University, Victoria 3052 (Australia); Leaver, Franklin M. [Water & Energy Systems Technology, Inc., Kaysville, UT 84037 (United States); Corbin, Teresa S. [Quality Services Laboratory, Tesoro Refining and Marketing, Salt Lake City, UT 84103 (United States); Tuck, Kellie L., E-mail: kellie.tuck@monash.edu [School of Chemistry, Monash University, Victoria 3800 (Australia); Graham, Bim, E-mail: bim.graham@monash.edu [Monash Institute of Pharmaceutical Sciences, Monash University, Victoria 3052 (Australia); Barrios, Amy M., E-mail: amy.barrios@utah.edu [Department of Medicinal Chemistry, University of Utah College of Pharmacy, Salt Lake City, UT 84108 (United States)

    2015-10-08

    A series of lanthanide-based, azide-appended complexes were investigated as hydrogen sulfide-sensitive probes. Europium complex 1 and Tb complex 3 both displayed a sulfide-dependent increase in luminescence, while Tb complex 2 displayed a decrease in luminescence upon exposure to NaHS. The utility of the complexes for monitoring sulfide levels in industrial oil and water samples was investigated. Complex 3 provided a sensitive measure of sulfide levels in petrochemical water samples (detection limit ∼ 250 nM), while complex 1 was capable of monitoring μM levels of sulfide in partially refined crude oil. - Highlights: • Lanthanide–azide based sulfide sensors were synthesized and characterized. • The probes have excitation and emission profiles compatible with sulfide-contaminated samples from the petrochemical industry. • A terbium-based probe was used to measure the sulfide concentration in oil refinery wastewater. • A europium-based probe had compatibility with partially refined crude oil samples.

  18. Hydrogen and fluorine in the surfaces of lunar samples

    International Nuclear Information System (INIS)

    Leich, D.A.; Goldberg, R.H.; Burnett, D.S.; Tombrello, T.A.

    1974-04-01

    The resonant nuclear reaction F-19 (p, alpha gamma)O-16 was used to perform depth sensitive analyses for both fluorine and hydrogen in lunar samples. The resonance at 0.83 MeV (center-of-mass) in this reaction was applied to the measurement of the distribution of trapped solar protons in lunar samples to depths of about 1 / 2 micrometer. These results are interpreted in terms of terrestrial H 2 O surface contamination and a redistribution of the implanted solar H which has been influenced by heavy radiation damage in the surface region. Results are also presented for an experiment to test the penetration of H 2 O into laboratory glass samples which have been irradiated with O-16 to simulate the radiation damaged surfaces of lunar glasses. Fluorine determinations were performed in a 1 pm surface layer on lunar samples using the same F-19(alpha gamma)O-16 resonance. The data are discussed from the standpoint of lunar fluorine and Teflon contamination. (U.S.)

  19. Lessons learned from surface wipe sampling for lead in three workplaces.

    Science.gov (United States)

    Beaucham, Catherine; Ceballos, Diana; King, Bradley

    2017-08-01

    Surface wipe sampling in the occupational environment is a technique widely used by industrial hygienists. Although several organizations have promulgated standards for sampling lead and other metals, uncertainty still exists when trying to determine an appropriate wipe sampling strategy and how to interpret sampling results. Investigators from the National Institute for Occupational Safety and Health (NIOSH) Health Hazard Evaluation Program have used surface wipe sampling as part of their exposure assessment sampling strategies in a wide range of workplaces. This article discusses wipe sampling for measuring lead on surfaces in three facilities: (1) a battery recycling facility; (2) a firing range and gun store; and (3) an electronic scrap recycling facility. We summarize our findings from the facilities and what we learned by integrating wipe sampling into our sampling plan. Wiping sampling demonstrated lead in non-production surfaces in all three workplaces and that the potential that employees were taking lead home to their families existed. We also found that the presence of metals such as tin can interfere with the colorimetric results. We also discuss the advantages and disadvantages of colorimetric analysis of surface wipe samples and the challenges we faced when interpreting wipe sampling results.

  20. Photoelectrochemical etching of gallium nitride surface by complexation dissolution mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Miao-Rong [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China); University of Chinese Academy of Sciences, 100049 Beijing (China); Hou, Fei; Wang, Zu-Gang; Zhang, Shao-Hui [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China); Changchun University of Science and Technology, 130022 Changchun (China); Pan, Ge-Bo, E-mail: gbpan2008@sinano.ac.cn [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China)

    2017-07-15

    Graphical abstract: GaN surface was etched by 0.3 M EDTA-2Na. The proposed complexation dissolution mechanism can be applicable to almost all neutral etchants under the prerequisite of strong light and electric field. - Highlights: • GaN surface was etched by EDTA-2Na. • GaN may be dissolved into EDTA-2Na by forming Ga–EDTA complex. • We propose the complexation dissolution mechanism for the first time. - Abstract: Gallium nitride (GaN) surface was etched by 0.3 M ethylenediamine tetraacetic acid disodium (EDTA-2Na) via photoelectrochemical etching technique. SEM images reveal the etched GaN surface becomes rough and irregular. The pore density is up to 1.9 × 10{sup 9} per square centimeter after simple acid post-treatment. The difference of XPS spectra of Ga 3d, N 1s and O 1s between the non-etched and freshly etched GaN surfaces can be attributed to the formation of Ga–EDTA complex at the etching interface between GaN and EDTA-2Na. The proposed complexation dissolution mechanism can be broadly applicable to almost all neutral etchants under the prerequisite of strong light and electric field. From the point of view of environment, safety and energy, EDTA-2Na has obvious advantages over conventionally corrosive etchants. Moreover, as the further and deeper study of such nearly neutral etchants, GaN etching technology has better application prospect in photoelectric micro-device fabrication.

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

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Huiyuan [Stockbridge School of Agriculture, University of Massachusetts, Amherst, MA 01003 (United States); Xing, Baoshan, E-mail: bx@umass.edu [Stockbridge School of Agriculture, University of Massachusetts, Amherst, MA 01003 (United States); Hamlet, Leigh C.; Chica, Andrea [Stockbridge School of Agriculture, University of Massachusetts, Amherst, MA 01003 (United States); He, Lili, E-mail: lilihe@foodsci.umass.edu [Department of Food Science, University of Massachusetts, Amherst, MA 01003 (United States)

    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 0.1 mg/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. - Graphical abstract: SERS signal intensity of ferbam indicates the concentration of AgNPs. - Highlights: • Ferbam was found to be the best indicator for SERS detection of AgNPs. • SERS was able to detect AgNPs in both environmental and biological samples. • Major components in the two matrices had limited effect on AgNP detection.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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 0.1 mg/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. - Graphical abstract: SERS signal intensity of ferbam indicates the concentration of AgNPs. - Highlights: • Ferbam was found to be the best indicator for SERS detection of AgNPs. • SERS was able to detect AgNPs in both environmental and biological samples. • Major components in the two matrices had limited effect on AgNP detection.

  3. Bounds on the sample complexity for private learning and private data release

    Energy Technology Data Exchange (ETDEWEB)

    Kasiviswanathan, Shiva [Los Alamos National Laboratory; Beime, Amos [BEN-GURION UNIV.; Nissim, Kobbi [BEN-GURION UNIV.

    2009-01-01

    Learning is a task that generalizes many of the analyses that are applied to collections of data, and in particular, collections of sensitive individual information. Hence, it is natural to ask what can be learned while preserving individual privacy. [Kasiviswanathan, Lee, Nissim, Raskhodnikova, and Smith; FOCS 2008] initiated such a discussion. They formalized the notion of private learning, as a combination of PAC learning and differential privacy, and investigated what concept classes can be learned privately. Somewhat surprisingly, they showed that, ignoring time complexity, every PAC learning task could be performed privately with polynomially many samples, and in many natural cases this could even be done in polynomial time. While these results seem to equate non-private and private learning, there is still a significant gap: the sample complexity of (non-private) PAC learning is crisply characterized in terms of the VC-dimension of the concept class, whereas this relationship is lost in the constructions of private learners, which exhibit, generally, a higher sample complexity. Looking into this gap, we examine several private learning tasks and give tight bounds on their sample complexity. In particular, we show strong separations between sample complexities of proper and improper private learners (such separation does not exist for non-private learners), and between sample complexities of efficient and inefficient proper private learners. Our results show that VC-dimension is not the right measure for characterizing the sample complexity of proper private learning. We also examine the task of private data release (as initiated by [Blum, Ligett, and Roth; STOC 2008]), and give new lower bounds on the sample complexity. Our results show that the logarithmic dependence on size of the instance space is essential for private data release.

  4. Rapid surface sampling and archival record system (RSSAR)

    International Nuclear Information System (INIS)

    Barren, E.; Bracco, A.; Dorn, S.B.

    1997-01-01

    Purpose is to develop a rapid surface (concrete, steel) contamination measurement system that will provide a ''quick-look'' indication of contamination areas, an archival record, and an automated analysis. A bulk sampling oven is also being developed. The sampling device consists of a sampling head, a quick look detector, and an archiving system (sorbent tube). The head thermally desorbs semi-volatiles, such as PCBs, oils, etc., from concrete and steel surfaces; the volatilized materials are passed through a quick-look detector. Sensitivity of the detector can be attenuated for various contaminant levels. Volatilized materials are trapped in a tube filled with adsorbent. The tubes are housed in a magazine which also archives information about sampling conditions. Analysis of the tubes can be done at a later date. The concrete sampling head is fitted with a tungsten-halogen lamp; in laboratory experiments it has extracted model contaminants by heating the top 4mm of the surface to 250 C within 100-200 s. The steel sampling head has been tested on different types of steels and has extracted model contaminants within 30 s. A mathematical model of heat and mass transport in concrete has been developed. Rate of contaminant removal is at maximum when the moisture content is about 100 kg/m 3 . The system will be useful during decontamination and decommissioning operations

  5. AFM fluid delivery/liquid extraction surface sampling/electrostatic spray cantilever probe

    Science.gov (United States)

    Van Berkel, Gary J.

    2015-06-23

    An electrospray system comprises a liquid extraction surface sampling probe. The probe comprises a probe body having a liquid inlet and a liquid outlet, and having a liquid extraction tip. A solvent delivery conduit is provided for receiving solvent liquid from the liquid inlet and delivering the solvent liquid to the liquid extraction tip. An open liquid extraction channel extends across an exterior surface of the probe body from the liquid extraction tip to the liquid outlet. An electrospray emitter tip is in liquid communication with the liquid outlet of the liquid extraction surface sampling probe. A system for analyzing samples, a liquid junction surface sampling system, and a method of analyzing samples are also disclosed.

  6. Surface reaction of SnII on goethite (α-FeOOH): surface complexation, redox reaction, reductive dissolution, and phase transformation.

    Science.gov (United States)

    Dulnee, Siriwan; Scheinost, Andreas C

    2014-08-19

    To elucidate the potential risk of (126)Sn migration from nuclear waste repositories, we investigated the surface reactions of Sn(II) on goethite as a function of pH and Sn(II) loading under anoxic condition with O2 level redox state and surface structure were investigated by Sn K edge X-ray absorption spectroscopy (XAS), goethite phase transformations were investigated by high-resolution transmission electron microscopy and selected area electron diffraction. The results demonstrate the rapid and complete oxidation of Sn(II) by goethite and formation of Sn(IV) (1)E and (2)C surface complexes. The contribution of (2)C complexes increases with Sn loading. The Sn(II) oxidation leads to a quantitative release of Fe(II) from goethite at low pH, and to the precipitation of magnetite at higher pH. To predict Sn sorption, we applied surface complexation modeling using the charge distribution multisite complexation approach and the XAS-derived surface complexes. Log K values of 15.5 ± 1.4 for the (1)E complex and 19.2 ± 0.6 for the (2)C complex consistently predict Sn sorption across pH 2-12 and for two different Sn loadings and confirm the strong retention of Sn(II) even under anoxic conditions.

  7. chemical and microbiological assessment of surface water samples

    African Journals Online (AJOL)

    PROF EKWUEME

    were investigated in this study: Nine samples from different surface water bodies, two samples from two effluent sources ... Ezeagu, Udi, Nkanu, Oji River and some parts of Awgu and Aninri ..... Study of Stream Output from Small Catchments.

  8. Surface complexation modeling of Cu(II adsorption on mixtures of hydrous ferric oxide and kaolinite

    Directory of Open Access Journals (Sweden)

    Schaller Melinda S

    2008-09-01

    Full Text Available Abstract Background The application of surface complexation models (SCMs to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids. Results Cu adsorption was measured on pure hydrous ferric oxide (HFO, pure kaolinite (from two sources and in systems containing mixtures of HFO and kaolinite over a wide range of pH, ionic strength, sorbate/sorbent ratios and, for the mixed solid systems, using a range of kaolinite/HFO ratios. Cu adsorption data measured for the HFO and kaolinite systems was used to derive diffuse layer surface complexation models (DLMs describing Cu adsorption. Cu adsorption on HFO is reasonably well described using a 1-site or 2-site DLM. Adsorption of Cu on kaolinite could be described using a simple 1-site DLM with formation of a monodentate Cu complex on a variable charge surface site. However, for consistency with models derived for weaker sorbing cations, a 2-site DLM with a variable charge and a permanent charge site was also developed. Conclusion Component additivity predictions of speciation in mixed mineral systems based on DLM parameters derived for the pure mineral systems were in good agreement with measured data. Discrepancies between the model predictions and measured data were similar to those observed for the calibrated pure mineral systems. The results suggest that quantifying specific interactions between HFO and kaolinite in speciation models may not be necessary. However, before the component additivity approach can be applied to natural sediments and soils, the effects of aging must be further studied and methods must be developed to estimate reactive surface areas of solid constituents in natural samples.

  9. Rapid surface sampling and archival record system

    Energy Technology Data Exchange (ETDEWEB)

    Barren, E.; Penney, C.M.; Sheldon, R.B. [GE Corporate Research and Development Center, Schenectady, NY (United States)] [and others

    1995-10-01

    A number of contamination sites exist in this country where the area and volume of material to be remediated is very large, approaching or exceeding 10{sup 6} m{sup 2} and 10{sup 6} m{sup 3}. Typically, only a small fraction of this material is actually contaminated. In such cases there is a strong economic motivation to test the material with a sufficient density of measurements to identify which portions are uncontaminated, so extensively they be left in place or be disposed of as uncontaminated waste. Unfortunately, since contamination often varies rapidly from position to position, this procedure can involve upwards of one million measurements per site. The situation is complicated further in many cases by the difficulties of sampling porous surfaces, such as concrete. This report describes a method for sampling concretes in which an immediate distinction can be made between contaminated and uncontaminated surfaces. Sample acquisition and analysis will be automated.

  10. Atmospheric pressure surface sampling/ionization techniques for direct coupling of planar separations with mass spectrometry.

    Science.gov (United States)

    Pasilis, Sofie P; Van Berkel, Gary J

    2010-06-18

    Planar separations, which include thin layer chromatography and gel electrophoresis, are in widespread use as important and powerful tools for conducting separations of complex mixtures. To increase the utility of planar separations, new methods are needed that allow in situ characterization of the individual components of the separated mixtures. A large number of atmospheric pressure surface sampling and ionization techniques for use with mass spectrometry have emerged in the past several years, and several have been investigated as a means for mass spectrometric read-out of planar separations. In this article, we review the atmospheric pressure surface sampling and ionization techniques that have been used for the read-out of planar separation media. For each technique, we briefly explain the operational basics and discuss the analyte type for which it is appropriate and some specific applications from the literature. Copyright (c) 2010 Elsevier B.V. All rights reserved.

  11. Symplectic geometry on moduli spaces of holomorphic bundles over complex surfaces

    OpenAIRE

    Khesin, Boris; Rosly, Alexei

    2000-01-01

    We give a comparative description of the Poisson structures on the moduli spaces of flat connections on real surfaces and holomorphic Poisson structures on the moduli spaces of holomorphic bundles on complex surfaces. The symplectic leaves of the latter are classified by restrictions of the bundles to certain divisors. This can be regarded as fixing a "complex analogue of the holonomy" of a connection along a "complex analogue of the boundary" in analogy with the real case.

  12. Application of a surface complexation model to the interactions of Pu and Am with Esk Estuary sediments

    International Nuclear Information System (INIS)

    Turner, D.R.; Knox, S.; Titley, J.G.; Hamilton-Taylor, J.; Kelly, M.; Williams, G.

    1990-10-01

    Previous work has shown that Pu is remobilised from Esk sediments at low salinities of overlying water. A constant capacitance surface complexation model has been developed in order to understand and model the chemical processes occurring. The model is based on detailed chemical characterisation of sediment samples from the estuary. The following measurements were carried out to provide input parameters for the model: specific surface area; total surface sites (tritium exchange); proton and major ion exchange (potentiometric titration); and actinide (Pu and Am) partition coefficient as a function of pH and salinity at sediment and actinide concentrations typical of the Esk. (author)

  13. An intrinsic algorithm for parallel Poisson disk sampling on arbitrary surfaces.

    Science.gov (United States)

    Ying, Xiang; Xin, Shi-Qing; Sun, Qian; He, Ying

    2013-09-01

    Poisson disk sampling has excellent spatial and spectral properties, and plays an important role in a variety of visual computing. Although many promising algorithms have been proposed for multidimensional sampling in euclidean space, very few studies have been reported with regard to the problem of generating Poisson disks on surfaces due to the complicated nature of the surface. This paper presents an intrinsic algorithm for parallel Poisson disk sampling on arbitrary surfaces. In sharp contrast to the conventional parallel approaches, our method neither partitions the given surface into small patches nor uses any spatial data structure to maintain the voids in the sampling domain. Instead, our approach assigns each sample candidate a random and unique priority that is unbiased with regard to the distribution. Hence, multiple threads can process the candidates simultaneously and resolve conflicts by checking the given priority values. Our algorithm guarantees that the generated Poisson disks are uniformly and randomly distributed without bias. It is worth noting that our method is intrinsic and independent of the embedding space. This intrinsic feature allows us to generate Poisson disk patterns on arbitrary surfaces in IR(n). To our knowledge, this is the first intrinsic, parallel, and accurate algorithm for surface Poisson disk sampling. Furthermore, by manipulating the spatially varying density function, we can obtain adaptive sampling easily.

  14. Surface sampling concentration and reaction probe

    Science.gov (United States)

    Van Berkel, Gary J; Elnaggar, Mariam S

    2013-07-16

    A method of analyzing a chemical composition of a specimen is described. The method can include providing a probe comprising an outer capillary tube and an inner capillary tube disposed co-axially within the outer capillary tube, where the inner and outer capillary tubes define a solvent capillary and a sampling capillary in fluid communication with one another at a distal end of the probe; contacting a target site on a surface of a specimen with a solvent in fluid communication with the probe; maintaining a plug volume proximate a solvent-specimen interface, wherein the plug volume is in fluid communication with the probe; draining plug sampling fluid from the plug volume through the sampling capillary; and analyzing a chemical composition of the plug sampling fluid with an analytical instrument. A system for performing the method is also described.

  15. Muscle fatigue and contraction intensity modulates the complexity of surface electromyography.

    Science.gov (United States)

    Cashaback, Joshua G A; Cluff, Tyler; Potvin, Jim R

    2013-02-01

    Nonlinear dynamical techniques offer a powerful approach for the investigation of physiological time series. Multiscale entropy analyses have shown that pathological and aging systems are less complex than healthy systems and this finding has been attributed to degraded physiological control processes. A similar phenomenon may arise during fatiguing muscle contractions where surface electromyography signals undergo temporal and spectral changes that arise from the impaired regulation of muscle force production. Here we examine the affect of fatigue and contraction intensity on the short and long-term complexity of biceps brachii surface electromyography. To investigate, we used an isometric muscle fatigue protocol (parsed into three windows) and three contraction intensities (% of maximal elbow joint moment: 40%, 70% and 100%). We found that fatigue reduced the short-term complexity of biceps brachii activity during the last third of the fatiguing contraction. We also found that the complexity of surface electromyography is dependent on contraction intensity. Our results show that multiscale entropy is sensitive to muscle fatigue and contraction intensity and we argue it is imperative that both factors be considered when evaluating the complexity of surface electromyography signals. Our data contribute to a converging body of evidence showing that multiscale entropy can quantify subtle information content in physiological time series. Copyright © 2012 Elsevier Ltd. All rights reserved.

  16. Sampling informative/complex a priori probability distributions using Gibbs sampling assisted by sequential simulation

    DEFF Research Database (Denmark)

    Hansen, Thomas Mejer; Mosegaard, Klaus; Cordua, Knud Skou

    2010-01-01

    Markov chain Monte Carlo methods such as the Gibbs sampler and the Metropolis algorithm can be used to sample the solutions to non-linear inverse problems. In principle these methods allow incorporation of arbitrarily complex a priori information, but current methods allow only relatively simple...... this algorithm with the Metropolis algorithm to obtain an efficient method for sampling posterior probability densities for nonlinear inverse problems....

  17. New insights on the structure of the picloram-montmorillonite surface complexes.

    Science.gov (United States)

    Marco-Brown, Jose L; Trinelli, María Alcira; Gaigneaux, Eric M; Sánchez, Rosa M Torres; Afonso, María dos Santos

    2015-04-15

    The environmental mobility and bioavailability of Picloram (PCM) are determined by the amine and carboxylate chemical groups interaction with the soils mineral phases. Clay particles, such as montmorillonite (Mt), and the pH value of the media could play an important role in adsorption processes. Thus, the study of the role of soil components other than organic matter deserves further investigation for a more accurate assessment of the risk of groundwater contamination. Samples with PCM adsorbed on Mt dispersions were prepared at pH 3-9. Subsequently, the dispersions were separated, washed, centrifuged and stored at room temperature. Picloram (PCM) herbicide interaction with surface groups of montmorillonite (Mt) was studied using XRD, DTA, FTIR and XPS techniques. The entrance of PCM into the Mt basal space, in two different arrangements, perpendicular and planar, is proposed and the final arrangement depends on PCM concentration. The interaction of PCM with Mt surface sites through the nitrogen of the pyridine ring and carboxylic group of PCM, forming bidentate and bridge inner-sphere complexes was confirmed by FTIR and XPS analysis. The acidity constant of the PCM adsorbed on the Mt surface was calculated. Copyright © 2014 Elsevier Inc. All rights reserved.

  18. Using Complex Auditory-Visual Samples to Produce Emergent Relations in Children with Autism

    Science.gov (United States)

    Groskreutz, Nicole C.; Karsina, Allen; Miguel, Caio F.; Groskreutz, Mark P.

    2010-01-01

    Six participants with autism learned conditional relations between complex auditory-visual sample stimuli (dictated words and pictures) and simple visual comparisons (printed words) using matching-to-sample training procedures. Pre- and posttests examined potential stimulus control by each element of the complex sample when presented individually…

  19. Capacity constrained blue-noise sampling on surfaces

    KAUST Repository

    Zhang, Sen; Guo, Jianwei; Zhang, Hui; Jia, Xiaohong; Yan, Dongming; Yong, Junhai; Wonka, Peter

    2015-01-01

    regularizer of the Centroidal Voronoi Tessellation (CVT) energy, our approach enforces an exact capacity constraint using the restricted power tessellation on surfaces. Our approach is a generalization of the previous 2D blue noise sampling technique using

  20. Surface Resistance Measurements of LHC Dipole Beam Screen Samples

    CERN Document Server

    Caspers, Friedhelm; Ruggiero, F; Tan, J; Tsutsui, H

    2000-01-01

    An estimate of the resistive losses in the LHC dipole beam screen is given from cold surface resistance measurements using the shielded pair technique. Several beam screen samples have been evaluated, with different copper coating methods, including a sample with ribbed surface envisaged to reduce electron cloud losses thanks to its low reflectivity. Experimental data, derived by a proper analysis of the measured Q-factors and including error estimates are compared with theoretical predictions of the anomalous skin effect.

  1. Classification of Surface and Deep Soil Samples Using Linear Discriminant Analysis

    International Nuclear Information System (INIS)

    Wasim, M.; Ali, M.; Daud, M.

    2015-01-01

    A statistical analysis was made of the activity concentrations measured in surface and deep soil samples for natural and anthropogenic gamma-emitting radionuclides. Soil samples were obtained from 48 different locations in Gilgit, Pakistan covering about 50 km/sup 2/ areas at an average altitude of 1550 m above sea level. From each location two samples were collected: one from the top soil (2-6 cm) and another from a depth of 6-10 cm. Four radionuclides including /sup 226/Ra, /sup 232/Th, /sup 40/K and /sup 137/Cs were quantified. The data was analyzed using t-test to find out activity concentration difference between the surface and depth samples. At the surface, the median activity concentrations were 23.7, 29.1, 4.6 and 115 Bq kg/sup -1/ for 226Ra, 232Th, 137Cs and 40K respectively. For the same radionuclides, the activity concentrations were respectively 25.5, 26.2, 2.9 and 191 Bq kg/sup -1/ for the depth samples. Principal component analysis (PCA) was applied to explore patterns within the data. A positive significant correlation was observed between the radionuclides /sup 226/Ra and /sup 232/Th. The data from PCA was further utilized in linear discriminant analysis (LDA) for the classification of surface and depth samples. LDA classified surface and depth samples with good predictability. (author)

  2. COMPLEX SURFACE HARDENING OF STEEL ARTICLES

    Directory of Open Access Journals (Sweden)

    A. V. Kovalchuk

    2014-01-01

    Full Text Available The method of complex surface hardening of steel detailswas designed. The method is a compound of two processes of hardening: chemical heat treatment and physical vapor deposition (PVD of the coating. The result, achieved in this study is much higher, than in other work on this topic and is cumulative. The method designed can be used in mechanical engineering, medicine, energetics and is perspective for military and space technologies.

  3. Transport Powder and Liquid Samples by Surface Acoustic Waves

    Science.gov (United States)

    Bao, Xiaoqi; Bar-Cohen, Yoseph; Sherrit, Stewart; Badescu, Mircea; Louyeh, Sahar

    2009-01-01

    Sample transport is an important requirement for In-situ analysis of samples in NASA planetary exploration missions. Tests have shown that powders or liquid drops on a surface can be transported by surface acoustic waves (SAW) that are generated on the surface using interdigital transducers. The phenomena were investigated experimentally and to generate SAWs interdigital electrodes were deposited on wafers of 128 deg rotated Y-cut LiNbO?. Transporting capability of the SAW device was tested using particles of various sizes and drops of various viscosities liquids. Because of different interaction mechanisms with the SAWs, the powders and the liquid drops were observed to move in opposite directions. In the preliminary tests, a speed of 180 mm/s was achieved for powder transportation. The detailed experimental setup and results are presented in this paper. The transporting mechanism can potentially be applied to miniaturize sample analysis system or " lab-on-chip" devices.

  4. Apparatus for surface treatment of U-Pu carbide fuel samples

    International Nuclear Information System (INIS)

    Fukushima, Susumu; Arai, Yasuo; Handa, Muneo; Ohmichi, Toshihiko; Shiozawa, Ken-ichi.

    1979-05-01

    Apparatus has been constructed for treating the surface of U-Pu carbide fuel samples for EPMA. The treatment is to clean off oxide layer on the surface, then coat with an electric-conductive material. The apparatus, safe in handling plutonium, operates as follows. (1) To avoid oxidation of the analyzing surface by oxygen and water in the air, series of cleaning and coating, i.e. ion-etching and ion-coating or ion-etching and vacuum-evaporation is done at the same time in an inert gas atmosphere. (2) Ion-etching is possible on samples embedded in non-electric-conductive and low heat-conductive resin. (3) Since the temperature rise in (2) is negligible, there is no deterioration of the samples. (author)

  5. Sampling methods for recovery of human enteric viruses from environmental surfaces.

    Science.gov (United States)

    Turnage, Nicole L; Gibson, Kristen E

    2017-10-01

    Acute gastroenteritis causes the second highest infectious disease burden worldwide. Human enteric viruses have been identified as leading causative agents of acute gastroenteritis as well as foodborne illnesses in the U.S. and are generally transmitted by fecal-oral contamination. There is growing evidence of transmission occurring via contaminated fomite including food contact surfaces. Additionally, human enteric viruses have been shown to remain infectious on fomites over prolonged periods of time. To better understand viral persistence, there is a need for more studies to investigate this phenomenon. Therefore, optimization of surface sampling methods is essential to aid in understanding environmental contamination to ensure proper preventative measures are being applied. In general, surface sampling studies are limited and highly variable among recovery efficiencies and research parameters used (e.g., virus type/density, surface type, elution buffers, tools). This review aims to discuss the various factors impacting surface sampling of viruses from fomites and to explore how researchers could move towards a more sensitive and standard sampling method. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Nanoparticles in natural systems I: The effective reactive surface area of the natural oxide fraction in field samples

    Science.gov (United States)

    Hiemstra, Tjisse; Antelo, Juan; Rahnemaie, Rasoul; van Riemsdijk, Willem H.

    2010-01-01

    Information on the particle size and reactive surface area of natural samples is essential for the application of surface complexation models (SCM) to predict bioavailability, toxicity, and transport of elements in the natural environment. In addition, this information will be of great help to enlighten views on the formation, stability, and structure of nanoparticle associations of natural organic matter (NOM) and natural oxide particles. Phosphate is proposed as a natively present probe ion to derive the effective reactive surface area of natural samples. In the suggested method, natural samples are equilibrated (⩾10 days) with 0.5 M NaHCO 3 (pH = 8.5) at various solid-solution ratios. This matrix fixes the pH and ionic strength, suppresses the influence of Ca 2+ and Mg 2+ ions by precipitation these in solid carbonates, and removes NOM due to the addition of activated carbon in excess, collectively leading to the dominance of the PO 4-CO 3 interaction in the system. The data have been interpreted with the charge distribution (CD) model, calibrated for goethite, and the analysis results in an effective reactive surface area (SA) and a reversibly bound phosphate loading Γ for a series of top soils. The oxidic SA varies between about 3-30 m 2/g sample for a large series of representative agricultural top soils. Scaling of our data to the total iron and aluminum oxide content (dithionite-citrate-bicarbonate extractable), results in the specific surface area between about 200-1200 m 2/g oxide for most soils, i.e. the oxide particles are nano-sized with an equivalent diameter in the order of ˜1-10 nm if considered as non-porous spheres. For the top soils, the effective surface area and the soil organic carbon fraction are strongly correlated. The oxide particles are embedded in a matrix of organic carbon (OC), equivalent to ˜1.4 ± 0.2 mg OC/m 2 oxide for many soils of the collection, forming a NOM-mineral nanoparticle association with an average NOM volume

  7. Protocol for Microplastics Sampling on the Sea Surface and Sample Analysis

    Science.gov (United States)

    Kovač Viršek, Manca; Palatinus, Andreja; Koren, Špela; Peterlin, Monika; Horvat, Petra; Kržan, Andrej

    2016-01-01

    Microplastic pollution in the marine environment is a scientific topic that has received increasing attention over the last decade. The majority of scientific publications address microplastic pollution of the sea surface. The protocol below describes the methodology for sampling, sample preparation, separation and chemical identification of microplastic particles. A manta net fixed on an »A frame« attached to the side of the vessel was used for sampling. Microplastic particles caught in the cod end of the net were separated from samples by visual identification and use of stereomicroscopes. Particles were analyzed for their size using an image analysis program and for their chemical structure using ATR-FTIR and micro FTIR spectroscopy. The described protocol is in line with recommendations for microplastics monitoring published by the Marine Strategy Framework Directive (MSFD) Technical Subgroup on Marine Litter. This written protocol with video guide will support the work of researchers that deal with microplastics monitoring all over the world. PMID:28060297

  8. Computer simulation of RBS spectra from samples with surface roughness

    Energy Technology Data Exchange (ETDEWEB)

    Malinský, P., E-mail: malinsky@ujf.cas.cz [Nuclear Physics Institute of the Academy of Sciences of the Czech Republic, v. v. i., 250 68 Rez (Czech Republic); Department of Physics, Faculty of Science, J. E. Purkinje University, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic); Hnatowicz, V., E-mail: hnatowicz@ujf.cas.cz [Nuclear Physics Institute of the Academy of Sciences of the Czech Republic, v. v. i., 250 68 Rez (Czech Republic); Macková, A., E-mail: mackova@ujf.cas.cz [Nuclear Physics Institute of the Academy of Sciences of the Czech Republic, v. v. i., 250 68 Rez (Czech Republic); Department of Physics, Faculty of Science, J. E. Purkinje University, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic)

    2016-03-15

    A fast code for the simulation of common RBS spectra including surface roughness effects has been written and tested on virtual samples comprising either a rough layer deposited on a smooth substrate or smooth layer deposited on a rough substrate and simulated at different geometries. The sample surface or interface relief has been described by a polyline and the simulated RBS spectrum has been obtained as the sum of many particular spectra from randomly chosen particle trajectories. The code includes several procedures generating virtual samples with random and regular (periodical) roughness. The shape of the RBS spectra has been found to change strongly with increasing sample roughness and an increasing angle of the incoming ion beam.

  9. Applicability of surface complexation modelling in TVO's studies on sorption of radionuclides

    International Nuclear Information System (INIS)

    Carlsson, T.

    1994-03-01

    The report focuses on the possibility of applying surface complexation theories to the conditions at a potential repository site in Finland and of doing proper experimental work in order to determine necessary constants for the models. The report provides background information on: (1) what type experiments should be carried out in order to produce data for surface complexation modelling of sorption phenomena under potential Finnish repository conditions, and (2) how to design and perform properly such experiments, in order to gather data, develop models or both. The report does not describe in detail how proper surface complexation experiments or modelling should be carried out. The work contains several examples of information that may be valuable in both modelling and experimental work. (51 refs., 6 figs., 4 tabs.)

  10. Cracks and nanodroplets produced on tungsten surface samples by dense plasma jets

    Science.gov (United States)

    Ticoş, C. M.; Galaţanu, M.; Galaţanu, A.; Luculescu, C.; Scurtu, A.; Udrea, N.; Ticoş, D.; Dumitru, M.

    2018-03-01

    Small samples of 12.5 mm in diameter made from pure tungsten were exposed to a dense plasma jet produced by a coaxial plasma gun operated at 2 kJ. The surface of the samples was analyzed using a scanning electron microscope (SEM) before and after applying consecutive plasma shots. Cracks and craters were produced in the surface due to surface tensions during plasma heating. Nanodroplets and micron size droplets could be observed on the samples surface. An energy-dispersive spectroscopy (EDS) analysis revealed that the composition of these droplets coincided with that of the gun electrode material. Four types of samples were prepared by spark plasma sintering from powders with the average particle size ranging from 70 nanometers up to 80 μm. The plasma power load to the sample surface was estimated to be ≈4.7 MJ m-2 s-1/2 per shot. The electron temperature and density in the plasma jet had peak values 17 eV and 1.6 × 1022 m-3, respectively.

  11. Rapid extraction and assay of uranium from environmental surface samples

    Energy Technology Data Exchange (ETDEWEB)

    Barrett, Christopher A.; Chouyyok, Wilaiwan; Speakman, Robert J.; Olsen, Khris B.; Addleman, Raymond Shane

    2017-10-01

    Extraction methods enabling faster removal and concentration of uranium compounds for improved trace and low-level assay are demonstrated for standard surface sampling material in support of nuclear safeguards efforts, health monitoring, and other nuclear analysis applications. A key problem with the existing surface sampling swipes is the requirement for complete digestion of sample and sampling matrix. This is a time-consuming and labour-intensive process that limits laboratory throughput, elevates costs, and increases background levels. Various extraction methods are explored for their potential to quickly and efficiently remove different chemical forms of uranium from standard surface sampling material. A combination of carbonate and peroxide solutions is shown to give the most rapid and complete form of uranyl compound extraction and dissolution. This rapid extraction process is demonstrated to be compatible with standard inductive coupled plasma mass spectrometry methods for uranium isotopic assay as well as screening techniques such as x-ray fluorescence. The general approach described has application beyond uranium to other analytes of nuclear forensic interest (e.g., rare earth elements and plutonium) as well as heavy metals for environmental and industrial hygiene monitoring.

  12. A method of reconstructing complex stratigraphic surfaces with multitype fault constraints

    Science.gov (United States)

    Deng, Shi-Wu; Jia, Yu; Yao, Xing-Miao; Liu, Zhi-Ning

    2017-06-01

    The construction of complex stratigraphic surfaces is widely employed in many fields, such as petroleum exploration, geological modeling, and geological structure analysis. It also serves as an important foundation for data visualization and visual analysis in these fields. The existing surface construction methods have several deficiencies and face various difficulties, such as the presence of multitype faults and roughness of resulting surfaces. In this paper, a surface modeling method that uses geometric partial differential equations (PDEs) is introduced for the construction of stratigraphic surfaces. It effectively solves the problem of surface roughness caused by the irregularity of stratigraphic data distribution. To cope with the presence of multitype complex faults, a two-way projection algorithm between threedimensional space and a two-dimensional plane is proposed. Using this algorithm, a unified method based on geometric PDEs is developed for dealing with multitype faults. Moreover, the corresponding geometric PDE is derived, and an algorithm based on an evolutionary solution is developed. The algorithm proposed for constructing spatial surfaces with real data verifies its computational efficiency and its ability to handle irregular data distribution. In particular, it can reconstruct faulty surfaces, especially those with overthrust faults.

  13. Interpolating and sampling sequences in finite Riemann surfaces

    OpenAIRE

    Ortega-Cerda, Joaquim

    2007-01-01

    We provide a description of the interpolating and sampling sequences on a space of holomorphic functions on a finite Riemann surface, where a uniform growth restriction is imposed on the holomorphic functions.

  14. Event-triggered synchronization for reaction-diffusion complex networks via random sampling

    Science.gov (United States)

    Dong, Tao; Wang, Aijuan; Zhu, Huiyun; Liao, Xiaofeng

    2018-04-01

    In this paper, the synchronization problem of the reaction-diffusion complex networks (RDCNs) with Dirichlet boundary conditions is considered, where the data is sampled randomly. An event-triggered controller based on the sampled data is proposed, which can reduce the number of controller and the communication load. Under this strategy, the synchronization problem of the diffusion complex network is equivalently converted to the stability of a of reaction-diffusion complex dynamical systems with time delay. By using the matrix inequality technique and Lyapunov method, the synchronization conditions of the RDCNs are derived, which are dependent on the diffusion term. Moreover, it is found the proposed control strategy can get rid of the Zeno behavior naturally. Finally, a numerical example is given to verify the obtained results.

  15. Sorption of trivalent lanthanides and actinides onto montmorillonite: Macroscopic, thermodynamic and structural evidence for ternary hydroxo and carbonato surface complexes on multiple sorption sites.

    Science.gov (United States)

    Fernandes, M Marques; Scheinost, A C; Baeyens, B

    2016-08-01

    The credibility of long-term safety assessments of radioactive waste repositories may be greatly enhanced by a molecular level understanding of the sorption processes onto individual minerals present in the near- and far-fields. In this study we couple macroscopic sorption experiments to surface complexation modelling and spectroscopic investigations, including extended X-ray absorption fine structure (EXAFS) and time-resolved laser fluorescence spectroscopies (TRLFS), to elucidate the uptake mechanism of trivalent lanthanides and actinides (Ln/An(III)) by montmorillonite in the absence and presence of dissolved carbonate. Based on the experimental sorption isotherms for the carbonate-free system, the previously developed 2 site protolysis non electrostatic surface complexation and cation exchange (2SPNE SC/CE) model needed to be complemented with an additional surface complexation reaction onto weak sites. The fitting of sorption isotherms in the presence of carbonate required refinement of the previously published model by reducing the strong site capacity and by adding the formation of Ln/An(III)-carbonato complexes both on strong and weak sites. EXAFS spectra of selected Am samples and TRLFS spectra of selected Cm samples corroborate the model assumptions by showing the existence of different surface complexation sites and evidencing the formation of Ln/An(III) carbonate surface complexes. In the absence of carbonate and at low loadings, Ln/An(III) form strong inner-sphere complexes through binding to three Al(O,OH)6 octahedra, most likely by occupying vacant sites in the octahedral layers of montmorillonite, which are exposed on {010} and {110} edge faces. At higher loadings, Ln/An(III) binds to only one Al octahedron, forming a weaker, edge-sharing surface complex. In the presence of carbonate, we identified a ternary mono- or dicarbonato Ln/An(III) complex binding directly to one Al(O,OH)6 octahedron, revealing that type-A ternary complexes form with the one

  16. High-Throughput and Rapid Screening of Low-Mass Hazardous Compounds in Complex Samples.

    Science.gov (United States)

    Wang, Jing; Liu, Qian; Gao, Yan; Wang, Yawei; Guo, Liangqia; Jiang, Guibin

    2015-07-07

    Rapid screening and identification of hazardous chemicals in complex samples is of extreme importance for public safety and environmental health studies. In this work, we report a new method for high-throughput, sensitive, and rapid screening of low-mass hazardous compounds in complex media without complicated sample preparation procedures. This method is achieved based on size-selective enrichment on ordered mesoporous carbon followed by matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry analysis with graphene as a matrix. The ordered mesoporous carbon CMK-8 can exclude interferences from large molecules in complex samples (e.g., human serum, urine, and environmental water samples) and efficiently enrich a wide variety of low-mass hazardous compounds. The method can work at very low concentrations down to part per trillion (ppt) levels, and it is much faster and more facile than conventional methods. It was successfully applied to rapidly screen and identify unknown toxic substances such as perfluorochemicals in human serum samples from athletes and workers. Therefore, this method not only can sensitively detect target compounds but also can identify unknown hazardous compounds in complex media.

  17. Waste Sampling and Characterization Facility (WSCF) Complex Safety Analysis

    International Nuclear Information System (INIS)

    MELOY, R.T.

    2003-01-01

    The Waste Sampling and Characterization Facility (WSCF) is an analytical laboratory complex on the Hanford Site that was constructed to perform chemical and low-level radiological analyses on a variety of sample media in support of Hanford Site customer needs. The complex is located in the 600 area of the Hanford Site, east of the 200 West Area. Customers include effluent treatment facilities, waste disposal and storage facilities, and remediation projects. Customers primarily need analysis results for process control and to comply with federal, Washington State, and US. Department of Energy (DOE) environmental or industrial hygiene requirements. This document was prepared to analyze the facility for safety consequences and includes the following steps: Determine radionuclide and highly hazardous chemical inventories; Compare these inventories to the appropriate regulatory limits; Document the compliance status with respect to these limits; and Identify the administrative controls necessary to maintain this status

  18. On the relationship between enamel band complexity and occlusal surface area in Equids (Mammalia, Perissodactyla

    Directory of Open Access Journals (Sweden)

    Nicholas A. Famoso

    2016-07-01

    Full Text Available Enamel patterns on the occlusal surfaces of equid teeth are asserted to have tribal-level differences. The most notable example compares the Equini and Hipparionini, where Equini have higher crowned teeth with less enamel-band complexity and less total occlusal enamel than Hipparionini. Whereas previous work has successfully quantified differences in enamel band shape by dividing the length of enamel band by the square root of the occlusal surface area (Occlusal Enamel Index, OEI, it was clear that OEI only partially removes the effect of body size. Because enamel band length scales allometrically, body size still has an influence on OEI, with larger individuals having relatively longer enamel bands than smaller individuals. Fractal dimensionality (D can be scaled to any level, so we have used it to quantify occlusal enamel complexity in a way that allows us to get at an accurate representation of the relationship between complexity and body size. To test the hypothesis of tribal-level complexity differences between Equini and Hipparionini, we digitally traced a sample of 98 teeth, one tooth per individual; 31 Hipparionini and 67 Equini. We restricted our sampling to the P3-M2 to reduce the effect of tooth position. After calculating the D of these teeth with the fractal box method which uses the number of boxes of various sizes to calculate the D of a line, we performed a t-test on the individual values of D for each specimen, comparing the means between the two tribes, and a phylogenetically informed generalized least squares regression (PGLS for each tribe with occlusal surface area as the independent variable and D as the dependent variable. The slopes of both PGLS analyses were compared using a t-test to determine if the same linear relationship existed between the two tribes. The t-test between tribes was significant (p < 0.0001, suggesting different D populations for each lineage. The PGLS for Hipparionini was a positive but not

  19. Technology of magnetic abrasive finishing in machining of difficult-to-machine alloy complex surface

    Directory of Open Access Journals (Sweden)

    Fujian MA

    2016-10-01

    Full Text Available The technology of magnetic abrasive finishing is one of the important finishing technologies. Combining with low-frequency vibration and ultrasonic vibration, it can attain higher precision, quality and efficiency. The characteristics and the related current research of magnetic abrasive finishing, vibration assisted magnetic abrasive finishing and ultrasonic assisted magnetic abrasive finishing are introduced. According to the characteristics of the difficult-to-machine alloy's complex surface, the important problems for further study are presented to realize the finishing of complex surface with the technology of magnetic abrasive finishing, such as increasing the machining efficiency by enhancing the magnetic flux density of machining gap and compounding of magnetic energy and others, establishing of the control function during machining and the process planning method for magnetic abrasive finishing of complex surface under the space geometry restraint of complex surface on magnetic pole, etc.

  20. Gaussian process based intelligent sampling for measuring nano-structure surfaces

    Science.gov (United States)

    Sun, L. J.; Ren, M. J.; Yin, Y. H.

    2016-09-01

    Nanotechnology is the science and engineering that manipulate matters at nano scale, which can be used to create many new materials and devices with a vast range of applications. As the nanotech product increasingly enters the commercial marketplace, nanometrology becomes a stringent and enabling technology for the manipulation and the quality control of the nanotechnology. However, many measuring instruments, for instance scanning probe microscopy, are limited to relatively small area of hundreds of micrometers with very low efficiency. Therefore some intelligent sampling strategies should be required to improve the scanning efficiency for measuring large area. This paper presents a Gaussian process based intelligent sampling method to address this problem. The method makes use of Gaussian process based Bayesian regression as a mathematical foundation to represent the surface geometry, and the posterior estimation of Gaussian process is computed by combining the prior probability distribution with the maximum likelihood function. Then each sampling point is adaptively selected by determining the position which is the most likely outside of the required tolerance zone among the candidates and then inserted to update the model iteratively. Both simulationson the nominal surface and manufactured surface have been conducted on nano-structure surfaces to verify the validity of the proposed method. The results imply that the proposed method significantly improves the measurement efficiency in measuring large area structured surfaces.

  1. Joint body and surface wave tomography applied to the Toba caldera complex (Indonesia)

    Science.gov (United States)

    Jaxybulatov, Kairly; Koulakov, Ivan; Shapiro, Nikolai

    2016-04-01

    We developed a new algorithm for a joint body and surface wave tomography. The algorithm is a modification of the existing LOTOS code (Koulakov, 2009) developed for local earthquake tomography. The input data for the new method are travel times of P and S waves and dispersion curves of Rayleigh and Love waves. The main idea is that the two data types have complementary sensitivities. The body-wave data have good resolution at depth, where we have enough crossing rays between sources and receivers, whereas the surface waves have very good near-surface resolution. The surface wave dispersion curves can be retrieved from the correlations of the ambient seismic noise and in this case the sampled path distribution does not depend on the earthquake sources. The contributions of the two data types to the inversion are controlled by the weighting of the respective equations. One of the clearest cases where such approach may be useful are volcanic systems in subduction zones with their complex magmatic feeding systems that have deep roots in the mantle and intermediate magma chambers in the crust. In these areas, the joint inversion of different types of data helps us to build a comprehensive understanding of the entire system. We apply our algorithm to data collected in the region surrounding the Toba caldera complex (north Sumatra, Indonesia) during two temporary seismic experiments (IRIS, PASSCAL, 1995, GFZ, LAKE TOBA, 2008). We invert 6644 P and 5240 S wave arrivals and ~500 group velocity dispersion curves of Rayleigh and Love waves. We present a series of synthetic tests and real data inversions which show that joint inversion approach gives more reliable results than the separate inversion of two data types. Koulakov, I., LOTOS code for local earthquake tomographic inversion. Benchmarks for testing tomographic algorithms, Bull. seism. Soc. Am., 99(1), 194-214, 2009, doi:10.1785/0120080013

  2. Measurement of complex surfaces

    International Nuclear Information System (INIS)

    Brown, G.M.

    1993-05-01

    Several of the components used in coil fabrication involve complex surfaces and dimensions that are not well suited to measurements using conventional dimensional measuring equipment. Some relatively simple techniques that are in use in the SSCL Magnet Systems Division (MSD) for incoming inspection will be described, with discussion of their suitability for specific applications. Components that are submitted for MSD Quality Assurance (QA) dimensional inspection may be divided into two distinct categories; the first category involves components for which there is an approved drawing and for which all nominal dimensions are known; the second category involves parts for which 'reverse engineering' is required, the part is available but there are no available drawings or dimensions. This second category typically occurs during development of coil end parts and coil turn filler parts where it is necessary to manually shape the part and then measure it to develop the information required to prepare a drawing for the part

  3. Forensic Sampling and Analysis from a Single Substrate: Surface-Enhanced Raman Spectroscopy Followed by Paper Spray Mass Spectrometry.

    Science.gov (United States)

    Fedick, Patrick W; Bills, Brandon J; Manicke, Nicholas E; Cooks, R Graham

    2017-10-17

    Sample preparation is the most common bottleneck in the analysis and processing of forensic evidence. Time-consuming steps in many forensic tests involve complex separations, such as liquid and gas chromatography or various types of extraction techniques, typically coupled with mass spectrometry (e.g., LC-MS). Ambient ionization ameliorates these slow steps by reducing or even eliminating sample preparation. While some ambient ionization techniques have been adopted by the forensic community, there is significant resistance to discarding chromatography as most forensic analyses require both an identification and a confirmation technique. Here, we describe the use of a paper substrate, the surface of which has been inkjet printed with silver nanoparticles, for surface enhanced Raman spectroscopy (SERS). The same substrate can also act as the paper substrate for paper spray mass spectrometry. The coupling of SERS and paper spray ionization creates a quick, forensically feasible combination.

  4. Surface complexation of carbonate on goethite: IR spectroscopy, structure & charge distribution

    NARCIS (Netherlands)

    Hiemstra, T.; Rahnemaie, R.; Riemsdijk, van W.H.

    2004-01-01

    The adsorption of carbonate on goethite has been evaluated, focussing on the relation between the structure of the surface complex and corresponding adsorption characteristics, like pH dependency and proton co-adsorption. The surface structure of adsorbed CO3-2 has been assessed with (1) a

  5. Adventitious Carbon on Primary Sample Containment Metal Surfaces

    Science.gov (United States)

    Calaway, M. J.; Fries, M. D.

    2015-01-01

    Future missions that return astromaterials with trace carbonaceous signatures will require strict protocols for reducing and controlling terrestrial carbon contamination. Adventitious carbon (AC) on primary sample containers and related hardware is an important source of that contamination. AC is a thin film layer or heterogeneously dispersed carbonaceous material that naturally accrues from the environment on the surface of atmospheric exposed metal parts. To test basic cleaning techniques for AC control, metal surfaces commonly used for flight hardware and curating astromaterials at JSC were cleaned using a basic cleaning protocol and characterized for AC residue. Two electropolished stainless steel 316L (SS- 316L) and two Al 6061 (Al-6061) test coupons (2.5 cm diameter by 0.3 cm thick) were subjected to precision cleaning in the JSC Genesis ISO class 4 cleanroom Precision Cleaning Laboratory. Afterwards, the samples were analyzed by X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy.

  6. [Progress in sample preparation and analytical methods for trace polar small molecules in complex samples].

    Science.gov (United States)

    Zhang, Qianchun; Luo, Xialin; Li, Gongke; Xiao, Xiaohua

    2015-09-01

    Small polar molecules such as nucleosides, amines, amino acids are important analytes in biological, food, environmental, and other fields. It is necessary to develop efficient sample preparation and sensitive analytical methods for rapid analysis of these polar small molecules in complex matrices. Some typical materials in sample preparation, including silica, polymer, carbon, boric acid and so on, are introduced in this paper. Meanwhile, the applications and developments of analytical methods of polar small molecules, such as reversed-phase liquid chromatography, hydrophilic interaction chromatography, etc., are also reviewed.

  7. The Pseudomonas aeruginosa chemotaxis methyltransferase CheR1 impacts on bacterial surface sampling.

    Directory of Open Access Journals (Sweden)

    Juliane Schmidt

    Full Text Available The characterization of factors contributing to the formation and development of surface-associated bacterial communities known as biofilms has become an area of intense interest since biofilms have a major impact on human health, the environment and industry. Various studies have demonstrated that motility, including swimming, swarming and twitching, seems to play an important role in the surface colonization and establishment of structured biofilms. Thereby, the impact of chemotaxis on biofilm formation has been less intensively studied. Pseudomonas aeruginosa has a very complex chemosensory system with two Che systems implicated in flagella-mediated motility. In this study, we demonstrate that the chemotaxis protein CheR1 is a methyltransferase that binds S-adenosylmethionine and transfers a methyl group from this methyl donor to the chemoreceptor PctA, an activity which can be stimulated by the attractant serine but not by glutamine. We furthermore demonstrate that CheR1 does not only play a role in flagella-mediated chemotaxis but that its activity is essential for the formation and maintenance of bacterial biofilm structures. We propose a model in which motility and chemotaxis impact on initial attachment processes, dispersion and reattachment and increase the efficiency and frequency of surface sampling in P. aeruginosa.

  8. Randomization-Based Inference about Latent Variables from Complex Samples: The Case of Two-Stage Sampling

    Science.gov (United States)

    Li, Tiandong

    2012-01-01

    In large-scale assessments, such as the National Assessment of Educational Progress (NAEP), plausible values based on Multiple Imputations (MI) have been used to estimate population characteristics for latent constructs under complex sample designs. Mislevy (1991) derived a closed-form analytic solution for a fixed-effect model in creating…

  9. 40 CFR 761.306 - Sampling 1 meter square surfaces by random selection of halves.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Sampling 1 meter square surfaces by...(b)(3) § 761.306 Sampling 1 meter square surfaces by random selection of halves. (a) Divide each 1 meter square portion where it is necessary to collect a surface wipe test sample into two equal (or as...

  10. Physicochemical transformation and algal toxicity of engineered nanoparticles in surface water samples

    International Nuclear Information System (INIS)

    Zhang, Luqing; Li, Jingyi; Yang, Kun; Liu, Jingfu; Lin, Daohui

    2016-01-01

    Most studies on the behavior and toxicity of engineered nanoparticles (NPs) have been conducted in artificial water with well-controlled conditions, which are dramatically different from natural waters with complex compositions. To better understand the fate and toxicity of NPs in the natural water environment, physicochemical transformations of four NPs (TiO_2, ZnO, Ag, and carbon nanotubes (CNTs)) and their toxicities towards a unicellular green alga (Chlorella pyrenoidosa) in four fresh water and one seawater sample were investigated. Results indicated that water chemistry had profound effects on aggregation, dissolution, and algal toxicity of the NPs. The strongest homoaggregation of the NPs was associated with the highest ionic strength, but no obvious correlation was observed between the homoaggregation of NPs and pH or dissolved organic matter content of the water samples. The greatest dissolution of ZnO NPs also occurred in seawater with the highest ionic strength, while the dissolution of Ag NPs varied differently from ZnO NPs. The released Zn"2"+ and especially Ag"+ mainly accounted for the algal toxicity of ZnO and Ag NPs, respectively. The NP-cell heteroagglomeration occurred generally for CNTs and Ag NPs, which contributed to the observed nanotoxicity. However, there was no significant correlation between the observed nanotoxicity and the type of NP or the water chemistry. It was thus concluded that the physicochemical transformations and algal toxicities of NPs in the natural water samples were caused by the combined effects of complex water quality parameters rather than any single influencing factor alone. These results will increase our knowledge on the fate and effects of NPs in the aquatic environment. - Highlights: • Transformation and algal toxicity of four NPs in five surface water samples were studied. • The transformation and toxicity were dependent on the types of NPs and water samples. • No single water parameter alone was

  11. An Intrinsic Algorithm for Parallel Poisson Disk Sampling on Arbitrary Surfaces.

    Science.gov (United States)

    Ying, Xiang; Xin, Shi-Qing; Sun, Qian; He, Ying

    2013-03-08

    Poisson disk sampling plays an important role in a variety of visual computing, due to its useful statistical property in distribution and the absence of aliasing artifacts. While many effective techniques have been proposed to generate Poisson disk distribution in Euclidean space, relatively few work has been reported to the surface counterpart. This paper presents an intrinsic algorithm for parallel Poisson disk sampling on arbitrary surfaces. We propose a new technique for parallelizing the dart throwing. Rather than the conventional approaches that explicitly partition the spatial domain to generate the samples in parallel, our approach assigns each sample candidate a random and unique priority that is unbiased with regard to the distribution. Hence, multiple threads can process the candidates simultaneously and resolve conflicts by checking the given priority values. It is worth noting that our algorithm is accurate as the generated Poisson disks are uniformly and randomly distributed without bias. Our method is intrinsic in that all the computations are based on the intrinsic metric and are independent of the embedding space. This intrinsic feature allows us to generate Poisson disk distributions on arbitrary surfaces. Furthermore, by manipulating the spatially varying density function, we can obtain adaptive sampling easily.

  12. Modeling the surface tension of complex, reactive organic-inorganic mixtures

    Science.gov (United States)

    Schwier, A. N.; Viglione, G. A.; Li, Z.; McNeill, V. Faye

    2013-11-01

    Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as heterogeneous reactivity, ice nucleation, and cloud droplet formation. We present new experimental data for the surface tension of complex, reactive organic-inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2-6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two semi-empirical surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well described by a weighted Szyszkowski-Langmuir (S-L) model which was first presented by Henning et al. (2005). Two approaches for modeling the effects of salt were tested: (1) the Tuckermann approach (an extension of the Henning model with an additional explicit salt term), and (2) a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2) for surface tension modeling of aerosol systems because the Henning model (using data obtained from organic-inorganic systems) and Tuckermann approach provide similar modeling results and goodness-of-fit (χ2) values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.

  13. Toroidal surface complexes of bacteriophage φ12 are responsible for host-cell attachment

    International Nuclear Information System (INIS)

    Leo-Macias, Alejandra; Katz, Garrett; Wei Hui; Alimova, Alexandra; Katz, A.; Rice, William J.; Diaz-Avalos, Ruben; Hu Guobin; Stokes, David L.; Gottlieb, Paul

    2011-01-01

    Cryo-electron tomography and subtomogram averaging are utilized to determine that the bacteriophage φ12, a member of the Cystoviridae family, contains surface complexes that are toroidal in shape, are composed of six globular domains with six-fold symmetry, and have a discrete density connecting them to the virus membrane-envelope surface. The lack of this kind of spike in a reassortant of φ12 demonstrates that the gene for the hexameric spike is located in φ12's medium length genome segment, likely to the P3 open reading frames which are the proteins involved in viral-host cell attachment. Based on this and on protein mass estimates derived from the obtained averaged structure, it is suggested that each of the globular domains is most likely composed of a total of four copies of P3a and/or P3c proteins. Our findings may have implications in the study of the evolution of the cystovirus species in regard to their host specificity. - Research Highlights: → Subtomogram averaging reveals enhanced detail of a φ12 cystovirus surface protein complex. → The surface protein complex has a toroidal shape and six-fold symmetry. → It is encoded by the medium-size genome segment. → The proteins of the surface complex most likely are one copy of P3a and three copies of P3c.

  14. Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

    Science.gov (United States)

    Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-12-01

    Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

  15. Determination of B-complex vitamins in pharmaceutical formulations by surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Junior, Benedito Roberto Alvarenga; Soares, Frederico Luis Felipe; Ardila, Jorge Armando; Durango, Luis Guillermo Cuadrado; Forim, Moacir Rossi; Carneiro, Renato Lajarim

    2018-01-01

    The aim of this work was to quantify B-complex vitamins in pharmaceutical samples by surface enhanced Raman spectroscopy technique using gold colloid substrate. Synthesis of gold nanoparticles was performed according to an adapted Turkevich method. Initial essays were able to suggest the orientation of molecules on gold nanoparticles surface. Central Composite design was performed to obtain the highest SERS signal for nicotinamide and riboflavin. The evaluated parameters in the experimental design were volume of AuNPs, concentration of vitamins and sodium chloride concentration. The best condition for nicotinamide was NaCl 2.3 × 10- 3 mol L- 1 and 700 μL of AuNPs colloid and this same condition showed to be adequate to quantify thiamine. The experimental design for riboflavin shows the best condition at NaCl 1.15 × 10- 2 mol L- 1 and 2.8 mL of AuNPs colloid. It was possible to quantify thiamine and nicotinamide in presence of others vitamins and excipients in two solid multivitamin formulations using the standard addition procedure. The standard addition curve presented a R2 higher than 0.96 for both nicotinamide and thiamine, at orders of magnitude 10- 7 and 10- 8 mol L- 1, respectively. The nicotinamide content in a cosmetic gel sample was also quantified by direct analysis presenting R2 0.98. The t-student test presented no significant difference regarding HPLC method. Despite the experimental design performed for riboflavin, it was not possible its quantification in the commercial samples.

  16. Sampling and analysis plan for sampling of liquid waste streams generated by 222-S Laboratory Complex operations

    International Nuclear Information System (INIS)

    Benally, A.B.

    1997-01-01

    This Sampling and Analysis Plan (SAP) establishes the requirements and guidelines to be used by the Waste Management Federal Services of Hanford, Inc. personnel in characterizing liquid waste generated at the 222-S Laboratory Complex. The characterization process to verify the accuracy of process knowledge used for designation and subsequent management of wastes consists of three steps: to prepare the technical rationale and the appendix in accordance with the steps outlined in this SAP; to implement the SAP by sampling and analyzing the requested waste streams; and to compile the report and evaluate the findings to the objectives of this SAP. This SAP applies to portions of the 222-S Laboratory Complex defined as Generator under the Resource Conservation and Recovery Act (RCRA). Any portion of the 222-S Laboratory Complex that is defined or permitted under RCRA as a treatment, storage, or disposal (TSD) facility is excluded from this document. This SAP applies to the liquid waste generated in the 222-S Laboratory Complex. Because the analytical data obtained will be used to manage waste properly, including waste compatibility and waste designation, this SAP will provide directions for obtaining and maintaining the information as required by WAC173-303

  17. Self-Organization during Friction in Complex Surface Engineered Tribosystems

    Directory of Open Access Journals (Sweden)

    Ben D. Beake

    2010-02-01

    Full Text Available Self-organization during friction in complex surface engineered tribosystems is investigated. The probability of self-organization in these complex tribosystems is studied on the basis of the theoretical concepts of irreversible thermodynamics. It is shown that a higher number of interrelated processes within the system result in an increased probability of self-organization. The results of this thermodynamic model are confirmed by the investigation of the wear performance of a novel Ti0.2Al0.55Cr0.2Si0.03Y0.02N/Ti0.25Al0.65Cr0.1N (PVD coating with complex nano-multilayered structure under extreme tribological conditions of dry high-speed end milling of hardened H13 tool steel.

  18. A new sampling technique for surface exposure dating using a portable electric rock cutter

    Directory of Open Access Journals (Sweden)

    Yusuke Suganuma

    2012-07-01

    Full Text Available Surface exposure dating using in situ cosmogenic nuclides has contributed to our understanding of Earth-surface processes. The precision of the ages estimated by this method is affected by the sample geometry; therefore, high accuracy measurements of the thickness and shape of the rock sample (thickness and shape is crucial. However, it is sometimes diffi cult to meet these requirements by conventional sampling methods with a hammer and chisel. Here, we propose a new sampling technique using a portable electric rock cutter. This sampling technique is faster, produces more precisely shaped samples, and allows for a more precise age interpretation. A simple theoretical modeldemonstrates that the age error due to defective sample geometry increases as the total sample thickness increases, indicating the importance of precise sampling for surface exposure dating.

  19. Ultraviolet photoemission spectroscopy of hydrogen complex deactivation on InP:Zn(1 0 0) surfaces

    International Nuclear Information System (INIS)

    Williams, M.D.; Williams, S.C.; Yasharahla, S.A.; Jallow, N.

    2007-01-01

    Ultraviolet photoemission spectroscopy is used to study the kinetics of the H-Zn complex deactivation in Zn doped InP(1 0 0). Hydrogen injected into the material electronically passivates the local carrier concentration. Reverse-biased anneals of the InP under ultra-high vacuum show a dramatic change in the work function of the material with increasing temperature. Spectral features are also shown to be sensitive to sample temperature. To our knowledge, we show the first view of hydrogen retrapping at the surface using photoemission spectroscopy. A simple photoelectron threshold energy analysis shows the state of charge compensation of the material

  20. A binary logistic regression model with complex sampling design of ...

    African Journals Online (AJOL)

    2017-09-03

    Sep 3, 2017 ... Bi-variable and multi-variable binary logistic regression model with complex sampling design was fitted. .... Data was entered into STATA-12 and analyzed using. SPSS-21. .... lack of access/too far or costs too much. 35. 1.2.

  1. Sampling Transition Pathways in Highly Correlated Complex Systems

    Energy Technology Data Exchange (ETDEWEB)

    Chandler, David

    2004-10-20

    This research grant supported my group's efforts to apply and extend the method of transition path sampling that we invented during the late 1990s. This methodology is based upon a statistical mechanics of trajectory space. Traditional statistical mechanics focuses on state space, and with it, one can use Monte Carlo methods to facilitate importance sampling of states. With our formulation of a statistical mechanics of trajectory space, we have succeeded at creating algorithms by which importance sampling can be done for dynamical processes. In particular, we are able to study rare but important events without prior knowledge of transition states or mechanisms. In perhaps the most impressive application of transition path sampling, my group combined forces with Michele Parrinello and his coworkers to unravel the dynamics of auto ionization of water [5]. This dynamics is the fundamental kinetic step of pH. Other applications concern nature of dynamics far from equilibrium [1, 7], nucleation processes [2], cluster isomerization, melting and dissociation [3, 6], and molecular motors [10]. Research groups throughout the world are adopting transition path sampling. In part this has been the result of our efforts to provide pedagogical presentations of the technique [4, 8, 9], as well as providing new procedures for interpreting trajectories of complex systems [11].

  2. Cork-resin ablative insulation for complex surfaces and method for applying the same

    Science.gov (United States)

    Walker, H. M.; Sharpe, M. H.; Simpson, W. G. (Inventor)

    1980-01-01

    A method of applying cork-resin ablative insulation material to complex curved surfaces is disclosed. The material is prepared by mixing finely divided cork with a B-stage curable thermosetting resin, forming the resulting mixture into a block, B-stage curing the resin-containing block, and slicing the block into sheets. The B-stage cured sheet is shaped to conform to the surface being insulated, and further curing is then performed. Curing of the resins only to B-stage before shaping enables application of sheet material to complex curved surfaces and avoids limitations and disadvantages presented in handling of fully cured sheet material.

  3. Surface complexation of neptunium (V) onto whole cells and cell componets of Shewanella alga

    Energy Technology Data Exchange (ETDEWEB)

    Reed, Donald Timothy [Los Alamos National Laboratory; Deo, Randhir P [ASU; Rittmann, Bruce E [ASU; Songkasiri, Warinthorn [UNAFFILIATED

    2008-01-01

    We systematically quantified surface complexation of neptunium(V) onto whole cells of Shewanella alga strain BrY and onto cell wall and extracellular polymeric substances (EPS) of S. alga. We first performed acid and base titrations and used the mathematical model FITEQL with constant-capacitance surface-complexation to determine the concentrations and deprotonation constants of specific surface functional groups. Deprotonation constants most likely corresponded to a carboxyl site associated with amino acids (pK{sub a} {approx} 2.4), a carboxyl group not associated with amino acids (pK{sub a} {approx} 5), a phosphoryl site (pK{sub a} {approx} 7.2), and an amine site (pK{sub a} > 10). We then carried out batch sorption experiments with Np(V) and each of the S. alga components at different pHs. Results show that solution pH influenced the speciation of Np(V) and each of the surface functional groups. We used the speciation sub-model of the biogeochemical model CCBATCH to compute the stability constants for Np(V) complexation to each surface functional group. The stability constants were similar for each functional group on S. alga bacterial whole cells, cell walls, and EPS, and they explain the complicated sorption patterns when they are combined with the aqueous-phase speciation of Np(V). For pH < 8, NpO{sub 2}{sup +} was the dominant form of Np(V), and its log K values for the low-pK{sub a} carboxyl, other carboxyl, and phosphoryl groups were 1.75, 1.75, and 2.5 to 3.1, respectively. For pH greater than 8, the key surface ligand was amine >XNH3+, which complexed with NpO{sub 2}(CO{sub 3}){sub 3}{sup 5-}. The log K for NpO{sub 2}(CO{sub 3}){sub 3}{sup 5-} complexed onto the amine groups was 3.1 to 3.6. All of the log K values are similar to those of Np(V) complexes with aqueous carboxyl and N-containing carboxyl ligands. These results point towards the important role of surface complexation in defining key actinide-microbiological interactions in the subsurface.

  4. Quality-control design for surface-water sampling in the National Water-Quality Network

    Science.gov (United States)

    Riskin, Melissa L.; Reutter, David C.; Martin, Jeffrey D.; Mueller, David K.

    2018-04-10

    The data-quality objectives for samples collected at surface-water sites in the National Water-Quality Network include estimating the extent to which contamination, matrix effects, and measurement variability affect interpretation of environmental conditions. Quality-control samples provide insight into how well the samples collected at surface-water sites represent the true environmental conditions. Quality-control samples used in this program include field blanks, replicates, and field matrix spikes. This report describes the design for collection of these quality-control samples and the data management needed to properly identify these samples in the U.S. Geological Survey’s national database.

  5. Adsorption of uranium(VI) to manganese oxides: X-ray absorption spectroscopy and surface complexation modeling.

    Science.gov (United States)

    Wang, Zimeng; Lee, Sung-Woo; Catalano, Jeffrey G; Lezama-Pacheco, Juan S; Bargar, John R; Tebo, Bradley M; Giammar, Daniel E

    2013-01-15

    The mobility of hexavalent uranium in soil and groundwater is strongly governed by adsorption to mineral surfaces. As strong naturally occurring adsorbents, manganese oxides may significantly influence the fate and transport of uranium. Models for U(VI) adsorption over a broad range of chemical conditions can improve predictive capabilities for uranium transport in the subsurface. This study integrated batch experiments of U(VI) adsorption to synthetic and biogenic MnO(2), surface complexation modeling, ζ-potential analysis, and molecular-scale characterization of adsorbed U(VI) with extended X-ray absorption fine structure (EXAFS) spectroscopy. The surface complexation model included inner-sphere monodentate and bidentate surface complexes and a ternary uranyl-carbonato surface complex, which was consistent with the EXAFS analysis. The model could successfully simulate adsorption results over a broad range of pH and dissolved inorganic carbon concentrations. U(VI) adsorption to synthetic δ-MnO(2) appears to be stronger than to biogenic MnO(2), and the differences in adsorption affinity and capacity are not associated with any substantial difference in U(VI) coordination.

  6. Chemometric and Statistical Analyses of ToF-SIMS Spectra of Increasingly Complex Biological Samples

    Energy Technology Data Exchange (ETDEWEB)

    Berman, E S; Wu, L; Fortson, S L; Nelson, D O; Kulp, K S; Wu, K J

    2007-10-24

    Characterizing and classifying molecular variation within biological samples is critical for determining fundamental mechanisms of biological processes that will lead to new insights including improved disease understanding. Towards these ends, time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to examine increasingly complex samples of biological relevance, including monosaccharide isomers, pure proteins, complex protein mixtures, and mouse embryo tissues. The complex mass spectral data sets produced were analyzed using five common statistical and chemometric multivariate analysis techniques: principal component analysis (PCA), linear discriminant analysis (LDA), partial least squares discriminant analysis (PLSDA), soft independent modeling of class analogy (SIMCA), and decision tree analysis by recursive partitioning. PCA was found to be a valuable first step in multivariate analysis, providing insight both into the relative groupings of samples and into the molecular basis for those groupings. For the monosaccharides, pure proteins and protein mixture samples, all of LDA, PLSDA, and SIMCA were found to produce excellent classification given a sufficient number of compound variables calculated. For the mouse embryo tissues, however, SIMCA did not produce as accurate a classification. The decision tree analysis was found to be the least successful for all the data sets, providing neither as accurate a classification nor chemical insight for any of the tested samples. Based on these results we conclude that as the complexity of the sample increases, so must the sophistication of the multivariate technique used to classify the samples. PCA is a preferred first step for understanding ToF-SIMS data that can be followed by either LDA or PLSDA for effective classification analysis. This study demonstrates the strength of ToF-SIMS combined with multivariate statistical and chemometric techniques to classify increasingly complex biological samples

  7. Adaptive Sampling based 3D Profile Measuring Method for Free-Form Surface

    Science.gov (United States)

    Duan, Xianyin; Zou, Yu; Gao, Qiang; Peng, Fangyu; Zhou, Min; Jiang, Guozhang

    2018-03-01

    In order to solve the problem of adaptability and scanning efficiency of the current surface profile detection device, a high precision and high efficiency detection approach is proposed for surface contour of free-form surface parts based on self- adaptability. The contact mechanical probe and the non-contact laser probe are synthetically integrated according to the sampling approach of adaptive front-end path detection. First, the front-end path is measured by the non-contact laser probe, and the detection path is planned by the internal algorithm of the measuring instrument. Then a reasonable measurement sampling is completed according to the planned path by the contact mechanical probe. The detection approach can effectively improve the measurement efficiency of the free-form surface contours and can simultaneously detect the surface contours of unknown free-form surfaces with different curvatures and even different rate of curvature. The detection approach proposed in this paper also has important reference value for free-form surface contour detection.

  8. Infrared surface analysis using a newly developed thin-sample preparation system.

    Science.gov (United States)

    Nagai, Naoto; Nishiyama, Itsuo; Kishima, Yoshio; Iida, Katsuhiko; Mori, Koichi

    2009-01-01

    We developed a new sampling system, the Nano Catcher, for measuring the surface chemical structure of polymers or industrial products and we evaluated the performance of the system. The system can directly pick up surface species whose depth is on the order of approximately 100 nm and can easily provide a sample for a Fourier transform infrared (FT-IR) system without the necessity of passing it over to a measurement plate. The FT-IR reflection data obtained from the Nano Catcher were compared with those obtained using the attenuated total reflection (ATR) method and sampling by hand. Chemical structural analysis of a depth region from a few tens of nanometers to a few hundred nanometers can be directly performed using this system. Such depths are beyond the scope of conventional X-ray photoelectron spectroscopy (XPS) and ATR methods. We can expect the use of the Nano Catcher system to lead to a great improvement in the detection of signals of surface species in these depth regions.

  9. Utilizing Raman Spectroscopy and Surface-Enhanced Raman Spectroscopy to investigate healthy and cancerous colon samples

    International Nuclear Information System (INIS)

    Barzegar, A.; Rezaei, H.; Malekfar, R.

    2012-01-01

    In this study, spontaneous Raman scattering and surface-enhanced Raman scattering, Surface-Enhanced Raman Spectroscopy spectra have been investigated. The samples which were kept in the formalin solution selected from the human's healthy and cancerous colon tissues. The Surface-Enhanced Raman Spectroscopy spectra were collected by adding colloidal solution contained silver nanoparticles to the top of the samples. The recorded spectra were compared for the spontaneous Raman spectra of healthy and cancerous colon samples. The spontaneous and surface enhanced Raman scattering data were also collected and compared for both healthy and damaged samples.

  10. Zinc surface complexes on birnessite: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Kideok D.; Refson, Keith; Sposito, Garrison

    2009-01-05

    Biogeochemical cycling of zinc is strongly influenced by sorption on birnessite minerals (layer-type MnO2), which are found in diverse terrestrial and aquatic environments. Zinc has been observed to form both tetrahedral (Zn{sup IV}) and octahedral (Zn{sup VI}) triple-corner-sharing surface complexes (TCS) at Mn(IV) vacancy sites in hexagonal birnessite. The octahedral complex is expected to be similar to that of Zn in the Mn oxide mineral, chalcophanite (ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O), but the reason for the occurrence of the four-coordinate Zn surface species remains unclear. We address this issue computationally using spin-polarized Density Functional Theory (DFT) to examine the Zn{sub IV}-TCS and Zn{sup VI}-TCS species. Structural parameters obtained by DFT geometry optimization were in excellent agreement with available experimental data on Zn-birnessites. Total energy, magnetic moments, and electron-overlap populations obtained by DFT for isolated Zn{sup IV}-TCS revealed that this species is stable in birnessite without a need for Mn(III) substitution in the octahedral sheet and that it is more effective in reducing undersaturation of surface O at a Mn vacancy than is Zn{sub VI}-TCS. Comparison between geometry-optimized ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O (chalcophanite) and the hypothetical monohydrate mineral, ZnMn{sub 3}O{sub 7} {center_dot} H{sub 2}O, which contains only tetrahedral Zn, showed that the hydration state of Zn significantly affects birnessite structural stability. Finally, our study also revealed that, relative to their positions in an ideal vacancy-free MnO{sub 2}, Mn nearest to Zn in a TCS surface complex move toward the vacancy by 0.08-0.11 {angstrom}, while surface O bordering the vacancy move away from it by 0.16-0.21 {angstrom}, in agreement with recent X-ray absorption spectroscopic analyses.

  11. Indirect competitive immunoassay for the detection of fungicide Thiabendazole in whole orange samples by Surface Plasmon Resonance.

    Science.gov (United States)

    Estevez, M-Carmen; Belenguer, Jose; Gomez-Montes, Silvia; Miralles, Javier; Escuela, Alfonso M; Montoya, Angel; Lechuga, Laura M

    2012-12-07

    A highly sensitive and specific SPR-based competitive immunoassay for the detection of Thiabendazole (TBZ) has been developed. An indirect format where a TBZ-protein conjugate is immobilized onto gold surfaces has been selected. Under the optimal conditions, a LOD of 0.67 nM (0.13 μg L(-1)) and an IC(50) of 3.2 nM (0.64 μg L(-1)) have been achieved which are comparable to the values obtained by conventional ELISA. Analysis of real samples has been attempted by first evaluating the influence of complex matrix samples coming from whole oranges and secondly measuring samples containing TBZ previously evaluated by chromatographic methods. A methanolic extraction procedure followed by a simple dilution in assay buffer has proven to be sufficient to measure orange samples using the developed immunoassay with an excellent recovery percentage. The sensitivity and the feasibility of measuring whole orange samples demonstrate the effectiveness and robustness of the SPR biosensor, which can be useful for the determination of TBZ in food at concentrations below the Maximum Residue Levels (MRLs) established by the European legislation.

  12. Improved explosive collection and detection with rationally assembled surface sampling materials

    Energy Technology Data Exchange (ETDEWEB)

    Chouyyok, Wilaiwan; Bays, J. Timothy; Gerasimenko, Aleksandr A.; Cinson, Anthony D.; Ewing, Robert G.; Atkinson, David A.; Addleman, R. Shane

    2016-01-01

    Sampling and detection of trace explosives is a key analytical process in modern transportation safety. In this work we have explored some of the fundamental analytical processes for collection and detection of trace level explosive on surfaces with the most widely utilized system, thermal desorption IMS. The performance of the standard muslin swipe material was compared with chemically modified fiberglass cloth. The fiberglass surface was modified to include phenyl functional groups. When compared to standard muslin, the phenyl functionalized fiberglass sampling material showed better analyte release from the sampling material as well as improved response and repeatability from multiple uses of the same swipe. The improved sample release of the functionalized fiberglass swipes resulted in a significant increase in sensitivity. Various physical and chemical properties were systematically explored to determine optimal performance. The results herein have relevance to improving the detection of other explosive compounds and potentially to a wide range of other chemical sampling and field detection challenges.

  13. Surface complexation of selenite on goethite: MO/DFT geometry and charge distribution

    NARCIS (Netherlands)

    Hiemstra, T.; Rietra, R.P.J.J.; Riemsdijk, van W.H.

    2007-01-01

    The adsorption of selenite on goethite (alpha-FeOOH) has been analyzed with the charge distribution (CD) and the multi-site surface complexation (MUSIC) model being combined with an extended Stem (ES) layer model option. The geometry of a set of different types of hydrated iron-selenite complexes

  14. Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration

    Directory of Open Access Journals (Sweden)

    Giuliano Marchi

    2015-10-01

    Full Text Available ABSTRACT Intrinsic equilibrium constants of 17 representative Brazilian Oxisols were estimated from potentiometric titration measuring the adsorption of H+ and OH− on amphoteric surfaces in suspensions of varying ionic strength. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. The former was fitted by calculating total site concentration from curve fitting estimates and pH-extrapolation of the intrinsic equilibrium constants to the PZNPC (hand calculation, considering one and two reactive sites, and by the FITEQL software. The latter was fitted only by FITEQL, with one reactive site. Soil chemical and physical properties were correlated to the intrinsic equilibrium constants. Both surface complexation models satisfactorily fit our experimental data, but for results at low ionic strength, optimization did not converge in FITEQL. Data were incorporated in Visual MINTEQ and they provide a modeling system that can predict protonation-dissociation reactions in the soil surface under changing environmental conditions.

  15. Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation

    Energy Technology Data Exchange (ETDEWEB)

    Veselská, Veronika, E-mail: veselskav@fzp.czu.cz [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic); Fajgar, Radek [Department of Analytical and Material Chemistry, Institute of Chemical Process Fundamentals of the CAS, v.v.i., Rozvojová 135/1, CZ-16502, Prague (Czech Republic); Číhalová, Sylva [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic); Bolanz, Ralph M. [Institute of Geosciences, Friedrich-Schiller-University Jena, Carl-Zeiss-Promenade 10, DE-07745, Jena (Germany); Göttlicher, Jörg; Steininger, Ralph [ANKA Synchrotron Radiation Facility, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, DE-76344, Eggenstein-Leopoldshafen (Germany); Siddique, Jamal A.; Komárek, Michael [Department of Environmental Geosciences, Faculty of Environmental Sciences, Czech University of Life Sciences Prague, Kamýcka 129, CZ-16521, Prague (Czech Republic)

    2016-11-15

    Highlights: • Study of Cr(VI) adsorption on soil minerals over a large range of conditions. • Combined surface complexation modeling and spectroscopic techniques. • Diffuse-layer and triple-layer models used to obtain fits to experimental data. • Speciation of Cr(VI) and Cr(III) was assessed. - Abstract: This study investigates the mechanisms of Cr(VI) adsorption on natural clay (illite and kaolinite) and synthetic (birnessite and ferrihydrite) minerals, including its speciation changes, and combining quantitative thermodynamically based mechanistic surface complexation models (SCMs) with spectroscopic measurements. Series of adsorption experiments have been performed at different pH values (3–10), ionic strengths (0.001–0.1 M KNO{sub 3}), sorbate concentrations (10{sup −4}, 10{sup −5}, and 10{sup −6} M Cr(VI)), and sorbate/sorbent ratios (50–500). Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy were used to determine the surface complexes, including surface reactions. Adsorption of Cr(VI) is strongly ionic strength dependent. For ferrihydrite at pH <7, a simple diffuse-layer model provides a reasonable prediction of adsorption. For birnessite, bidentate inner-sphere complexes of chromate and dichromate resulted in a better diffuse-layer model fit. For kaolinite, outer-sphere complexation prevails mainly at lower Cr(VI) loadings. Dissolution of solid phases needs to be considered for better SCMs fits. The coupled SCM and spectroscopic approach is thus useful for investigating individual minerals responsible for Cr(VI) retention in soils, and improving the handling and remediation processes.

  16. Uranyl adsorption and surface speciation at the imogolite-water interface: Self-consistent spectroscopic and surface complexation models

    Science.gov (United States)

    Arai, Y.; McBeath, M.; Bargar, J.R.; Joye, J.; Davis, J.A.

    2006-01-01

    Macro- and molecular-scale knowledge of uranyl (U(VI)) partitioning reactions with soil/sediment mineral components is important in predicting U(VI) transport processes in the vadose zone and aquifers. In this study, U(VI) reactivity and surface speciation on a poorly crystalline aluminosilicate mineral, synthetic imogolite, were investigated using batch adsorption experiments, X-ray absorption spectroscopy (XAS), and surface complexation modeling. U(VI) uptake on imogolite surfaces was greatest at pH ???7-8 (I = 0.1 M NaNO3 solution, suspension density = 0.4 g/L [U(VI)]i = 0.01-30 ??M, equilibration with air). Uranyl uptake decreased with increasing sodium nitrate concentration in the range from 0.02 to 0.5 M. XAS analyses show that two U(VI) inner-sphere (bidentate mononuclear coordination on outer-wall aluminol groups) and one outer-sphere surface species are present on the imogolite surface, and the distribution of the surface species is pH dependent. At pH 8.8, bis-carbonato inner-sphere and tris-carbonato outer-sphere surface species are present. At pH 7, bis- and non-carbonato inner-sphere surface species co-exist, and the fraction of bis-carbonato species increases slightly with increasing I (0.1-0.5 M). At pH 5.3, U(VI) non-carbonato bidentate mononuclear surface species predominate (69%). A triple layer surface complexation model was developed with surface species that are consistent with the XAS analyses and macroscopic adsorption data. The proton stoichiometry of surface reactions was determined from both the pH dependence of U(VI) adsorption data in pH regions of surface species predominance and from bond-valence calculations. The bis-carbonato species required a distribution of surface charge between the surface and ?? charge planes in order to be consistent with both the spectroscopic and macroscopic adsorption data. This research indicates that U(VI)-carbonato ternary species on poorly crystalline aluminosilicate mineral surfaces may be important in

  17. Development of a One-Handed, Environmental Surface-Sampling Device

    Science.gov (United States)

    2016-05-01

    individual packaging, an operator can generate a large amount of waste that needs to be managed during a sampling mission. The U.S. Army Edgewood...prepared and spore spotting was performed in a biological safety cabinet. For the spore- spotting procedures, the surfaces were spotted with 1 mL of...260 nm (A260) and 280 nm (A280). To determine the DNA concentration for each sample, the NanoDrop software used a modified Beer –Lambert equation and

  18. Monitoring prion protein expression in complex biological samples by SERS for diagnostic applications

    Energy Technology Data Exchange (ETDEWEB)

    Manno, D; Filippo, E; Fiore, R; Serra, A [Dipartimento di Scienza dei Materiali, Universita del Salento, Lecce (Italy); Urso, E; Rizzello, A; Maffia, M [Dipartimento di Scienze e Tecnologie Biologiche ed Ambientali, Universita del Salento, Lecce (Italy)

    2010-04-23

    Surface-enhanced Raman spectroscopy (SERS) allows a new insight into the analysis of cell physiology. In this work, the difficulty of producing suitable substrates that, besides permitting the amplification of the Raman signal, do not interact with the biological material causing alteration, has been overcome by a combined method of hydrothermal green synthesis and thermal annealing. The SERS analysis of the cell membrane has been performed with special attention to the cellular prion protein PrP{sup C}. In addition, SERS has also been used to reveal the prion protein-Cu(II) interaction in four different cell models (B104, SH-SY5Y, GN11, HeLa), expressing PrP{sup C} at different levels. A significant implication of the current work consists of the intriguing possibility of revealing and quantifying prion protein expression in complex biological samples by a cheap SERS-based method, replacing the expensive and time-consuming immuno-assay systems commonly employed.

  19. Monitoring prion protein expression in complex biological samples by SERS for diagnostic applications

    International Nuclear Information System (INIS)

    Manno, D; Filippo, E; Fiore, R; Serra, A; Urso, E; Rizzello, A; Maffia, M

    2010-01-01

    Surface-enhanced Raman spectroscopy (SERS) allows a new insight into the analysis of cell physiology. In this work, the difficulty of producing suitable substrates that, besides permitting the amplification of the Raman signal, do not interact with the biological material causing alteration, has been overcome by a combined method of hydrothermal green synthesis and thermal annealing. The SERS analysis of the cell membrane has been performed with special attention to the cellular prion protein PrP C . In addition, SERS has also been used to reveal the prion protein-Cu(II) interaction in four different cell models (B104, SH-SY5Y, GN11, HeLa), expressing PrP C at different levels. A significant implication of the current work consists of the intriguing possibility of revealing and quantifying prion protein expression in complex biological samples by a cheap SERS-based method, replacing the expensive and time-consuming immuno-assay systems commonly employed.

  20. Tailored optical vector fields for ultrashort-pulse laser induced complex surface plasmon structuring.

    Science.gov (United States)

    Ouyang, J; Perrie, W; Allegre, O J; Heil, T; Jin, Y; Fearon, E; Eckford, D; Edwardson, S P; Dearden, G

    2015-05-18

    Precise tailoring of optical vector beams is demonstrated, shaping their focal electric fields and used to create complex laser micro-patterning on a metal surface. A Spatial Light Modulator (SLM) and a micro-structured S-waveplate were integrated with a picosecond laser system and employed to structure the vector fields into radial and azimuthal polarizations with and without a vortex phase wavefront as well as superposition states. Imprinting Laser Induced Periodic Surface Structures (LIPSS) elucidates the detailed vector fields around the focal region. In addition to clear azimuthal and radial plasmon surface structures, unique, variable logarithmic spiral micro-structures with a pitch Λ ∼1μm, not observed previously, were imprinted on the surface, confirming unambiguously the complex 2D focal electric fields. We show clearly also how the Orbital Angular Momentum(OAM) associated with a helical wavefront induces rotation of vector fields along the optic axis of a focusing lens and confirmed by the observed surface micro-structures.

  1. Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

    Science.gov (United States)

    Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

    2018-01-01

    Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

  2. Nanofluidic structures with complex three-dimensional surfaces

    International Nuclear Information System (INIS)

    Stavis, Samuel M; Gaitan, Michael; Strychalski, Elizabeth A

    2009-01-01

    Nanofluidic devices have typically explored a design space of patterns limited by a single nanoscale structure depth. A method is presented here for fabricating nanofluidic structures with complex three-dimensional (3D) surfaces, utilizing a single layer of grayscale photolithography and standard integrated circuit manufacturing tools. This method is applied to construct nanofluidic devices with numerous (30) structure depths controlled from ∼10 to ∼620 nm with an average standard deviation of 1 cm. A prototype 3D nanofluidic device is demonstrated that implements size exclusion of rigid nanoparticles and variable nanoscale confinement and deformation of biomolecules.

  3. Complex conductivity of soils

    DEFF Research Database (Denmark)

    Revil, A.; Coperey, A.; Shao, Z.

    2017-01-01

    The complex conductivity of soil remains poorly known despite the growing importance of this method in hyrogeophysics. In order to fill this gap of knowledge, we investigate the complex conductivity of 71 soils samples (including 4 peat samples) and one clean sand in the frequency range 0.1 Hertz...... to 45 kHz. The soil samples are saturated with 6 different NaCl brines with conductivities (0.031, 0.53, 1.15, 5.7, 14.7, and 22 S m-1, NaCl, 25°C) in order to determine their intrinsic formation factor and surface conductivity. This dataset is used to test the predictions of the dynamic Stern...

  4. Functionalized granular activated carbon and surface complexation with chromates and bi-chromates in wastewater

    International Nuclear Information System (INIS)

    Singha, Somdutta; Sarkar, Ujjaini; Luharuka, Pallavi

    2013-01-01

    Cr(VI) is present in the aqueous medium as chromate (CrO 4 2− ) and bi-chromate (HCrO 4 − ). Functionalized granular activated carbons (FACs) are used as adsorbents in the treatment of wastewaters containing hexavalent chromium. The FACs are prepared by chemical modifications of granular activated carbons (GACs) using functionalizing agents like HNO 3 , HCl and HF. The Brunauer, Emmett and Teller surface areas of FAC-HCl (693.5 m 2 /g), FAC-HNO 3 (648.8 m 2 /g) and FAC-HF (726.2 m 2 /g) are comparable to the GAC (777.7 m 2 /g). But, the adsorption capacity of each of the FAC-HNO 3 , FAC-HCl and FAC-HF is found to be higher than the GAC. The functional groups play an important role in the adsorption process and pH has practically no role in this specific case. The FACs have hydrophilic protonated external surfaces in particular, along with the functional surface sites capable to make complexes with the CrO 4 2− and HCrO 4 − present. Surface complex formation is maximized in the order FAC-HNO 3 > FAC-HF > FAC-HCl, in proportion to the total surface acidity. This is also confirmed by the well-known pseudo second-order kinetic model. Physi-sorption equilibrium isotherms are parameterized by using standard Freundlich and Langmuir models. Langmuir fits better. The formation of surface complexes with the functional groups and hexavalent chromium is also revealed in the images of field emission scanning electron micrograph; energy dispersive X-ray spectroscopy and Fourier transform infrared spectroscopy analysis after adsorption. The intra-particle diffusion is not the only rate-controlling factor. The Boyd's film diffusion model fits very well with R 2 as high as 98.1% for FAC-HNO 3 . This result demonstrates that the functionalization of the GAC by acid treatments would increase the diffusion rate, predominantly with a boundary layer diffusion effect. - Highlights: ► Physico-chemical adsorption using functionalized activated carbon (FACs) is applied. ► FACs

  5. Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping

    Science.gov (United States)

    Lu, Jianfeng; Zhou, Zhennan

    2018-02-01

    To accelerate the thermal equilibrium sampling of multi-level quantum systems, the infinite swapping limit of a recently proposed multi-level ring polymer representation is investigated. In the infinite swapping limit, the ring polymer evolves according to an averaged Hamiltonian with respect to all possible surface index configurations of the ring polymer and thus connects the surface hopping approach to the mean-field path-integral molecular dynamics. A multiscale integrator for the infinite swapping limit is also proposed to enable efficient sampling based on the limiting dynamics. Numerical results demonstrate the huge improvement of sampling efficiency of the infinite swapping compared with the direct simulation of path-integral molecular dynamics with surface hopping.

  6. Surface analyses of electropolished niobium samples for superconducting radio frequency cavity

    International Nuclear Information System (INIS)

    Tyagi, P. V.; Nishiwaki, M.; Saeki, T.; Sawabe, M.; Hayano, H.; Noguchi, T.; Kato, S.

    2010-01-01

    The performance of superconducting radio frequency niobium cavities is sometimes limited by contaminations present on the cavity surface. In the recent years extensive research has been done to enhance the cavity performance by applying improved surface treatments such as mechanical grinding, electropolishing (EP), chemical polishing, tumbling, etc., followed by various rinsing methods such as ultrasonic pure water rinse, alcoholic rinse, high pressure water rinse, hydrogen per oxide rinse, etc. Although good cavity performance has been obtained lately by various post-EP cleaning methods, the detailed nature about the surface contaminants is still not fully characterized. Further efforts in this area are desired. Prior x-ray photoelectron spectroscopy (XPS) analyses of EPed niobium samples treated with fresh EP acid, demonstrated that the surfaces were covered mainly with the niobium oxide (Nb 2 O 5 ) along with carbon, in addition a small quantity of sulfur and fluorine were also found in secondary ion mass spectroscopy (SIMS) analysis. In this article, the authors present the analyses of surface contaminations for a series of EPed niobium samples located at various positions of a single cell niobium cavity followed by ultrapure water rinsing as well as our endeavor to understand the aging effect of EP acid solution in terms of contaminations presence at the inner surface of the cavity with the help of surface analytical tools such as XPS, SIMS, and scanning electron microscope at KEK.

  7. Note: Radio frequency surface impedance characterization system for superconducting samples at 7.5 GHz.

    Science.gov (United States)

    Xiao, B P; Reece, C E; Phillips, H L; Geng, R L; Wang, H; Marhauser, F; Kelley, M J

    2011-05-01

    A radio frequency (RF) surface impedance characterization (SIC) system that uses a novel sapphire-loaded niobium cavity operating at 7.5 GHz has been developed as a tool to measure the RF surface impedance of flat superconducting material samples. The SIC system can presently make direct calorimetric RF surface impedance measurements on the central 0.8 cm(2) area of 5 cm diameter disk samples from 2 to 20 K exposed to RF magnetic fields up to 14 mT. To illustrate system utility, we present first measurement results for a bulk niobium sample.

  8. Surface characterization of Nb samples electropolished with real superconducting rf accelerator cavities

    Directory of Open Access Journals (Sweden)

    Xin Zhao

    2010-12-01

    Full Text Available We report the results of surface characterizations of niobium (Nb samples electropolished together with a single cell superconducting radio-frequency accelerator cavity. These witness samples were located in three regions of the cavity, namely at the equator, the iris, and the beam pipe. Auger electron spectroscopy was utilized to probe the chemical composition of the topmost four atomic layers. Scanning electron microscopy with energy dispersive x ray for elemental analysis was used to observe the surface topography and chemical composition at the micrometer scale. A few atomic layers of sulfur (S were found covering the samples nonuniformly. Niobium oxide granules with a sharp geometry were observed on every sample. Some Nb-O granules appeared to also contain sulfur.

  9. Activity Concentration for Surface Soil Samples Collected from Arrant, Qena, Egypt

    International Nuclear Information System (INIS)

    Harb, S.; Salahel Din, K.; Abbady, A.; Moustafa, M.

    2010-01-01

    Soil samples were collected from four regions from Armant area. Qena, Upper Egypt for measure their natural radioactivity concentrations due to Ra-226, Th-232 and K-40 radionuclides. Thirty-Four surface soil samples were analyzed by using low-level gamma-spectrometric analysis. The average activity concentration for Ra-226 in (Bq/kg) in the collected soil samples were found to be 27.3 ±3.2, 11.4±1.09, 10.6±1.2, and 11.4±1.02 while the average value for Th-232 were 15.1±1.4, 11.1±0.77, 10.8 ± 0.72 and 11.1 ± 0.8 (Bq/kg) for soil samples from North, South, West and East. The corresponding average values for K-40 were 521.4±16.8, 463±14.8, 488.9±15.6 and 344.5±10.7 (Bq/kg), respectively. Based on radionuclides concentration in surface soil samples the radiological effects can be assessed

  10. Modeling and simulation for fewer-axis grinding of complex surface

    Science.gov (United States)

    Li, Zhengjian; Peng, Xiaoqiang; Song, Ci

    2017-10-01

    As the basis of fewer-axis grinding of complex surface, the grinding mathematical model is of great importance. A mathematical model of the grinding wheel was established, and then coordinate and normal vector of the wheel profile could be calculated. Through normal vector matching at the cutter contact point and the coordinate system transformation, the grinding mathematical model was established to work out the coordinate of the cutter location point. Based on the model, interference analysis was simulated to find out the right position and posture of workpiece for grinding. Then positioning errors of the workpiece including the translation positioning error and the rotation positioning error were analyzed respectively, and the main locating datum was obtained. According to the analysis results, the grinding tool path was planned and generated to grind the complex surface, and good form accuracy was obtained. The grinding mathematical model is simple, feasible and can be widely applied.

  11. Use of polyamfolit complexes of ethyl-amino-crotonate/acrylic acid with surface-active materials for radionuclide extraction

    International Nuclear Information System (INIS)

    Kabdyrakova, A.M.; Artem'ev, O.I.; Protskij, A.V.; Bimendina, L.A.; Yashkarova, M.G.; Orazzhanova, L.K.

    2005-01-01

    Pentifylline of betaine structure was synthesised on the basis of 3-aminocrotonate and acrylic acid. Polyamfolit composition and its complexes with anionic surface-active material (lauryl sulfate of sodium) were determined. It is revealed that complex formation occurs with [polyamfolit]:[surface active material]=1:1 ratio and is accompanied by significant reduce of system characteristics viscosity. The paper presents results of [polyamfolit]:[surface active material] complex apply experimental investigation for radionuclide directed migration in soil. (author)

  12. Europa's surface radiation environment and considerations for in-situ sampling and biosignature detection

    Science.gov (United States)

    Nordheim, T.; Paranicas, C.; Hand, K. P.

    2017-12-01

    Jupiter's moon Europa is embedded deep within the Jovian magnetosphere and is thus exposed to bombardment by charged particles, from thermal plasma to more energetic particles at radiation belt energies. In particular, energetic charged particles are capable of affecting the uppermost layer of surface material on Europa, in some cases down to depths of several meters (Johnson et al., 2004; Paranicas et al., 2009, 2002). Examples of radiation-induced surface alteration include sputtering, radiolysis and grain sintering; processes that are capable of significantly altering the physical properties of surface material. Radiolysis of surface ices containing sulfur-bearing contaminants from Io has been invoked as a possible explanation for hydrated sulfuric acid detected on Europa's surface (Carlson et al., 2002, 1999) and radiolytic production of oxidants represents a potential source of energy for life that could reside within Europa's sub-surface ocean (Chyba, 2000; Hand et al., 2007; Johnson et al., 2003; Vance et al., 2016). Accurate knowledge of Europa's surface radiation environment is essential to the interpretation of space and Earth-based observations of Europa's surface and exosphere. Furthermore, future landed missions may seek to sample endogenic material emplaced on Europa's surface to investigate its chemical composition and to search for biosignatures contained within. Such material would likely be sampled from the shallow sub-surface, and thus, it becomes crucial to know to which degree this material is expected to have been radiation processed.Here we will present modeling results of energetic electron and proton bombardment of Europa's surface, including interactions between these particles and surface material. In addition, we will present predictions for biosignature destruction at different geographical locations and burial depths and discuss the implications of these results for surface sampling by future missions to Europa's surface.

  13. Bacterial diversity of surface sand samples from the Gobi and Taklamaken deserts.

    Science.gov (United States)

    An, Shu; Couteau, Cécile; Luo, Fan; Neveu, Julie; DuBow, Michael S

    2013-11-01

    Arid regions represent nearly 30 % of the Earth's terrestrial surface, but their microbial biodiversity is not yet well characterized. The surface sands of deserts, a subset of arid regions, are generally subjected to large temperature fluctuations plus high UV light exposure and are low in organic matter. We examined surface sand samples from the Taklamaken (China, three samples) and Gobi (Mongolia, two samples) deserts, using pyrosequencing of PCR-amplified 16S V1/V2 rDNA sequences from total extracted DNA in order to gain an assessment of the bacterial population diversity. In total, 4,088 OTUs (using ≥97 % sequence similarity levels), with Chao1 estimates varying from 1,172 to 2,425 OTUs per sample, were discernable. These could be grouped into 102 families belonging to 15 phyla, with OTUs belonging to the Firmicutes, Proteobacteria, Bacteroidetes, and Actinobacteria phyla being the most abundant. The bacterial population composition was statistically different among the samples, though members from 30 genera were found to be common among the five samples. An increase in phylotype numbers with increasing C/N ratio was noted, suggesting a possible role in the bacterial richness of these desert sand environments. Our results imply an unexpectedly large bacterial diversity residing in the harsh environment of these two Asian deserts, worthy of further investigation.

  14. Analyses and Comparison of Bulk and Coil Surface Samples from the DWPF Slurry Mix Evaporator

    International Nuclear Information System (INIS)

    Hay, M.; Nash, C.; Stone, M.

    2012-01-01

    Sludge samples from the DWPF Slurry Mix Evaporator (SME) heating coil frame and coil surface were characterized to identify differences that might help identify heat transfer fouling materials. The SME steam coils have seen increased fouling leading to lower boil-up rates. Samples of the sludge were taken from the coil frame somewhat distant from the coil (bulk tank material) and from the coil surface (coil surface sample). The results of the analysis indicate the composition of the two SME samples are very similar with the exception that the coil surface sample shows ∼5-10X higher mercury concentration than the bulk tank sample. Elemental analyses and x-ray diffraction results did not indicate notable differences between the two samples. The ICP-MS and Cs-137 data indicate no significant differences in the radionuclide composition of the two SME samples. Semi-volatile organic analysis revealed numerous organic molecules, these likely result from antifoaming additives. The compositions of the two SME samples also match well with the analyzed composition of the SME batch with the exception of significantly higher silicon, lithium, and boron content in the batch sample indicating the coil samples are deficient in frit relative to the SME batch composition.

  15. Surface analyses of electropolished niobium samples for superconducting radio frequency cavity

    Energy Technology Data Exchange (ETDEWEB)

    Tyagi, P. V.; Nishiwaki, M.; Saeki, T.; Sawabe, M.; Hayano, H.; Noguchi, T.; Kato, S. [GUAS, Tsukuba, Ibaraki 305-0801 (Japan); KEK, Tsukuba, Ibaraki 305-0801 (Japan); KAKEN Inc., Hokota, Ibaraki 311-1416 (Japan); GUAS, Tsukuba, Ibaraki 305-0801 (Japan) and KEK, Tsukuba, Ibaraki 305-0801 (Japan)

    2010-07-15

    The performance of superconducting radio frequency niobium cavities is sometimes limited by contaminations present on the cavity surface. In the recent years extensive research has been done to enhance the cavity performance by applying improved surface treatments such as mechanical grinding, electropolishing (EP), chemical polishing, tumbling, etc., followed by various rinsing methods such as ultrasonic pure water rinse, alcoholic rinse, high pressure water rinse, hydrogen per oxide rinse, etc. Although good cavity performance has been obtained lately by various post-EP cleaning methods, the detailed nature about the surface contaminants is still not fully characterized. Further efforts in this area are desired. Prior x-ray photoelectron spectroscopy (XPS) analyses of EPed niobium samples treated with fresh EP acid, demonstrated that the surfaces were covered mainly with the niobium oxide (Nb{sub 2}O{sub 5}) along with carbon, in addition a small quantity of sulfur and fluorine were also found in secondary ion mass spectroscopy (SIMS) analysis. In this article, the authors present the analyses of surface contaminations for a series of EPed niobium samples located at various positions of a single cell niobium cavity followed by ultrapure water rinsing as well as our endeavor to understand the aging effect of EP acid solution in terms of contaminations presence at the inner surface of the cavity with the help of surface analytical tools such as XPS, SIMS, and scanning electron microscope at KEK.

  16. A hybrid 3D SEM reconstruction method optimized for complex geologic material surfaces.

    Science.gov (United States)

    Yan, Shang; Adegbule, Aderonke; Kibbey, Tohren C G

    2017-08-01

    Reconstruction methods are widely used to extract three-dimensional information from scanning electron microscope (SEM) images. This paper presents a new hybrid reconstruction method that combines stereoscopic reconstruction with shape-from-shading calculations to generate highly-detailed elevation maps from SEM image pairs. The method makes use of an imaged glass sphere to determine the quantitative relationship between observed intensity and angles between the beam and surface normal, and the detector and surface normal. Two specific equations are derived to make use of image intensity information in creating the final elevation map. The equations are used together, one making use of intensities in the two images, the other making use of intensities within a single image. The method is specifically designed for SEM images captured with a single secondary electron detector, and is optimized to capture maximum detail from complex natural surfaces. The method is illustrated with a complex structured abrasive material, and a rough natural sand grain. Results show that the method is capable of capturing details such as angular surface features, varying surface roughness, and surface striations. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Multidimensional chromatography coupled to mass spectrometry in analysing complex proteomics samples

    NARCIS (Netherlands)

    Horvatovich, Peter; Hoekman, Berend; Govorukhina, Natalia; Bischoff, Rainer

    Multidimensional chromatography coupled to mass spectrometry (LC(n)-MS) provides more separation power and an extended measured dynamic concentration range to analyse complex proteomics samples than one dimensional liquid chromatography coupled to mass spectrometry (1D-LC-MS). This review gives an

  18. Reducing the Computational Complexity of Reconstruction in Compressed Sensing Nonuniform Sampling

    DEFF Research Database (Denmark)

    Grigoryan, Ruben; Jensen, Tobias Lindstrøm; Arildsen, Thomas

    2013-01-01

    sparse signals, but requires computationally expensive reconstruction algorithms. This can be an obstacle for real-time applications. The reduction of complexity is achieved by applying a multi-coset sampling procedure. This proposed method reduces the size of the dictionary matrix, the size...

  19. [DNA complexes, formed on aqueous phase surfaces: new planar polymeric and composite nanostructures].

    Science.gov (United States)

    Antipina, M N; Gaĭnutdinov, R V; Rakhnianskaia, A A; Sergeev-Cherenkov, A N; Tolstikhina, A L; Iurova, T V; Kislov, V V; Khomutov, G B

    2003-01-01

    The formation of DNA complexes with Langmuir monolayers of the cationic lipid octadecylamine (ODA) and the new amphiphilic polycation poly-4-vinylpyridine with 16% of cetylpyridinium groups (PVP-16) on the surface of an aqueous solution of native DNA of low ionic strength was studied. Topographic images of Langmuir-Blodgett films of DNA/ODA and DNA/PVP-16 complexes applied to micaceous substrates were investigated by the method of atomic force microscopy. It was found that films of the amphiphilic polycation have an ordered planar polycrystalline structure. The morphology of planar DNA complexes with the amphiphilic cation substantially depended on the incubation time and the phase state of the monolayer on the surface of the aqueous DNA solution. Complex structures and individual DNA molecules were observed on the surface of the amphiphilic monolayer. Along with quasi-linear individual bound DNA molecules, characteristic extended net-like structures and quasi-circular toroidal condensed conformations of planar DNA complexes were detected. Mono- and multilayer films of DNA/PVP-16 complexes were used as templates and nanoreactors for the synthesis of inorganic nanostructures via the binding of metal cations from the solution and subsequent generation of the inorganic phase. As a result, ultrathin polymeric composite films with integrated DNA building blocks and quasi-linear arrays of inorganic semiconductor (CdS) and iron oxide nanoparticles and nanowires were obtained. The nanostructures obtained were characterized by scanning probe microscopy and transmission electron microscopy techniques. The methods developed are promising for investigating the mechanisms of structural organization and transformation in DNA and polyelectrolyte complexes at the gas-liquid interface and for the design of new extremely thin highly ordered planar polymeric and composite materials, films, and coatings with controlled ultrastructure for applications in nanoelectronics and

  20. Functionalized granular activated carbon and surface complexation with chromates and bi-chromates in wastewater

    Energy Technology Data Exchange (ETDEWEB)

    Singha, Somdutta; Sarkar, Ujjaini, E-mail: usarkar@chemical.jdvu.ac.in; Luharuka, Pallavi

    2013-03-01

    Cr(VI) is present in the aqueous medium as chromate (CrO{sub 4}{sup 2−}) and bi-chromate (HCrO{sub 4}{sup −}). Functionalized granular activated carbons (FACs) are used as adsorbents in the treatment of wastewaters containing hexavalent chromium. The FACs are prepared by chemical modifications of granular activated carbons (GACs) using functionalizing agents like HNO{sub 3}, HCl and HF. The Brunauer, Emmett and Teller surface areas of FAC-HCl (693.5 m{sup 2}/g), FAC-HNO{sub 3} (648.8 m{sup 2}/g) and FAC-HF (726.2 m{sup 2}/g) are comparable to the GAC (777.7 m{sup 2}/g). But, the adsorption capacity of each of the FAC-HNO{sub 3}, FAC-HCl and FAC-HF is found to be higher than the GAC. The functional groups play an important role in the adsorption process and pH has practically no role in this specific case. The FACs have hydrophilic protonated external surfaces in particular, along with the functional surface sites capable to make complexes with the CrO{sub 4}{sup 2−} and HCrO{sub 4}{sup −} present. Surface complex formation is maximized in the order FAC-HNO{sub 3} > FAC-HF > FAC-HCl, in proportion to the total surface acidity. This is also confirmed by the well-known pseudo second-order kinetic model. Physi-sorption equilibrium isotherms are parameterized by using standard Freundlich and Langmuir models. Langmuir fits better. The formation of surface complexes with the functional groups and hexavalent chromium is also revealed in the images of field emission scanning electron micrograph; energy dispersive X-ray spectroscopy and Fourier transform infrared spectroscopy analysis after adsorption. The intra-particle diffusion is not the only rate-controlling factor. The Boyd's film diffusion model fits very well with R{sup 2} as high as 98.1% for FAC-HNO{sub 3}. This result demonstrates that the functionalization of the GAC by acid treatments would increase the diffusion rate, predominantly with a boundary layer diffusion effect. - Highlights: ► Physico

  1. Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

    Energy Technology Data Exchange (ETDEWEB)

    Bonten, Luc T.C., E-mail: luc.bonten@wur.nl [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands); Groenenberg, Jan E. [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands); Meesenburg, Henning [Northwest German Forest Research Station, Abt. Umweltkontrolle, Sachgebiet Intensives Umweltmonitoring, Goettingen (Germany); Vries, Wim de [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands)

    2011-10-15

    Various dynamic soil chemistry models have been developed to gain insight into impacts of atmospheric deposition of sulphur, nitrogen and other elements on soil and soil solution chemistry. Sorption parameters for anions and cations are generally calibrated for each site, which hampers extrapolation in space and time. On the other hand, recently developed surface complexation models (SCMs) have been successful in predicting ion sorption for static systems using generic parameter sets. This study reports the inclusion of an assemblage of these SCMs in the dynamic soil chemistry model SMARTml and applies this model to a spruce forest site in Solling Germany. Parameters for SCMs were taken from generic datasets and not calibrated. Nevertheless, modelling results for major elements matched observations well. Further, trace metals were included in the model, also using the existing framework of SCMs. The model predicted sorption for most trace elements well. - Highlights: > Surface complexation models can be well applied in field studies. > Soil chemistry under a forest site is adequately modelled using generic parameters. > The model is easily extended with extra elements within the existing framework. > Surface complexation models can show the linkages between major soil chemistry and trace element behaviour. - Surface complexation models with generic parameters make calibration of sorption superfluous in dynamic modelling of deposition impacts on soil chemistry under nature areas.

  2. Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

    International Nuclear Information System (INIS)

    Bonten, Luc T.C.; Groenenberg, Jan E.; Meesenburg, Henning; Vries, Wim de

    2011-01-01

    Various dynamic soil chemistry models have been developed to gain insight into impacts of atmospheric deposition of sulphur, nitrogen and other elements on soil and soil solution chemistry. Sorption parameters for anions and cations are generally calibrated for each site, which hampers extrapolation in space and time. On the other hand, recently developed surface complexation models (SCMs) have been successful in predicting ion sorption for static systems using generic parameter sets. This study reports the inclusion of an assemblage of these SCMs in the dynamic soil chemistry model SMARTml and applies this model to a spruce forest site in Solling Germany. Parameters for SCMs were taken from generic datasets and not calibrated. Nevertheless, modelling results for major elements matched observations well. Further, trace metals were included in the model, also using the existing framework of SCMs. The model predicted sorption for most trace elements well. - Highlights: → Surface complexation models can be well applied in field studies. → Soil chemistry under a forest site is adequately modelled using generic parameters. → The model is easily extended with extra elements within the existing framework. → Surface complexation models can show the linkages between major soil chemistry and trace element behaviour. - Surface complexation models with generic parameters make calibration of sorption superfluous in dynamic modelling of deposition impacts on soil chemistry under nature areas.

  3. The nonlinear carrier transport in a bipolar semiconductor sample

    International Nuclear Information System (INIS)

    Konin, A

    2008-01-01

    A theory of formation of the voltage across a bipolar semiconductor sample due to the current flow accounting for the energy band bending near the semiconductor surfaces is presented. The non-equilibrium space charge layers near the sample surfaces and the boundary conditions in the real metal-semiconductor junction have been taken into account. It is shown that the voltage-current relation of a thin sample at weak injection differs essentially from the classical Ohm's law and becomes nonlinear for certain semiconductor surface parameters. Complex voltage-current relations and the photo-induced electromotive force measurements allow determining the surface recombination rate in the real metal-semiconductor junction and the semiconductor surface potential

  4. Optimized IMAC-IMAC protocol for phosphopeptide recovery from complex biological samples

    DEFF Research Database (Denmark)

    Ye, Juanying; Zhang, Xumin; Young, Clifford

    2010-01-01

    using Fe(III)-NTA IMAC resin and it proved to be highly selective in the phosphopeptide enrichment of a highly diluted standard sample (1:1000) prior to MALDI MS analysis. We also observed that a higher iron purity led to an increased IMAC enrichment efficiency. The optimized method was then adapted...... to phosphoproteome analyses of cell lysates of high protein complexity. From either 20 microg of mouse sample or 50 microg of Drosophila melanogaster sample, more than 1000 phosphorylation sites were identified in each study using IMAC-IMAC and LC-MS/MS. We demonstrate efficient separation of multiply phosphorylated...... characterization of phosphoproteins in functional phosphoproteomics research projects....

  5. Surface chemical characterization of PM{sub 10} samples by XPS

    Energy Technology Data Exchange (ETDEWEB)

    Atzei, Davide, E-mail: datzei@unica.it [Dipartimento di Scienze Chimiche e Geologiche, Università di Cagliari, Complesso Universitario di Monserrato, S.S. 554 Bivio per Sestu, I-09042 Monserrato, Cagliari (Italy); Fantauzzi, Marzia; Rossi, Antonella [Dipartimento di Scienze Chimiche e Geologiche, Università di Cagliari, Complesso Universitario di Monserrato, S.S. 554 Bivio per Sestu, I-09042 Monserrato, Cagliari (Italy); Fermo, Paola [Dipartimento di Chimica, Università degli Studi Milano, Via Golgi 19, I-20133 Milano (Italy); Piazzalunga, Andrea [Dipartimento di Chimica, Università degli Studi Milano, Via Golgi 19, I-20133 Milano (Italy); Dipartimento di Scienze dell’Ambiente e del territorio, Università degli Studi di Milano-Bicocca, Piazza della Scienza 1, I-20122 Milano (Italy); Valli, Gianluigi; Vecchi, Roberta [Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, I-20133 Milano (Italy)

    2014-07-01

    Samples of particulate matter (PM) collected in the city of Milan during wintertime were analyzed by X-ray photoelectron spectroscopy (XPS), thermal optical transmittance (TOT), ionic chromatography (IC) and X-ray fluorescence (XRF) in order to compare quantitative bulk analysis and surface analysis. In particular, the analysis of surface carbon is here presented following a new approach for the C1s curve fitting aiming this work to prove the capability of XPS to discriminate among elemental carbon (EC) and organic carbon (OC) and to quantify the carbon-based compounds that might be present in the PM. Since surface of urban PM is found to be rich in carbon it is important to be able to distinguish between the different species. XPS results indicate that aromatic and aliphatic species are adsorbed on the PM surface. Higher concentrations of (EC) are present in the bulk. Also nitrogen and sulfur were detected on the surfaces and a qualitative and quantitative analysis is provided. Surface concentration of sulfate ion is equal to that found by bulk analysis; moreover surface analysis shows an additional signal due to organic sulfur not detectable by the other methods. Surface appears to be also enriched in nitrogen.

  6. INTERACTION OF IMPULSE ELECTROMAGNETIC FIELDS WITH SURFACES OF METAL SAMPLES

    Directory of Open Access Journals (Sweden)

    V. V. Pavliouchenko

    2006-01-01

    Full Text Available Measurements of maximum tangential component of magnetic intensity Hτm have been carried out in the paper. The measurements have been taken on the surface of metal samples according to time of single current pulse rise in the form of semi-sinusoid of a linear current wire. Measurements have been made with the purpose to determine a value of the component according to thickness of samples made of aluminium.Temporary resolution ranges of electric and magnetic properties and defects of sample continuity along the depth have been found.Empirical formulae of dependence Hτm on sample thickness have been derived and their relation with efficient depth penetration of magnetic field into metal has been found.

  7. Application of a Dual-Arm Robot in Complex Sample Preparation and Measurement Processes.

    Science.gov (United States)

    Fleischer, Heidi; Drews, Robert Ralf; Janson, Jessica; Chinna Patlolla, Bharath Reddy; Chu, Xianghua; Klos, Michael; Thurow, Kerstin

    2016-10-01

    Automation systems with applied robotics have already been established in industrial applications for many years. In the field of life sciences, a comparable high level of automation can be found in the areas of bioscreening and high-throughput screening. Strong deficits still exist in the development of flexible and universal fully automated systems in the field of analytical measurement. Reasons are the heterogeneous processes with complex structures, which include sample preparation and transport, analytical measurements using complex sensor systems, and suitable data analysis and evaluation. Furthermore, the use of nonstandard sample vessels with various shapes and volumes results in an increased complexity. The direct use of existing automation solutions from bioscreening applications is not possible. A flexible automation system for sample preparation, analysis, and data evaluation is presented in this article. It is applied for the determination of cholesterol in biliary endoprosthesis using gas chromatography-mass spectrometry (GC-MS). A dual-arm robot performs both transport and active manipulation tasks to ensure human-like operation. This general robotic concept also enables the use of manual laboratory devices and equipment and is thus suitable in areas with a high standardization grade. © 2016 Society for Laboratory Automation and Screening.

  8. Optimization of sampling for the determination of the mean Radium-226 concentration in surface soil

    International Nuclear Information System (INIS)

    Williams, L.R.; Leggett, R.W.; Espegren, M.L.; Little, C.A.

    1987-08-01

    This report describes a field experiment that identifies an optimal method for determination of compliance with the US Environmental Protection Agency's Ra-226 guidelines for soil. The primary goals were to establish practical levels of accuracy and precision in estimating the mean Ra-226 concentration of surface soil in a small contaminated region; to obtain empirical information on composite vs. individual soil sampling and on random vs. uniformly spaced sampling; and to examine the practicality of using gamma measurements in predicting the average surface radium concentration and in estimating the number of soil samples required to obtain a given level of accuracy and precision. Numerous soil samples were collected on each six sites known to be contaminated with uranium mill tailings. Three types of samples were collected on each site: 10-composite samples, 20-composite samples, and individual or post hole samples; 10-composite sampling is the method of choice because it yields a given level of accuracy and precision for the least cost. Gamma measurements can be used to reduce surface soil sampling on some sites. 2 refs., 5 figs., 7 tabs

  9. Studies of surface complexation of H+, NpO2+, Co2+, Th4+ onto TiO2 and H+, UO22+ onto alumina

    International Nuclear Information System (INIS)

    Jakobsson, Anna-Maria; Albinsson, Yngve

    1998-11-01

    This report describes the determination of surface complexation reactions of some radionuclides on mineral oxides from sorption experiments and potentiometric titrations. The surface acidity constants of the mineral oxide have been determined using potentiometric titrations. A description and discussion of the extrapolation method used is included as well as the calibration method which is of uttermost importance for calculating the constants. In this report it is shown that the data close to pH pzc can not be used to calculate the apparent equilibrium constants since the assumption that either the positive or negative sites dominate gives rise to a pK app that approach infinity. Furthermore it is shown that it is a fair estimation to assume a linear relationship between the inner surface charge and the potential since pure titanium dioxide gives a pK app that has a linear dependence on the inner surface charge. Besides the surface acidity constants, the capacitance of the inner layer has been calculated from this linear dependence. The values of these agree well with other proposed in the literature. The sorption of cobalt, thorium and neptunyl ions onto titanium dioxide and uranyl ions onto alumina from aqueous solution was studied as a function of pH and ionic strength in a C0 2 free environment at moderate radionuclide concentrations. Two different experimental methods were employed; an on-line method in which samples withdrawn at a specific pH are separated and measured, and a batch method. There is no significant difference between the average results from the two methods, however the on-line method provides less scatter. Also, using this method we were able to study the desorption easily and thus the reversibility of the reactions. There is no difference in sorption between the different ionic strengths for Np, Th, Co and U ions. This indicates the formation of inner sphere complexes with the surface. Neptunyl ion forms a neutral complex with the titanium

  10. Rapid Surface Sampling and Archival Record (RSSAR) System. Topical report, October 1, 1993--December 31, 1994

    International Nuclear Information System (INIS)

    1997-01-01

    This report describes the results of Phase 1 efforts to develop a Rapid Surface Sampling and Archival Record (RSSAR) System for the detection of semivolatile organic contaminants on concrete, transite, and metal surfaces. The characterization of equipment and building surfaces for the presence of contaminants as part of building decontamination and decommissioning activities is an immensely large tacks of concern to both government and industry. Contaminated and clean materials must be clearly identified and segregated so that the clean materials can be recycled or reused, if possible, or disposed of more cheaply as nonhazardous waste. Characterization of building and equipment surfaces will be needed during initial investigations, during cleanup operations, and during the final confirmatory process, increasing the total number of samples well beyond that needed for initial characterization. This multiplicity of information places a premium on the ability to handle and track data as efficiently as possible. Aware of the shortcomings of traditional surface characterization technology, GE, with DOE support has undertaken a 12-month effort to complete Phase 1 of a proposed four-phase program to develop the RSSAR system. The objectives of this work are to provide instrumentation to cost-effectively sample concrete and steel surfaces, provide a quick-look indication for the presence or absence of contaminants, and collect samples for later, more detailed analysis in a readily accessible and addressable form. The Rapid Surface Sampling and Archival Record (RSSAR) System will be a modular instrument made up of several components: (1) sampling heads for concrete surfaces, steel surfaces, and bulk samples; (2) quick-look detectors for photoionization and ultraviolet; (3) multisample trapping module to trap and store vaporized contaminants in a manner suitable for subsequent detailed lab-based analyses

  11. Colour interceptions, thermal stability and surface morphology of polyester metal complexes

    International Nuclear Information System (INIS)

    Zohdy, M.H.

    2005-01-01

    Chelating copolymers via grafting of acrylic acid (AAc) and acrylamide (AAm/AAc) comonomer mixture onto polyester micro fiber fabrics (PETMF) using gamma-radiation technique were prepared. The prepared graft chains (PETMF-g-AAc) and (PETMF-g-PAAc/PAAm) acted as chelating sites for some selected transition metal ions. The prepared graft copolymers and their metal complexes were characterized using thermogravimetric analysis (TGA), colour parameters and surface morphology measurements. The colour interception and strength measurements showed that the metal complexation is homogeneously distributed. The results showed that the thermal stability of PETMF was improved after graft copolymerization and metal complexes. Moreover, the degree of grafting enhanced the thermal stability values of the grafted and complexed copolymers up to 25% of magnitude, on the other hand the activation energy of the grafted-copolymer with acrylic acid increased up to 80%. The SEM observation gives further supports to the homogenous distribution of grafting and metal complexation

  12. Lower-Cost, Relocatable Lunar Polar Lander and Lunar Surface Sample Return Probes

    Science.gov (United States)

    Amato, G. Michael; Garvin, James B.; Burt, I. Joseph; Karpati, Gabe

    2011-01-01

    Key science and exploration objectives of lunar robotic precursor missions can be achieved with the Lunar Explorer (LEx) low-cost, robotic surface mission concept described herein. Selected elements of the LEx concept can also be used to create a lunar surface sample return mission that we have called Boomerang

  13. Rapid Surface Sampling and Archival Record (RSSAR) system. Final report, October 1995 - May 1997

    International Nuclear Information System (INIS)

    1998-01-01

    This report describes the results of Phase 2 efforts to develop a Rapid Surface Sampling and Archival Record (RSSAR) System for the detection of semivolatile organic contaminants on concrete, transite, and metal surfaces. The characterization of equipment and building surfaces for the presence of contaminants as part of building decontamination and decommissioning activities is an immensely large task of concern to both government and industry. Because of the high cost of hazardous waste disposal, old, contaminated buildings cannot simply be demolished and scrapped. Contaminated and clean materials must be clearly identified and segregated so that the clean material can be recycled or reused, if possible, or disposed of more cheaply as nonhazardous waste. DOE has a number of sites requiring surface characterization. These sites are large, contain very heterogeneous patterns of contamination (requiring high sampling density), and will thus necessitate an enormous number of samples to be taken and analyzed. Characterization of building and equipment surfaces will be needed during initial investigations, during cleanup operations, and during the final confirmation process, increasing the total number of samples well beyond that needed for initial characterization. This multiplicity of information places a premium on the ability to handle and track data as efficiently as possible

  14. Rapid Surface Sampling and Archival Record (RSSAR) system. Final report, October 1995--May 1997

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

    This report describes the results of Phase 2 efforts to develop a Rapid Surface Sampling and Archival Record (RSSAR) System for the detection of semivolatile organic contaminants on concrete, transite, and metal surfaces. The characterization of equipment and building surfaces for the presence of contaminants as part of building decontamination and decommissioning activities is an immensely large task of concern to both government and industry. Because of the high cost of hazardous waste disposal, old, contaminated buildings cannot simply be demolished and scrapped. Contaminated and clean materials must be clearly identified and segregated so that the clean material can be recycled or reused, if possible, or disposed of more cheaply as nonhazardous waste. DOE has a number of sites requiring surface characterization. These sites are large, contain very heterogeneous patterns of contamination (requiring high sampling density), and will thus necessitate an enormous number of samples to be taken and analyzed. Characterization of building and equipment surfaces will be needed during initial investigations, during cleanup operations, and during the final confirmation process, increasing the total number of samples well beyond that needed for initial characterization. This multiplicity of information places a premium on the ability to handle and track data as efficiently as possible.

  15. Mathematical estimation of the level of microbial contamination on spacecraft surfaces by volumetric air sampling

    Science.gov (United States)

    Oxborrow, G. S.; Roark, A. L.; Fields, N. D.; Puleo, J. R.

    1974-01-01

    Microbiological sampling methods presently used for enumeration of microorganisms on spacecraft surfaces require contact with easily damaged components. Estimation of viable particles on surfaces using air sampling methods in conjunction with a mathematical model would be desirable. Parameters necessary for the mathematical model are the effect of angled surfaces on viable particle collection and the number of viable cells per viable particle. Deposition of viable particles on angled surfaces closely followed a cosine function, and the number of viable cells per viable particle was consistent with a Poisson distribution. Other parameters considered by the mathematical model included deposition rate and fractional removal per unit time. A close nonlinear correlation between volumetric air sampling and airborne fallout on surfaces was established with all fallout data points falling within the 95% confidence limits as determined by the mathematical model.

  16. Quantitative portable gamma spectroscopy sample analysis for non-standard sample geometries

    International Nuclear Information System (INIS)

    Enghauser, M.W.; Ebara, S.B.

    1997-01-01

    Utilizing a portable spectroscopy system, a quantitative method for analysis of samples containing a mixture of fission and activation products in nonstandard geometries was developed. The method can be used with various sample and shielding configurations where analysis on a laboratory based gamma spectroscopy system is impractical. The portable gamma spectroscopy method involves calibration of the detector and modeling of the sample and shielding to identify and quantify the radionuclides present in the sample. The method utilizes the intrinsic efficiency of the detector and the unattenuated gamma fluence rate at the detector surface per unit activity from the sample to calculate the nuclide activity and Minimum Detectable Activity (MDA). For a complex geometry, a computer code written for shielding applications (MICROSHIELD) is utilized to determine the unattenuated gamma fluence rate per unit activity at the detector surface. Lastly, the method is only applicable to nuclides which emit gamma rays and cannot be used for pure beta emitters. In addition, if sample self absorption and shielding is significant, the attenuation will result in high MDA's for nuclides which solely emit low energy gamma rays. The following presents the analysis technique and presents verification results demonstrating the accuracy of the method

  17. Analysis of progression of fatigue conditions in biceps brachii muscles using surface electromyography signals and complexity based features.

    Science.gov (United States)

    Karthick, P A; Makaram, Navaneethakrishna; Ramakrishnan, S

    2014-01-01

    Muscle fatigue is a neuromuscular condition where muscle performance decreases due to sustained or intense contraction. It is experienced by both normal and abnormal subjects. In this work, an attempt has been made to analyze the progression of muscle fatigue in biceps brachii muscles using surface electromyography (sEMG) signals. The sEMG signals are recorded from fifty healthy volunteers during dynamic contractions under well defined protocol. The acquired signals are preprocessed and segmented in to six equal parts for further analysis. The features, such as activity, mobility, complexity, sample entropy and spectral entropy are extracted from all six zones. The results are found showing that the extracted features except complexity feature have significant variations in differentiating non-fatigue and fatigue zone respectively. Thus, it appears that, these features are useful in automated analysis of various neuromuscular activities in normal and pathological conditions.

  18. Pulmonary lobe segmentation based on ridge surface sampling and shape model fitting

    Energy Technology Data Exchange (ETDEWEB)

    Ross, James C., E-mail: jross@bwh.harvard.edu [Channing Laboratory, Brigham and Women' s Hospital, Boston, Massachusetts 02215 (United States); Surgical Planning Lab, Brigham and Women' s Hospital, Boston, Massachusetts 02215 (United States); Laboratory of Mathematics in Imaging, Brigham and Women' s Hospital, Boston, Massachusetts 02126 (United States); Kindlmann, Gordon L. [Computer Science Department and Computation Institute, University of Chicago, Chicago, Illinois 60637 (United States); Okajima, Yuka; Hatabu, Hiroto [Department of Radiology, Brigham and Women' s Hospital, Boston, Massachusetts 02215 (United States); Díaz, Alejandro A. [Pulmonary and Critical Care Division, Brigham and Women' s Hospital and Harvard Medical School, Boston, Massachusetts 02215 and Department of Pulmonary Diseases, Pontificia Universidad Católica de Chile, Santiago (Chile); Silverman, Edwin K. [Channing Laboratory, Brigham and Women' s Hospital, Boston, Massachusetts 02215 and Pulmonary and Critical Care Division, Brigham and Women' s Hospital and Harvard Medical School, Boston, Massachusetts 02215 (United States); Washko, George R. [Pulmonary and Critical Care Division, Brigham and Women' s Hospital and Harvard Medical School, Boston, Massachusetts 02215 (United States); Dy, Jennifer [ECE Department, Northeastern University, Boston, Massachusetts 02115 (United States); Estépar, Raúl San José [Department of Radiology, Brigham and Women' s Hospital, Boston, Massachusetts 02215 (United States); Surgical Planning Lab, Brigham and Women' s Hospital, Boston, Massachusetts 02215 (United States); Laboratory of Mathematics in Imaging, Brigham and Women' s Hospital, Boston, Massachusetts 02126 (United States)

    2013-12-15

    Purpose: Performing lobe-based quantitative analysis of the lung in computed tomography (CT) scans can assist in efforts to better characterize complex diseases such as chronic obstructive pulmonary disease (COPD). While airways and vessels can help to indicate the location of lobe boundaries, segmentations of these structures are not always available, so methods to define the lobes in the absence of these structures are desirable. Methods: The authors present a fully automatic lung lobe segmentation algorithm that is effective in volumetric inspiratory and expiratory computed tomography (CT) datasets. The authors rely on ridge surface image features indicating fissure locations and a novel approach to modeling shape variation in the surfaces defining the lobe boundaries. The authors employ a particle system that efficiently samples ridge surfaces in the image domain and provides a set of candidate fissure locations based on the Hessian matrix. Following this, lobe boundary shape models generated from principal component analysis (PCA) are fit to the particles data to discriminate between fissure and nonfissure candidates. The resulting set of particle points are used to fit thin plate spline (TPS) interpolating surfaces to form the final boundaries between the lung lobes. Results: The authors tested algorithm performance on 50 inspiratory and 50 expiratory CT scans taken from the COPDGene study. Results indicate that the authors' algorithm performs comparably to pulmonologist-generated lung lobe segmentations and can produce good results in cases with accessory fissures, incomplete fissures, advanced emphysema, and low dose acquisition protocols. Dice scores indicate that only 29 out of 500 (5.85%) lobes showed Dice scores lower than 0.9. Two different approaches for evaluating lobe boundary surface discrepancies were applied and indicate that algorithm boundary identification is most accurate in the vicinity of fissures detectable on CT. Conclusions: The

  19. Pulmonary lobe segmentation based on ridge surface sampling and shape model fitting

    International Nuclear Information System (INIS)

    Ross, James C.; Kindlmann, Gordon L.; Okajima, Yuka; Hatabu, Hiroto; Díaz, Alejandro A.; Silverman, Edwin K.; Washko, George R.; Dy, Jennifer; Estépar, Raúl San José

    2013-01-01

    Purpose: Performing lobe-based quantitative analysis of the lung in computed tomography (CT) scans can assist in efforts to better characterize complex diseases such as chronic obstructive pulmonary disease (COPD). While airways and vessels can help to indicate the location of lobe boundaries, segmentations of these structures are not always available, so methods to define the lobes in the absence of these structures are desirable. Methods: The authors present a fully automatic lung lobe segmentation algorithm that is effective in volumetric inspiratory and expiratory computed tomography (CT) datasets. The authors rely on ridge surface image features indicating fissure locations and a novel approach to modeling shape variation in the surfaces defining the lobe boundaries. The authors employ a particle system that efficiently samples ridge surfaces in the image domain and provides a set of candidate fissure locations based on the Hessian matrix. Following this, lobe boundary shape models generated from principal component analysis (PCA) are fit to the particles data to discriminate between fissure and nonfissure candidates. The resulting set of particle points are used to fit thin plate spline (TPS) interpolating surfaces to form the final boundaries between the lung lobes. Results: The authors tested algorithm performance on 50 inspiratory and 50 expiratory CT scans taken from the COPDGene study. Results indicate that the authors' algorithm performs comparably to pulmonologist-generated lung lobe segmentations and can produce good results in cases with accessory fissures, incomplete fissures, advanced emphysema, and low dose acquisition protocols. Dice scores indicate that only 29 out of 500 (5.85%) lobes showed Dice scores lower than 0.9. Two different approaches for evaluating lobe boundary surface discrepancies were applied and indicate that algorithm boundary identification is most accurate in the vicinity of fissures detectable on CT. Conclusions: The proposed

  20. Early bone anchorage to micro- and nano-topographically complex implant surfaces in hyperglycemia.

    Science.gov (United States)

    Ajami, Elnaz; Bell, Spencer; Liddell, Robert S; Davies, John E

    2016-07-15

    The aim of this work was to investigate the effect of implant surface design on early bone anchorage in the presence of hyperglycemia. 108 Wistar rats were separated into euglycemic (EG) controls and STZ-treated hyperglycemic (HG) groups, and received bilateral femoral custom rectangular implants of two surface topographies: grit blasted (GB) and grit-blast with a superimposed calcium phosphate nanotopography (GB-DCD). The peri-implant bone was subjected to a tensile disruption test 5, 7, and 9days post-operatively (n=28/time point); the force was measured; and the residual peri-implant bone was observed by scanning electron microscopy (SEM). Disruption forces at 5days were not significantly different from zero for the GB implants (p=0.24) in either metabolic group; but were for GB+DCD implants in both metabolic groups (pmicro-surfaced implants showed significantly different disruption forces at all time points (e.g. >15N and implants, as all values were very low (implant bone showed compromised intra-fibrillar collagen mineralization in hyperglycemia, while inter-fibrillar and cement line mineralization remained unaffected. Enhanced bone anchorage to the implant surfaces was observed on the nanotopographically complex surface independent of metabolic group. The compromised intra-fibrillar mineralization observed provides a mechanism by which early bone mineralization is affected in hyperglycemia. It is generally accepted that the hyperglycemia associated with diabetes mellitus compromises bone quality, although the mechanism by which this occurs is unknown. Uncontrolled hyperglycemia is therefore a contra-indication for bone implant placement. It is also known that nano-topographically complex implant surfaces accelerate early peri-implant healing. In this report we show that, in our experimental model, nano-topographically complex surfaces can mitigate the compromised bone healing seen in hyperglycemia. Importantly, we also provide a mechanistic explanation for

  1. Enhancing the magnetic anisotropy of maghemite nanoparticles via the surface coordination of molecular complexes

    Science.gov (United States)

    Prado, Yoann; Daffé, Niéli; Michel, Aude; Georgelin, Thomas; Yaacoub, Nader; Grenèche, Jean-Marc; Choueikani, Fadi; Otero, Edwige; Ohresser, Philippe; Arrio, Marie-Anne; Cartier-dit-Moulin, Christophe; Sainctavit, Philippe; Fleury, Benoit; Dupuis, Vincent; Lisnard, Laurent; Fresnais, Jérôme

    2015-01-01

    Superparamagnetic nanoparticles are promising objects for data storage or medical applications. In the smallest—and more attractive—systems, the properties are governed by the magnetic anisotropy. Here we report a molecule-based synthetic strategy to enhance this anisotropy in sub-10-nm nanoparticles. It consists of the fabrication of composite materials where anisotropic molecular complexes are coordinated to the surface of the nanoparticles. Reacting 5 nm γ-Fe2O3 nanoparticles with the [CoII(TPMA)Cl2] complex (TPMA: tris(2-pyridylmethyl)amine) leads to the desired composite materials and the characterization of the functionalized nanoparticles evidences the successful coordination—without nanoparticle aggregation and without complex dissociation—of the molecular complexes to the nanoparticles surface. Magnetic measurements indicate the significant enhancement of the anisotropy in the final objects. Indeed, the functionalized nanoparticles show a threefold increase of the blocking temperature and a coercive field increased by one order of magnitude. PMID:26634987

  2. A surface science compatible epifluorescence microscope for inspection of samples under ultra high vacuum and cryogenic conditions.

    Science.gov (United States)

    Marquardt, Christian; Paulheim, Alexander; Rohbohm, Nils; Merkel, Rudolf; Sokolowski, Moritz

    2017-08-01

    We modified an epi-illumination light microscope and mounted it on an ultra high vacuum chamber for investigating samples used in a surface science experiment. For easy access and bake out, all optical components are placed outside the vacuum and the sample is imaged through a glass window. The microscope can be operated in reflection brightfield or epifluorescence mode to image the sample surface or fluorescent dye molecules adsorbed on it. The homemade sample mounting was made compatible for the use under the microscope; sample temperatures as low as 6 K can be achieved. The performance of the microscope is demonstrated on two model samples: Brightfield-images of a well-prepared Ag(100) surface show a macroscopic corrugation of the surface, although low energy electron diffraction data indicate a highly ordered crystalline surface. The surface shows macroscopic protrusions with flat regions, about 20-200 μm in diameter, in between. Fluorescence images of diluted 3,4,9,10-perylene tetracarboxylicacid dianhydride (PTCDA) molecules adsorbed on an ultrathin epitaxial KCl film on the Ag(100) surface show a shading effect at surface protrusions due to an inclined angle of incidence of the PTCDA beam during deposition. For some preparations, the distribution of the fluorescence intensity is inhomogeneous and shows a dense network of bright patches about 5 μm in diameter related to the macroscopic corrugation of the surface. We propose that such a light microscope can aid many surface science experiments, especially those dealing with epitaxial growth or fluorescent materials.

  3. Laboratory Studies on Surface Sampling of Bacillus anthracis Contamination: Summary, Gaps, and Recommendations

    Energy Technology Data Exchange (ETDEWEB)

    Piepel, Gregory F.; Amidan, Brett G.; Hu, Rebecca

    2011-11-28

    This report summarizes previous laboratory studies to characterize the performance of methods for collecting, storing/transporting, processing, and analyzing samples from surfaces contaminated by Bacillus anthracis or related surrogates. The focus is on plate culture and count estimates of surface contamination for swab, wipe, and vacuum samples of porous and nonporous surfaces. Summaries of the previous studies and their results were assessed to identify gaps in information needed as inputs to calculate key parameters critical to risk management in biothreat incidents. One key parameter is the number of samples needed to make characterization or clearance decisions with specified statistical confidence. Other key parameters include the ability to calculate, following contamination incidents, the (1) estimates of Bacillus anthracis contamination, as well as the bias and uncertainties in the estimates, and (2) confidence in characterization and clearance decisions for contaminated or decontaminated buildings. Gaps in knowledge and understanding identified during the summary of the studies are discussed and recommendations are given for future studies.

  4. Evaluating polymer degradation with complex mixtures using a simplified surface area method.

    Science.gov (United States)

    Steele, Kandace M; Pelham, Todd; Phalen, Robert N

    2017-09-01

    Chemical-resistant gloves, designed to protect workers from chemical hazards, are made from a variety of polymer materials such as plastic, rubber, and synthetic rubber. One material does not provide protection against all chemicals, thus proper polymer selection is critical. Standardized testing, such as chemical degradation tests, are used to aid in the selection process. The current methods of degradation ratings based on changes in weight or tensile properties can be expensive and data often do not exist for complex chemical mixtures. There are hundreds of thousands of chemical products on the market that do not have chemical resistance data for polymer selection. The method described in this study provides an inexpensive alternative to gravimetric analysis. This method uses surface area change to evaluate degradation of a polymer material. Degradation tests for 5 polymer types against 50 complex mixtures were conducted using both gravimetric and surface area methods. The percent change data were compared between the two methods. The resulting regression line was y = 0.48x + 0.019, in units of percent, and the Pearson correlation coefficient was r = 0.9537 (p ≤ 0.05), which indicated a strong correlation between percent weight change and percent surface area change. On average, the percent change for surface area was about half that of the weight change. Using this information, an equivalent rating system was developed for determining the chemical degradation of polymer gloves using surface area.

  5. Spectroscopic identification of binary and ternary surface complexes of Np(V) on gibbsite.

    Science.gov (United States)

    Gückel, Katharina; Rossberg, André; Müller, Katharina; Brendler, Vinzenz; Bernhard, Gert; Foerstendorf, Harald

    2013-12-17

    For the first time, detailed molecular information on the Np(V) sorption species on amorphous Al(OH)3 and crystalline gibbsite was obtained by in situ time-resolved Attenuated Total Reflection Fourier-Transform Infrared (ATR FT-IR) and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The results consistently demonstrate the formation of mononuclear inner sphere complexes of the NpO2(+) ion irrespective of the prevailing atmospheric condition. The impact of the presence of atmospheric equivalent added carbonate on the speciation in solution and on the surfaces becomes evident from vibrational data. While the 1:1 aqueous carbonato species (NpO2CO3(-)) was found to become predominant in the circumneutral pH range, it is most likely that this species is sorbed onto the gibbsite surface as a ternary inner sphere surface complex where the NpO2(+) moiety is directly coordinated to the functional groups of the gibbsite's surface. These findings are corroborated by results obtained from EXAFS spectroscopy providing further evidence for a bidentate coordination of the Np(V) ion on amorphous Al(OH)3. The identification of the Np(V) surface species on gibbsite constitutes a basic finding for a comprehensive description of the dissemination of neptunium in groundwater systems.

  6. Sorption properties of bentonite clays towards Pu(IV), U(VI), Np(V) and Cs: experimental and surface complexation study

    Energy Technology Data Exchange (ETDEWEB)

    Sabodina, M.N. [Institute of Physical Chemistry of Russian Academy of Science, Moscow 119192 (Russian Federation); Kalmykov, St.N.; Sapozhnikov, Yu.A. [Radiochemistry div., Chemistry dept., Lomonosov Moscow State University, Moscow 119992, (Russian Federation); Gupalo, T.A.; Beigul, V.P. [VNIPI Promtechnology, Moscow (Russian Federation)

    2005-07-01

    Full text of publication follows: Sorption of radionuclides, their diffusion in bentonite as well as its solubility are the major factors that define bentonite as a geochemical barrier. Sorption of cations by bentonite could be governed by two mechanisms including ion exchange with interlayer cations and formation of surface complexes with either silanol or aluminol groups. The aim of this work was to study mechanisms of {sup 137}Cs, Pu(IV), Np(V) and U(VI) sorption by bentonite and their solubility in bentonite pore waters. Bentonite (Khakassiya deposit) used in the experiments was taken in Na-form and characterized by powder X-ray diffraction, scanning electron microscopy, potentiometric titration. The cation exchange capacities of bentonite at pH=6 were measured by isotopic exchange with {sup 22}Na{sup +} and Cs{sup +} saturation. Sorption experiments were performed in N{sub 2} atmosphere in plastic vials. Bentonite samples were left in the working solutions to swell for few days before sorption experiments were performed. After the desired concentration of radionuclide ({sup 137}Cs, {sup 238}Pu, {sup 239}Pu, {sup 237}Np, {sup 239}Np, {sup 238}U) was added to the suspension, the required pH values are established and samples were left until the equilibrium was reached. Separation of solution after the sorption was performed using micro- and ultrafiltration techniques. The sorption of Pu(IV), U(VI) and Np(V) was highly pH dependent that indicates predominant surface complexation mechanism of sorption. For {sup 137}Cs the pH dependence of sorption was less pronounced and significant decrease of sorption occurs at pH<1.7 that indicate the ion exchange as the major mechanism. The equilibrium constant of Na{sup +}/Cs{sup +} exchange was calculated form sorption isotherms and pH dependence of sorption. It is established using micro- and ultra-filtrations, that sorption of radionuclides onto bentonite nano colloids is essential. Surface complexation modeling exercises

  7. Model Complexity and Out-of-Sample Performance: Evidence from S&P 500 Index Returns

    NARCIS (Netherlands)

    Kaeck, Andreas; Rodrigues, Paulo; Seeger, Norman J.

    We apply a range of out-of-sample specification tests to more than forty competing stochastic volatility models to address how model complexity affects out-of-sample performance. Using daily S&P 500 index returns, model confidence set estimations provide strong evidence that the most important model

  8. Statistical power to detect genetic (covariance of complex traits using SNP data in unrelated samples.

    Directory of Open Access Journals (Sweden)

    Peter M Visscher

    2014-04-01

    Full Text Available We have recently developed analysis methods (GREML to estimate the genetic variance of a complex trait/disease and the genetic correlation between two complex traits/diseases using genome-wide single nucleotide polymorphism (SNP data in unrelated individuals. Here we use analytical derivations and simulations to quantify the sampling variance of the estimate of the proportion of phenotypic variance captured by all SNPs for quantitative traits and case-control studies. We also derive the approximate sampling variance of the estimate of a genetic correlation in a bivariate analysis, when two complex traits are either measured on the same or different individuals. We show that the sampling variance is inversely proportional to the number of pairwise contrasts in the analysis and to the variance in SNP-derived genetic relationships. For bivariate analysis, the sampling variance of the genetic correlation additionally depends on the harmonic mean of the proportion of variance explained by the SNPs for the two traits and the genetic correlation between the traits, and depends on the phenotypic correlation when the traits are measured on the same individuals. We provide an online tool for calculating the power of detecting genetic (covariation using genome-wide SNP data. The new theory and online tool will be helpful to plan experimental designs to estimate the missing heritability that has not yet been fully revealed through genome-wide association studies, and to estimate the genetic overlap between complex traits (diseases in particular when the traits (diseases are not measured on the same samples.

  9. Reactive solute transport in streams: A surface complexation approach for trace metal sorption

    Science.gov (United States)

    Runkel, Robert L.; Kimball, Briant A.; McKnight, Diane M.; Bencala, Kenneth E.

    1999-01-01

    A model for trace metals that considers in-stream transport, metal oxide precipitation-dissolution, and pH-dependent sorption is presented. Linkage between a surface complexation submodel and the stream transport equations provides a framework for modeling sorption onto static and/or dynamic surfaces. A static surface (e.g., an iron- oxide-coated streambed) is defined as a surface with a temporally constant solid concentration. Limited contact between solutes in the water column and the static surface is considered using a pseudokinetic approach. A dynamic surface (e.g., freshly precipitated metal oxides) has a temporally variable solid concentration and is in equilibrium with the water column. Transport and deposition of solute mass sorbed to the dynamic surface is represented in the stream transport equations that include precipitate settling. The model is applied to a pH-modification experiment in an acid mine drainage stream. Dissolved copper concentrations were depressed for a 3 hour period in response to the experimentally elevated pH. After passage of the pH front, copper was desorbed, and dissolved concentrations returned to ambient levels. Copper sorption is modeled by considering sorption to aged hydrous ferric oxide (HFO) on the streambed (static surface) and freshly precipitated HFO in the water column (dynamic surface). Comparison of parameter estimates with reported values suggests that naturally formed iron oxides may be more effective in removing trace metals than synthetic oxides used in laboratory studies. The model's ability to simulate pH, metal oxide precipitation-dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between trace metal chemistry and hydrologic transport at the field scale.

  10. Energetic Surface Smoothing of Complex Metal-Oxide Thin Films

    International Nuclear Information System (INIS)

    Willmott, P.R.; Herger, R.; Schlepuetz, C.M.; Martoccia, D.; Patterson, B.D.

    2006-01-01

    A novel energetic smoothing mechanism in the growth of complex metal-oxide thin films is reported from in situ kinetic studies of pulsed laser deposition of La 1-x Sr x MnO 3 on SrTiO 3 , using x-ray reflectivity. Below 50% monolayer coverage, prompt insertion of energetic impinging species into small-diameter islands causes them to break up to form daughter islands. This smoothing mechanism therefore inhibits the formation of large-diameter 2D islands and the seeding of 3D growth. Above 50% coverage, islands begin to coalesce and their breakup is thereby suppressed. The energy of the incident flux is instead rechanneled into enhanced surface diffusion, which leads to an increase in the effective surface temperature of ΔT≅500 K. These results have important implications on optimal conditions for nanoscale device fabrication using these materials

  11. Deuterium retention and surface modification of tungsten macrobrush samples exposed in FTU Tokamak

    Science.gov (United States)

    Maddaluno, G.; Giacomi, G.; Rufoloni, A.; Verdini, L.

    2007-06-01

    The effect of discrete structures such as macrobrush or castellated surfaces on power handling and deuterium retention of plasma facing components is to be assessed since such geometrical configurations are needed for increasing the lifetime of the armour to heat-sink joint. Four small macrobrush W and W + 1%La2O3 samples have been exposed in the Frascati Tokamak Upgrade (FTU) scrape-off layer up to the last closed flux surface by means of the Sample Introduction System. FTU is an all metal machine with no carbon source inside vacuum vessel; it exhibits ITER relevant energy and particle fluxes on the plasma facing components. Here, results on morphological surface changes (SEM), chemical composition (EDX) and deuterium retention (TDS) are reported.

  12. Energy transfer between surface-immobilized light-harvesting chlorophyll a/b complex (LHCII) studied by surface plasmon field-enhanced fluorescence spectroscopy (SPFS).

    Science.gov (United States)

    Lauterbach, Rolf; Liu, Jing; Knoll, Wolfgang; Paulsen, Harald

    2010-11-16

    The major light-harvesting chlorophyll a/b complex (LHCII) of the photosynthetic apparatus in green plants can be viewed as a protein scaffold binding and positioning a large number of pigment molecules that combines rapid and efficient excitation energy transfer with effective protection of its pigments from photobleaching. These properties make LHCII potentially interesting as a light harvester (or a model thereof) in photoelectronic applications. Most of such applications would require the LHCII to be immobilized on a solid surface. In a previous study we showed the immobilization of recombinant LHCII on functionalized gold surfaces via a 6-histidine tag (His tag) in the protein moiety. In this work the occurrence and efficiency of Förster energy transfer between immobilized LHCII on a functionalized surface have been analyzed by surface plasmon field-enhanced fluorescence spectroscopy (SPFS). A near-infrared dye was attached to some but not all of the LHC complexes, serving as an energy acceptor to chlorophylls. Analysis of the energy transfer from chlorophylls to this acceptor dye yielded information about the extent of intercomplex energy transfer between immobilized LHCII.

  13. Recovery of diverse microbes in high turbidity surface water samples using dead-end ultrafiltration.

    Science.gov (United States)

    Mull, Bonnie; Hill, Vincent R

    2012-12-01

    Dead-end ultrafiltration (DEUF) has been reported to be a simple, field-deployable technique for recovering bacteria, viruses, and parasites from large-volume water samples for water quality testing and waterborne disease investigations. While DEUF has been reported for application to water samples having relatively low turbidity, little information is available regarding recovery efficiencies for this technique when applied to sampling turbid water samples such as those commonly found in lakes and rivers. This study evaluated the effectiveness of a DEUF technique for recovering MS2 bacteriophage, enterococci, Escherichia coli, Clostridium perfringens, and Cryptosporidium parvum oocysts in surface water samples having elevated turbidity. Average recovery efficiencies for each study microbe across all turbidity ranges were: MS2 (66%), C. parvum (49%), enterococci (85%), E. coli (81%), and C. perfringens (63%). The recovery efficiencies for MS2 and C. perfringens exhibited an inversely proportional relationship with turbidity, however no significant differences in recovery were observed for C. parvum, enterococci, or E. coli. Although ultrafilter clogging was observed, the DEUF method was able to process 100-L surface water samples at each turbidity level within 60 min. This study supports the use of the DEUF method for recovering a wide array of microbes in large-volume surface water samples having medium to high turbidity. Published by Elsevier B.V.

  14. Engineering the cell surface display of cohesins for assembly of cellulosome-inspired enzyme complexes on Lactococcus lactis

    Directory of Open Access Journals (Sweden)

    Wieczorek Andrew S

    2010-09-01

    Full Text Available Abstract Background The assembly and spatial organization of enzymes in naturally occurring multi-protein complexes is of paramount importance for the efficient degradation of complex polymers and biosynthesis of valuable products. The degradation of cellulose into fermentable sugars by Clostridium thermocellum is achieved by means of a multi-protein "cellulosome" complex. Assembled via dockerin-cohesin interactions, the cellulosome is associated with the cell surface during cellulose hydrolysis, forming ternary cellulose-enzyme-microbe complexes for enhanced activity and synergy. The assembly of recombinant cell surface displayed cellulosome-inspired complexes in surrogate microbes is highly desirable. The model organism Lactococcus lactis is of particular interest as it has been metabolically engineered to produce a variety of commodity chemicals including lactic acid and bioactive compounds, and can efficiently secrete an array of recombinant proteins and enzymes of varying sizes. Results Fragments of the scaffoldin protein CipA were functionally displayed on the cell surface of Lactococcus lactis. Scaffolds were engineered to contain a single cohesin module, two cohesin modules, one cohesin and a cellulose-binding module, or only a cellulose-binding module. Cell toxicity from over-expression of the proteins was circumvented by use of the nisA inducible promoter, and incorporation of the C-terminal anchor motif of the streptococcal M6 protein resulted in the successful surface-display of the scaffolds. The facilitated detection of successfully secreted scaffolds was achieved by fusion with the export-specific reporter staphylococcal nuclease (NucA. Scaffolds retained their ability to associate in vivo with an engineered hybrid reporter enzyme, E. coli β-glucuronidase fused to the type 1 dockerin motif of the cellulosomal enzyme CelS. Surface-anchored complexes exhibited dual enzyme activities (nuclease and β-glucuronidase, and were

  15. Analytical Method to Estimate the Complex Permittivity of Oil Samples

    Directory of Open Access Journals (Sweden)

    Lijuan Su

    2018-03-01

    Full Text Available In this paper, an analytical method to estimate the complex dielectric constant of liquids is presented. The method is based on the measurement of the transmission coefficient in an embedded microstrip line loaded with a complementary split ring resonator (CSRR, which is etched in the ground plane. From this response, the dielectric constant and loss tangent of the liquid under test (LUT can be extracted, provided that the CSRR is surrounded by such LUT, and the liquid level extends beyond the region where the electromagnetic fields generated by the CSRR are present. For that purpose, a liquid container acting as a pool is added to the structure. The main advantage of this method, which is validated from the measurement of the complex dielectric constant of olive and castor oil, is that reference samples for calibration are not required.

  16. Microjetting from grooved surfaces in metallic samples subjected to laser driven shocks

    Science.gov (United States)

    de Rességuier, T.; Lescoute, E.; Sollier, A.; Prudhomme, G.; Mercier, P.

    2014-01-01

    When a shock wave propagating in a solid sample reflects from a free surface, geometrical effects predominantly governed by the roughness and defects of that surface may lead to the ejection of tiny jets that may breakup into high velocity, approximately micrometer-size fragments. This process referred to as microjetting is a major safety issue for engineering applications such as pyrotechnics or armour design. Thus, it has been widely studied both experimentally, under explosive and impact loading, and theoretically. In this paper, microjetting is investigated in the specific loading conditions associated to laser shocks: very short duration of pressure application, very high strain rates, small spatial scales. Material ejection from triangular grooves in the free surface of various metallic samples is studied by combining transverse optical shadowgraphy and time-resolved velocity measurements. The influences of the main parameters (groove angle, shock pressure, nature of the metal) on jet formation and ejection velocity are quantified, and the results are compared to theoretical estimates.

  17. Microjetting from grooved surfaces in metallic samples subjected to laser driven shocks

    International Nuclear Information System (INIS)

    Rességuier, T. de; Lescoute, E.; Sollier, A.; Prudhomme, G.; Mercier, P.

    2014-01-01

    When a shock wave propagating in a solid sample reflects from a free surface, geometrical effects predominantly governed by the roughness and defects of that surface may lead to the ejection of tiny jets that may breakup into high velocity, approximately micrometer-size fragments. This process referred to as microjetting is a major safety issue for engineering applications such as pyrotechnics or armour design. Thus, it has been widely studied both experimentally, under explosive and impact loading, and theoretically. In this paper, microjetting is investigated in the specific loading conditions associated to laser shocks: very short duration of pressure application, very high strain rates, small spatial scales. Material ejection from triangular grooves in the free surface of various metallic samples is studied by combining transverse optical shadowgraphy and time-resolved velocity measurements. The influences of the main parameters (groove angle, shock pressure, nature of the metal) on jet formation and ejection velocity are quantified, and the results are compared to theoretical estimates

  18. Microjetting from grooved surfaces in metallic samples subjected to laser driven shocks

    Energy Technology Data Exchange (ETDEWEB)

    Rességuier, T. de, E-mail: resseguier@ensma.fr [Institut PPRIME, UPR 3346, CNRS, ENSMA, Université de Poitiers, 1 ave. Clément Ader, 86961 Futuroscope Cedex (France); Lescoute, E.; Sollier, A.; Prudhomme, G.; Mercier, P. [CEA, DAM, DIF, 91297 Arpajon (France)

    2014-01-28

    When a shock wave propagating in a solid sample reflects from a free surface, geometrical effects predominantly governed by the roughness and defects of that surface may lead to the ejection of tiny jets that may breakup into high velocity, approximately micrometer-size fragments. This process referred to as microjetting is a major safety issue for engineering applications such as pyrotechnics or armour design. Thus, it has been widely studied both experimentally, under explosive and impact loading, and theoretically. In this paper, microjetting is investigated in the specific loading conditions associated to laser shocks: very short duration of pressure application, very high strain rates, small spatial scales. Material ejection from triangular grooves in the free surface of various metallic samples is studied by combining transverse optical shadowgraphy and time-resolved velocity measurements. The influences of the main parameters (groove angle, shock pressure, nature of the metal) on jet formation and ejection velocity are quantified, and the results are compared to theoretical estimates.

  19. Cosmogenic nuclides in the Martian surface: constraints for sample recovery and transport

    International Nuclear Information System (INIS)

    Englert, P.A.J.

    1988-01-01

    Stable and radioactive cosmogenic nuclides and radiation damage effects such as cosmic ray tracks can provide information on the surface history of Mars. A recent overview on developments in cosmogenic nuclide research for historical studies of predominantly extraterrestrial materials was published previously. The information content of cosmogenic nuclides and radiation damage effects produced in the Martian surface is based on the different ways of interaction of the primary galactic and solar cosmic radiation (GCR, SCR) and the secondary particle cascade. Generally the kind and extent of interactions as seen in the products depend on the following factors: (1) composition, energy and intensity of the primary SCR and GCR; (2) composition, energy and intensity of the GCR-induced cascade of secondary particles; (3) the target geometry, i.e., the spatial parameters of Martian surface features with respect to the primary radiation source; (4) the target chemistry, i.e., the chemical composition of the Martian surface at the sampling location down to the minor element level or lower; and (5) duration of the exposure. These factors are not independent of each other and have a major influence on sample taking strategies and techniques

  20. Surface plasmon resonance biosensors for highly sensitive detection in real samples

    Science.gov (United States)

    Sepúlveda, B.; Carrascosa, L. G.; Regatos, D.; Otte, M. A.; Fariña, D.; Lechuga, L. M.

    2009-08-01

    In this work we summarize the main results obtained with the portable surface plasmon resonance (SPR) device developed in our group (commercialised by SENSIA, SL, Spain), highlighting its applicability for the real-time detection of extremely low concentrations of toxic pesticides in environmental water samples. In addition, we show applications in clinical diagnosis as, on the one hand, the real-time and label-free detection of DNA hybridization and single point mutations at the gene BRCA-1, related to the predisposition in women to develop an inherited breast cancer and, on the other hand, the analysis of protein biomarkers in biological samples (urine, serum) for early detection of diseases. Despite the large number of applications already proven, the SPR technology has two main drawbacks: (i) not enough sensitivity for some specific applications (where pM-fM or single-molecule detection are needed) (ii) low multiplexing capabilities. In order solve such drawbacks, we work in several alternative configurations as the Magneto-optical Surface Plasmon Resonance sensor (MOSPR) based on a combination of magnetooptical and ferromagnetic materials, to improve the SPR sensitivity, or the Localized Surface Plasmon Resonance (LSPR) based on nanostructures (nanoparticles, nanoholes,...), for higher multiplexing capabilities.

  1. Technical Note: Comparison of storage strategies of sea surface microlayer samples

    Directory of Open Access Journals (Sweden)

    K. Schneider-Zapp

    2013-07-01

    Full Text Available The sea surface microlayer (SML is an important biogeochemical system whose physico-chemical analysis often necessitates some degree of sample storage. However, many SML components degrade with time so the development of optimal storage protocols is paramount. We here briefly review some commonly used treatment and storage protocols. Using freshwater and saline SML samples from a river estuary, we investigated temporal changes in surfactant activity (SA and the absorbance and fluorescence of chromophoric dissolved organic matter (CDOM over four weeks, following selected sample treatment and storage protocols. Some variability in the effectiveness of individual protocols most likely reflects sample provenance. None of the various protocols examined performed any better than dark storage at 4 °C without pre-treatment. We therefore recommend storing samples refrigerated in the dark.

  2. Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems

    Directory of Open Access Journals (Sweden)

    Josh Fass

    2018-04-01

    Full Text Available While Langevin integrators are popular in the study of equilibrium properties of complex systems, it is challenging to estimate the timestep-induced discretization error: the degree to which the sampled phase-space or configuration-space probability density departs from the desired target density due to the use of a finite integration timestep. Sivak et al., introduced a convenient approach to approximating a natural measure of error between the sampled density and the target equilibrium density, the Kullback-Leibler (KL divergence, in phase space, but did not specifically address the issue of configuration-space properties, which are much more commonly of interest in molecular simulations. Here, we introduce a variant of this near-equilibrium estimator capable of measuring the error in the configuration-space marginal density, validating it against a complex but exact nested Monte Carlo estimator to show that it reproduces the KL divergence with high fidelity. To illustrate its utility, we employ this new near-equilibrium estimator to assess a claim that a recently proposed Langevin integrator introduces extremely small configuration-space density errors up to the stability limit at no extra computational expense. Finally, we show how this approach to quantifying sampling bias can be applied to a wide variety of stochastic integrators by following a straightforward procedure to compute the appropriate shadow work, and describe how it can be extended to quantify the error in arbitrary marginal or conditional distributions of interest.

  3. Control of the positional relationship between a sample collection instrument and a surface to be analyzed during a sampling procedure using a laser sensor

    Science.gov (United States)

    Van Berkel, Gary J [Clinton, TN; Kertesz, Vilmos [Knoxville, TN

    2012-02-21

    A system and method utilizes distance-measuring equipment including a laser sensor for controlling the collection instrument-to-surface distance during a sample collection process for use, for example, with mass spectrometric detection. The laser sensor is arranged in a fixed positional relationship with the collection instrument, and a signal is generated by way of the laser sensor which corresponds to the actual distance between the laser sensor and the surface. The actual distance between the laser sensor and the surface is compared to a target distance between the laser sensor and the surface when the collection instrument is arranged at a desired distance from the surface for sample collecting purposes, and adjustments are made, if necessary, so that the actual distance approaches the target distance.

  4. Identification of Uranyl Surface Complexes an Ferrihydrite: Advanced EXAFS Data Analysis and CD-MUSIC Modeling

    NARCIS (Netherlands)

    Rossberg, A.; Ulrich, K.U.; Weiss, S.; Tsushima, S.; Hiemstra, T.; Scheinost, A.C.

    2009-01-01

    Previous spectroscopic research suggested that uranium(VI) adsorption to iron oxides is dominated by ternary uranyl-carbonato surface complexes across an unexpectedly wide pH range. Formation of such complexes would have a significant impact on the sorption behavior and mobility of uranium in

  5. Surface stabilized GMR nanorods of silver coated CrO2 synthesized via a polymer complex at ambient pressure

    International Nuclear Information System (INIS)

    Biswas, S.; Singh, G.P.; Ram, S.; Fecht, H.-J.

    2013-01-01

    Stable anisotropic nanorods of surface modified CrO 2 (∼18 nm diameter) with a correlated diamagnetic layer (2–3 nm thickness) of silver efficiently tailors useful magnetic and magnetoresistance (MR) properties. Essentially, it involves a core-shell structure that is developed by displacing part of Cr 4+ ions by Ag atoms on the CrO 2 surface (topotactic surface layer) via an etching reaction of a CrO 2 -polymer complex with Ag + ions in hot water followed by heating the dried sample at 300–400 °C in air. The stable Ag-layer so obtained in the form of a shell protects CrO 2 such that it no longer converts to Cr 2 O 3 in ambient pressure during the processing. X-ray diffractogram of the Rutile type tetragonal CrO 2 structure (lattice parameters a=0.4429 nm and c=0.2950 nm) includes weak peaks of a minority phase of an fcc-Ag (a=0.4086 nm). The silver surface layer, which manifests itself in a doublet of the 3d 5/2 and 3d 3/2 X-ray photoelectron bands of binding energies 368.46 eV and 374.48 eV, respectively, suppresses almost all Cr bands to appear in a measurable intensity. The sample exhibits a distinctly enhanced MR-value, e.g., (−) 7.6% at 77 K, than reported values in compacted CrO 2 powders or composites. Such a large MR-value in the Coulomb blockade regime ( 2 nanorods. - Highlights: • Synthesis and structural studies of a novel GMR material of Ag coated CrO 2 . • Tailoring useful GMR property in CrO 2 nanorods of controlled shape and anisotropy. • Enhanced GMR is explained in correlation to the surface structure of CrO 2 nanorods

  6. Composition and microstructure alteration of triticale grain surface after processing by enzymes of cellulase complex

    Directory of Open Access Journals (Sweden)

    Elena Kuznetsova

    2016-01-01

    Full Text Available It is found that the pericarp tissue of grain have considerable strength and stiffness, that has an adverse effect on quality of whole-grain bread. Thereby, there exists the need for preliminary chemical and biochemical processing of durable cell walls before industrial use. Increasingly used in the production of bread finds an artificial hybrid of the traditional grain crops of wheat and rye - triticale, grain which has high nutritional value. The purpose of this research was to evaluate the influence of cellulose complex (Penicillium canescens enzymes on composition and microstructure alteration of triticale grain surface, for grain used in baking. Triticale grain was processed by cellulolytic enzyme preparations with different composition (producer is Penicillium canescens. During experiment it is found that triticale grain processing by enzymes of cellulase complex leads to an increase in the content of water-soluble pentosans by 36.3 - 39.2%. The total amount of low molecular sugars increased by 3.8 - 10.5 %. Studies show that under the influence of enzymes the microstructure of the triticale grain surface is changing. Microphotographs characterizing grain surface structure alteration in dynamic (every 2 hours during 10 hours of substrate hydrolysis are shown. It is found that the depth and direction of destruction process for non-starch polysaccharides of grain integument are determined by the composition of the enzyme complex preparation and duration of exposure. It is found, that xylanase involved in the modification of hemicelluloses fiber having both longitudinal and radial orientation. Hydrolysis of non-starch polysaccharides from grain shells led to increase of antioxidant activity. Ferulic acid was identified in alcoholic extract of triticale grain after enzymatic hydrolysis under the influence of complex preparation containing cellulase, xylanase and β-glucanase. Grain processing by independent enzymes containing in complex

  7. Chromate Adsorption on Selected Soil Minerals: Surface Complexation Modeling Coupled with Spectroscopic Investigation.

    Czech Academy of Sciences Publication Activity Database

    Veselská, V.; Fajgar, Radek; Číhalová, S.; Bolanz, R.M.; Göttlicher, J.; Steininger, R.; Siddique, J.A.; Komárek, M.

    2016-01-01

    Roč. 318, NOV 15 (2016), s. 433-442 ISSN 0304-3894 Institutional support: RVO:67985858 Keywords : surface complexation modeling * chromate * soil minerals Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.065, year: 2016

  8. Sampling and sample handling procedures for priority pollutants in surface coal mining wastewaters. [Detailed list to be analyzed for

    Energy Technology Data Exchange (ETDEWEB)

    Hayden, R. S.; Johnson, D. O.; Henricks, J. D.

    1979-03-01

    The report describes the procedures used by Argonne National Laboratory to sample surface coal mine effluents in order to obtain field and laboratory data on 110 organic compounds or classes of compounds and 14 metals and minerals that are known as priority pollutants, plus 5-day biochemical oxygen demand (BOD/sub 5/), total organic carbon (TOC), chemical oxygen demand (COD), total dissolved solids (TDS), and total suspended solids (TSS). Included are directions for preparation of sampling containers and equipment, methods of sampling and sample preservation, and field and laboratory protocols, including chain-of-custody procedures. Actual analytical procedures are not described, but their sources are referenced.

  9. Analysis of gold(I/III)-complexes by HPLC-ICP-MS demonstrates gold(III) stability in surface waters.

    Science.gov (United States)

    Ta, Christine; Reith, Frank; Brugger, Joël; Pring, Allan; Lenehan, Claire E

    2014-05-20

    Understanding the form in which gold is transported in surface- and groundwaters underpins our understanding of gold dispersion and (bio)geochemical cycling. Yet, to date, there are no direct techniques capable of identifying the oxidation state and complexation of gold in natural waters. We present a reversed phase ion-pairing HPLC-ICP-MS method for the separation and determination of aqueous gold(III)-chloro-hydroxyl, gold(III)-bromo-hydroxyl, gold(I)-thiosulfate, and gold(I)-cyanide complexes. Detection limits for the gold species range from 0.05 to 0.30 μg L(-1). The [Au(CN)2](-) gold cyanide complex was detected in five of six waters from tailings and adjacent monitoring bores of working gold mines. Contrary to thermodynamic predictions, evidence was obtained for the existence of Au(III)-complexes in circumneutral, hypersaline waters of a natural lake overlying a gold deposit in Western Australia. This first direct evidence for the existence and stability of Au(III)-complexes in natural surface waters suggests that Au(III)-complexes may be important for the transport and biogeochemical cycling of gold in surface environments. Overall, these results show that near-μg L(-1) enrichments of Au in environmental waters result from metastable ligands (e.g., CN(-)) as well as kinetically controlled redox processes leading to the stability of highly soluble Au(III)-complexes.

  10. Evaluation and Prediction present of radionuclide for surface wipe sample in Emergency Related with Fukushima Nuclear Accident

    International Nuclear Information System (INIS)

    Zalina Laili; Muhamat Omar; Woo, Y.M.

    2011-01-01

    Surface wipe samples of aircraft and container from Japan that were exposed to radioactive dust fallout due to Fukushima nuclear accident has been analysed using gamma spectrometry systems. The samples were analysed to determine their contamination levels. The surface of aircraft and container might be exposed to short and long lived fission and activation products. Thus, good evaluations, as well as a reliable and reasonable judgment were needed in order to determine the presence of fission and activation products. A work procedure has been developed to evaluate and predict the presence of fission and activation products in surface wipe samples. Good references, skilled and experienced level in analysis, a well calibrated and validated detector system were the important factors in determining the presence of fission and activation products in surface wipe samples. (author)

  11. Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces

    Directory of Open Access Journals (Sweden)

    Krishnamoorthy Arumugam

    2014-04-01

    Full Text Available Applications of redox processes range over a number of scientific fields. This review article summarizes the theory behind the calculation of redox potentials in solution for species such as organic compounds, inorganic complexes, actinides, battery materials, and mineral surface-bound-species. Different computational approaches to predict and determine redox potentials of electron transitions are discussed along with their respective pros and cons for the prediction of redox potentials. Subsequently, recommendations are made for certain necessary computational settings required for accurate calculation of redox potentials. This article reviews the importance of computational parameters, such as basis sets, density functional theory (DFT functionals, and relativistic approaches and the role that physicochemical processes play on the shift of redox potentials, such as hydration or spin orbit coupling, and will aid in finding suitable combinations of approaches for different chemical and geochemical applications. Identifying cost-effective and credible computational approaches is essential to benchmark redox potential calculations against experiments. Once a good theoretical approach is found to model the chemistry and thermodynamics of the redox and electron transfer process, this knowledge can be incorporated into models of more complex reaction mechanisms that include diffusion in the solute, surface diffusion, and dehydration, to name a few. This knowledge is important to fully understand the nature of redox processes be it a geochemical process that dictates natural redox reactions or one that is being used for the optimization of a chemical process in industry. In addition, it will help identify materials that will be useful to design catalytic redox agents, to come up with materials to be used for batteries and photovoltaic processes, and to identify new and improved remediation strategies in environmental engineering, for example the

  12. Classifier-Guided Sampling for Complex Energy System Optimization

    Energy Technology Data Exchange (ETDEWEB)

    Backlund, Peter B. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Eddy, John P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-09-01

    This report documents the results of a Laboratory Directed Research and Development (LDRD) effort enti tled "Classifier - Guided Sampling for Complex Energy System Optimization" that was conducted during FY 2014 and FY 2015. The goal of this proj ect was to develop, implement, and test major improvements to the classifier - guided sampling (CGS) algorithm. CGS is type of evolutionary algorithm for perform ing search and optimization over a set of discrete design variables in the face of one or more objective functions. E xisting evolutionary algorithms, such as genetic algorithms , may require a large number of o bjecti ve function evaluations to identify optimal or near - optimal solutions . Reducing the number of evaluations can result in significant time savings, especially if the objective function is computationally expensive. CGS reduce s the evaluation count by us ing a Bayesian network classifier to filter out non - promising candidate designs , prior to evaluation, based on their posterior probabilit ies . In this project, b oth the single - objective and multi - objective version s of the CGS are developed and tested on a set of benchm ark problems. As a domain - specific case study, CGS is used to design a microgrid for use in islanded mode during an extended bulk power grid outage.

  13. Geostatistical integration and uncertainty in pollutant concentration surface under preferential sampling

    Directory of Open Access Journals (Sweden)

    Laura Grisotto

    2016-04-01

    Full Text Available In this paper the focus is on environmental statistics, with the aim of estimating the concentration surface and related uncertainty of an air pollutant. We used air quality data recorded by a network of monitoring stations within a Bayesian framework to overcome difficulties in accounting for prediction uncertainty and to integrate information provided by deterministic models based on emissions meteorology and chemico-physical characteristics of the atmosphere. Several authors have proposed such integration, but all the proposed approaches rely on representativeness and completeness of existing air pollution monitoring networks. We considered the situation in which the spatial process of interest and the sampling locations are not independent. This is known in the literature as the preferential sampling problem, which if ignored in the analysis, can bias geostatistical inferences. We developed a Bayesian geostatistical model to account for preferential sampling with the main interest in statistical integration and uncertainty. We used PM10 data arising from the air quality network of the Environmental Protection Agency of Lombardy Region (Italy and numerical outputs from the deterministic model. We specified an inhomogeneous Poisson process for the sampling locations intensities and a shared spatial random component model for the dependence between the spatial location of monitors and the pollution surface. We found greater predicted standard deviation differences in areas not properly covered by the air quality network. In conclusion, in this context inferences on prediction uncertainty may be misleading when geostatistical modelling does not take into account preferential sampling.

  14. Oriented coupling of major histocompatibility complex (MHC) to sensor surfaces using light assisted immobilisation technology

    DEFF Research Database (Denmark)

    Snabe, Torben; Røder, Gustav Andreas; Neves-Petersen, Maria Teresa

    2005-01-01

    Controlled and oriented immobilisation of proteins for biosensor purposes is of extreme interest since this provides more efficient sensors with a larger density of active binding sites per area compared to sensors produced by conventional immobilisation. In this paper oriented coupling of a major...... histocompatibility complex (MHC class I) to a sensor surface is presented. The coupling was performed using light assisted immobilisation--a novel immobilisation technology which allows specific opening of particular disulphide bridges in proteins which then is used for covalent bonding to thiol-derivatised surfaces...... via a new disulphide bond. Light assisted immobilisation specifically targets the disulphide bridge in the MHC-I molecule alpha(3)-domain which ensures oriented linking of the complex with the peptide binding site exposed away from the sensor surface. Structural analysis reveals that a similar...

  15. First principles studies of complex oxide surfaces and interfaces

    International Nuclear Information System (INIS)

    Noguera, Claudine; Finocchi, Fabio; Goniakowski, Jacek

    2004-01-01

    Oxides enter our everyday life and exhibit an impressive variety of physical and chemical properties. The understanding of their behaviour, which is often determined by the electronic and atomic structures of their surfaces and interfaces, is a key question in many fields, such as geology, environmental chemistry, catalysis, thermal coatings, microelectronics, and bioengineering. In the last decade, first principles methods, mainly those based on the density functional theory, have been frequently applied to study complex oxide surfaces and interfaces, complementing the experimental observations. In this work, we discuss some of these contributions, with emphasis on several issues that are especially important when dealing with oxides: the local electronic structure at interfaces, and its connection with chemical reactivity; the charge redistribution and the bonding variations, in relation to screening properties; and the possibility of bridging the gap between model and real systems by taking into account the chemical environments and the effect of finite temperatures, and by performing simulations on systems of an adequate (large) size

  16. Quantum tomography via compressed sensing: error bounds, sample complexity and efficient estimators

    International Nuclear Information System (INIS)

    Flammia, Steven T; Gross, David; Liu, Yi-Kai; Eisert, Jens

    2012-01-01

    Intuitively, if a density operator has small rank, then it should be easier to estimate from experimental data, since in this case only a few eigenvectors need to be learned. We prove two complementary results that confirm this intuition. Firstly, we show that a low-rank density matrix can be estimated using fewer copies of the state, i.e. the sample complexity of tomography decreases with the rank. Secondly, we show that unknown low-rank states can be reconstructed from an incomplete set of measurements, using techniques from compressed sensing and matrix completion. These techniques use simple Pauli measurements, and their output can be certified without making any assumptions about the unknown state. In this paper, we present a new theoretical analysis of compressed tomography, based on the restricted isometry property for low-rank matrices. Using these tools, we obtain near-optimal error bounds for the realistic situation where the data contain noise due to finite statistics, and the density matrix is full-rank with decaying eigenvalues. We also obtain upper bounds on the sample complexity of compressed tomography, and almost-matching lower bounds on the sample complexity of any procedure using adaptive sequences of Pauli measurements. Using numerical simulations, we compare the performance of two compressed sensing estimators—the matrix Dantzig selector and the matrix Lasso—with standard maximum-likelihood estimation (MLE). We find that, given comparable experimental resources, the compressed sensing estimators consistently produce higher fidelity state reconstructions than MLE. In addition, the use of an incomplete set of measurements leads to faster classical processing with no loss of accuracy. Finally, we show how to certify the accuracy of a low-rank estimate using direct fidelity estimation, and describe a method for compressed quantum process tomography that works for processes with small Kraus rank and requires only Pauli eigenstate preparations

  17. Determination of the complex refractive index segments of turbid sample with multispectral spatially modulated structured light and models approximation

    Science.gov (United States)

    Meitav, Omri; Shaul, Oren; Abookasis, David

    2017-09-01

    Spectral data enabling the derivation of a biological tissue sample's complex refractive index (CRI) can provide a range of valuable information in the clinical and research contexts. Specifically, changes in the CRI reflect alterations in tissue morphology and chemical composition, enabling its use as an optical marker during diagnosis and treatment. In the present work, we report a method for estimating the real and imaginary parts of the CRI of a biological sample using Kramers-Kronig (KK) relations in the spatial frequency domain. In this method, phase-shifted sinusoidal patterns at single high spatial frequency are serially projected onto the sample surface at different near-infrared wavelengths while a camera mounted normal to the sample surface acquires the reflected diffuse light. In the offline analysis pipeline, recorded images at each wavelength are converted to spatial phase maps using KK analysis and are then calibrated against phase-models derived from diffusion approximation. The amplitude of the reflected light, together with phase data, is then introduced into Fresnel equations to resolve both real and imaginary segments of the CRI at each wavelength. The technique was validated in tissue-mimicking phantoms with known optical parameters and in mouse models of ischemic injury and heat stress. Experimental data obtained indicate variations in the CRI among brain tissue suffering from injury. CRI fluctuations correlated with alterations in the scattering and absorption coefficients of the injured tissue are demonstrated. This technique for deriving dynamic changes in the CRI of tissue may be further developed as a clinical diagnostic tool and for biomedical research applications. To the best of our knowledge, this is the first report of the estimation of the spectral CRI of a mouse head following injury obtained in the spatial frequency domain.

  18. False negative rate and other performance measures of a sponge-wipe surface sampling method for low contaminant concentrations.

    Energy Technology Data Exchange (ETDEWEB)

    Einfeld, Wayne; Krauter, Paula A.; Boucher, Raymond M.; Tezak, Mathew; Amidan, Brett G. (Pacific Northwest National Laboratory, Richland, WA); Piepel, Greg F. (Pacific Northwest National Laboratory, Richland, WA)

    2011-05-01

    Recovery of spores from environmental surfaces is known to vary due to sampling methodology, techniques, spore size and characteristics, surface materials, and environmental conditions. A series of tests were performed to evaluate a new, validated sponge-wipe method. Specific factors evaluated were the effects of contaminant concentrations and surface materials on recovery efficiency (RE), false negative rate (FNR), limit of detection (LOD) - and the uncertainties of these quantities. Ceramic tile and stainless steel had the highest mean RE values (48.9 and 48.1%, respectively). Faux leather, vinyl tile, and painted wood had mean RE values of 30.3, 25.6, and 25.5, respectively, while plastic had the lowest mean RE (9.8%). Results show a roughly linear dependence of surface roughness on RE, where the smoothest surfaces have the highest mean RE values. REs were not influenced by the low spore concentrations tested (3 x 10{sup -3} to 1.86 CFU/cm{sup 2}). The FNR data were consistent with RE data, showing a trend of smoother surfaces resulting in higher REs and lower FNRs. Stainless steel generally had the lowest mean FNR (0.123) and plastic had the highest mean FNR (0.479). The LOD{sub 90} varied with surface material, from 0.015 CFU/cm{sup 2} on stainless steel up to 0.039 on plastic. Selecting sampling locations on the basis of surface roughness and using roughness to interpret spore recovery data can improve sampling. Further, FNR values, calculated as a function of concentration and surface material, can be used pre-sampling to calculate the numbers of samples for statistical sampling plans with desired performance, and post-sampling to calculate the confidence in characterization and clearance decisions.

  19. Drop-on-demand sample introduction system coupled with the flowing atmospheric-pressure afterglow for direct molecular analysis of complex liquid microvolume samples.

    Science.gov (United States)

    Schaper, J Niklas; Pfeuffer, Kevin P; Shelley, Jacob T; Bings, Nicolas H; Hieftje, Gary M

    2012-11-06

    One of the fastest developing fields in analytical spectrochemistry in recent years is ambient desorption/ionization mass spectrometry (ADI-MS). This burgeoning interest has been due to the demonstrated advantages of the method: simple mass spectra, little or no sample preparation, and applicability to samples in the solid, liquid, or gaseous state. One such ADI-MS source, the flowing atmospheric-pressure afterglow (FAPA), is capable of direct analysis of solids just by aiming the source at the solid surface and sampling the produced ions into a mass spectrometer. However, direct introduction of significant volumes of liquid samples into this source has not been possible, as solvent loads can quench the afterglow and, thus, the formation of reagent ions. As a result, the analysis of liquid samples is preferably carried out by analyzing dried residues or by desorbing small amounts of liquid samples directly from the liquid surface. In the former case, reproducibility of sample introduction is crucial if quantitative results are desired. In the present study, introduction of liquid samples as very small droplets helps overcome the issues of sample positioning and reduced levels of solvent intake. A recently developed "drop-on-demand" (DOD) aerosol generator is capable of reproducibly producing very small volumes of liquid (∼17 pL). In this paper, the coupling of FAPA-MS and DOD is reported and applications are suggested. Analytes representing different classes of substances were tested and limits of detections were determined. Matrix tolerance was investigated for drugs of abuse and their metabolites by analyzing raw urine samples and quantification without the use of internal standards. Limits of detection below 2 μg/mL, without sample pretreatment, were obtained.

  20. "Best Practices in Using Large, Complex Samples: The Importance of Using Appropriate Weights and Design Effect Compensation"

    Directory of Open Access Journals (Sweden)

    Jason W. Osborne

    2011-09-01

    Full Text Available Large surveys often use probability sampling in order to obtain representative samples, and these data sets are valuable tools for researchers in all areas of science. Yet many researchers are not formally prepared to appropriately utilize these resources. Indeed, users of one popular dataset were generally found not to have modeled the analyses to take account of the complex sample (Johnson & Elliott, 1998 even when publishing in highly-regarded journals. It is well known that failure to appropriately model the complex sample can substantially bias the results of the analysis. Examples presented in this paper highlight the risk of error of inference and mis-estimation of parameters from failure to analyze these data sets appropriately.

  1. Formation mechanism of a silane-PVA/PVAc complex film on a glass fiber surface.

    Science.gov (United States)

    Repovsky, Daniel; Jane, Eduard; Palszegi, Tibor; Slobodnik, Marek; Velic, Dusan

    2013-10-21

    Mechanical properties of glass fiber reinforced composite materials are affected by fiber sizing. A complex film formation, based on a silane film and PVA/PVAc (polyvinyl alcohol/polyvinyl acetate) microspheres on a glass fiber surface is determined at 1) the nanoscale by using atomic force microscopy (AFM), and 2) the macroscale by using the zeta potential. Silane groups strongly bind through the Si-O-Si bond to the glass surface, which provides the attachment mechanism as a coupling agent. The silane groups form islands, a homogeneous film, as well as empty sites. The average roughness of the silanized surface is 6.5 nm, whereas it is only 0.6 nm for the non-silanized surface. The silane film vertically penetrates in a honeycomb fashion from the glass surface through the deposited PVA/PVAc microspheres to form a hexagonal close pack structure. The silane film not only penetrates, but also deforms the PVA/PVAc microspheres from the spherical shape in a dispersion to a ellipsoidal shape on the surface with average dimensions of 300/600 nm. The surface area value Sa represents an area of PVA/PVAc microspheres that are not affected by the silane penetration. The areas are found to be 0.2, 0.08, and 0.03 μm(2) if the ellipsoid sizes are 320/570, 300/610, and 270/620 nm for silane concentrations of 0, 3.8, and 7.2 μg mL(-1), respectively. The silane film also moves PVA/PVAc microspheres in the process of complex film formation, from the low silane concentration areas to the complex film area providing enough silane groups to stabilize the structure. The values for the residual silane honeycomb structure heights (Ha ) are 6.5, 7, and 12 nm for silane concentrations of 3.8, 7.2, and 14.3 μg mL(-1), respectively. The pH-dependent zeta-potential results suggest a specific role of the silane groups with effects on the glass fiber surface and also on the PVA/PVAc microspheres. The non-silanized glass fiber surface and the silane film have similar zeta potentials ranging

  2. Surface Structures Formed by a Copper(II Complex of Alkyl-Derivatized Indigo

    Directory of Open Access Journals (Sweden)

    Akinori Honda

    2016-10-01

    Full Text Available Assembled structures of dyes have great influence on their coloring function. For example, metal ions added in the dyeing process are known to prevent fading of color. Thus, we have investigated the influence of an addition of copper(II ion on the surface structure of alkyl-derivatized indigo. Scanning tunneling microscope (STM analysis revealed that the copper(II complexes of indigo formed orderly lamellar structures on a HOPG substrate. These lamellar structures of the complexes are found to be more stable than those of alkyl-derivatized indigos alone. Furthermore, 2D chirality was observed.

  3. Evaluation of Skin Surface as an Alternative Source of Reference DNA Samples: A Pilot Study.

    Science.gov (United States)

    Albujja, Mohammed H; Bin Dukhyil, Abdul Aziz; Chaudhary, Abdul Rauf; Kassab, Ahmed Ch; Refaat, Ahmed M; Babu, Saranya Ramesh; Okla, Mohammad K; Kumar, Sachil

    2018-01-01

    An acceptable area for collecting DNA reference sample is a part of the forensic DNA analysis development. The aim of this study was to evaluate skin surface cells (SSC) as an alternate source of reference DNA sample. From each volunteer (n = 10), six samples from skin surface areas (forearm and fingertips) and two traditional samples (blood and buccal cells) were collected. Genomic DNA was extracted and quantified then genotyped using standard techniques. The highest DNA concentration of SSC samples was collected using the tape/forearm method of collection (2.1 ng/μL). Cotton swabs moistened with ethanol yielded higher quantities of DNA than swabs moistened with salicylic acid, and it gave the highest percentage of full STR profiles (97%). This study supports the use of SSC as a noninvasive sampling technique and as a extremely useful source of DNA reference samples among certain cultures where the use of buccal swabs can be considered socially unacceptable. © 2017 American Academy of Forensic Sciences.

  4. Determination of aluminium in groundwater samples by GF-AAS, ICP-AES, ICP-MS and modelling of inorganic aluminium complexes.

    Science.gov (United States)

    Frankowski, Marcin; Zioła-Frankowska, Anetta; Kurzyca, Iwona; Novotný, Karel; Vaculovič, Tomas; Kanický, Viktor; Siepak, Marcin; Siepak, Jerzy

    2011-11-01

    The paper presents the results of aluminium determinations in ground water samples of the Miocene aquifer from the area of the city of Poznań (Poland). The determined aluminium content amounted from aluminium determinations were performed using three analytical techniques: graphite furnace atomic absorption spectrometry (GF-AAS), inductively coupled plasma atomic emission spectrometry (ICP-AES) and inductively coupled plasma mass spectrometry (ICP-MS). The results of aluminium determinations in groundwater samples for particular analytical techniques were compared. The results were used to identify the ascent of ground water from the Mesozoic aquifer to the Miocene aquifer in the area of the fault graben. Using the Mineql+ program, the modelling of the occurrence of aluminium and the following aluminium complexes: hydroxy, with fluorides and sulphates was performed. The paper presents the results of aluminium determinations in ground water using different analytical techniques as well as the chemical modelling in the Mineql+ program, which was performed for the first time and which enabled the identification of aluminium complexes in the investigated samples. The study confirms the occurrence of aluminium hydroxy complexes and aluminium fluoride complexes in the analysed groundwater samples. Despite the dominance of sulphates and organic matter in the sample, major participation of the complexes with these ligands was not stated based on the modelling.

  5. Copper complexing ligands and organic matter characterization in the northern Adriatic Sea

    Science.gov (United States)

    Plavšić, Marta; Gašparović, Blaženka; Strmečki, Slađana; Vojvodić, Vjeročka; Tepić, Nataša

    2009-11-01

    The study on dissolved organic ligands capable to complex copper ions (L T), surface-active substances (SAS) and dissolved organic carbon (DOC) in the Northern Adriatic Sea station (ST 101) under the influence of Po River was conducted in period from 2006-2008. The acidity of surface-active organic material (Ac r) was followed as well. The results are compared to temperature and salinity distributions. On that way, the contribution of the different pools of ligands capable to complex Cu ions could be determined as well as the influence of aging and transformation of the organic matter. The L T values in the investigated period were in the range of 40-300 nmol l -1. The range of DOC values for surface and bottom samples were 0.84-1.87 mg l -1 and 0.80-1.30 mg l -1, respectively. Total SAS concentrations in the bottom layer were 0.045-0.098 mg l -1 in equiv. of Triton-X-100 while those in the surface layer were 0.050-0.143 mg l -1 in equiv. of Triton-X-100. The majority of organic ligands responsible for Cu binding in surface water originate from new phytoplankton production promoted by river borne nutrients. Older, transformed organic matter, possessing higher relative acidity, is the main contributor to the pool of organic ligands that bind copper in the bottom samples. It was estimated that ˜9% of DOC in surface samples and ˜12% of DOC in the bottom samples are present as ligands capable to complex copper ions.

  6. Direct observation of surface reconstruction and termination on a complex metal oxide catalyst by electron microscopy

    KAUST Repository

    Zhu, Yihan

    2012-03-19

    On the surface: The surface reconstruction of an MoVTeO complex metal oxide catalyst was observed directly by various electron microscopic techniques and the results explain the puzzling catalytic behavior. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Adaptation of G-TAG Software for Validating Touch-and-Go Comet Surface Sampling Design Methodology

    Science.gov (United States)

    Mandic, Milan; Acikmese, Behcet; Blackmore, Lars

    2011-01-01

    The G-TAG software tool was developed under the R&TD on Integrated Autonomous Guidance, Navigation, and Control for Comet Sample Return, and represents a novel, multi-body dynamics simulation software tool for studying TAG sampling. The G-TAG multi-body simulation tool provides a simulation environment in which a Touch-and-Go (TAG) sampling event can be extensively tested. TAG sampling requires the spacecraft to descend to the surface, contact the surface with a sampling collection device, and then to ascend to a safe altitude. The TAG event lasts only a few seconds but is mission-critical with potentially high risk. Consequently, there is a need for the TAG event to be well characterized and studied by simulation and analysis in order for the proposal teams to converge on a reliable spacecraft design. This adaptation of the G-TAG tool was developed to support the Comet Odyssey proposal effort, and is specifically focused to address comet sample return missions. In this application, the spacecraft descends to and samples from the surface of a comet. Performance of the spacecraft during TAG is assessed based on survivability and sample collection performance. For the adaptation of the G-TAG simulation tool to comet scenarios, models are developed that accurately describe the properties of the spacecraft, approach trajectories, and descent velocities, as well as the models of the external forces and torques acting on the spacecraft. The adapted models of the spacecraft, descent profiles, and external sampling forces/torques were more sophisticated and customized for comets than those available in the basic G-TAG simulation tool. Scenarios implemented include the study of variations in requirements, spacecraft design (size, locations, etc. of the spacecraft components), and the environment (surface properties, slope, disturbances, etc.). The simulations, along with their visual representations using G-View, contributed to the Comet Odyssey New Frontiers proposal

  8. Surface complexation modeling of the effects of phosphate on uranium(VI) adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Romero-Gonzalez, M.R.; Cheng, T.; Barnett, M.O. [Auburn Univ., AL (United States). Dept. of Civil Engeneering; Roden, E.E. [Wisconsin Univ., Madison, WI (United States). Dept. of Geology and Geophysics

    2007-07-01

    Previous published data for the adsorption of U(VI) and/or phosphate onto amorphous Fe(III) oxides (hydrous ferric oxide, HFO) and crystalline Fe(III) oxides (goethite) was examined. These data were then used to test the ability of a commonly-used surface complexation model (SCM) to describe the adsorption of U(VI) and phosphate onto pure amorphous and crystalline Fe(III) oxides and synthetic goethite-coated sand, a surrogate for a natural Fe(III)-coated material, using the component additivity (CA) approach. Our modeling results show that this model was able to describe U(VI) adsorption onto both amorphous and crystalline Fe(III) oxides and also goethite-coated sand quite well in the absence of phosphate. However, because phosphate adsorption exhibits a stronger dependence on Fe(III) oxide type than U(VI) adsorption, we could not use this model to consistently describe phosphate adsorption onto both amorphous and crystalline Fe(III) oxides and goethite-coated sand. However, the effects of phosphate on U(VI) adsorption could be incorporated into the model to describe U(VI) adsorption to both amorphous and crystalline Fe(III) oxides and goethite-coated sand, at least for an initial approximation. These results illustrate both the potential and limitations of using surface complexation models developed from pure systems to describe metal/radionuclide adsorption under more complex conditions. (orig.)

  9. Surface complexation modeling of the effects of phosphate on uranium(VI) adsorption

    International Nuclear Information System (INIS)

    Romero-Gonzalez, M.R.; Cheng, T.; Barnett, M.O.; Roden, E.E.

    2007-01-01

    Previous published data for the adsorption of U(VI) and/or phosphate onto amorphous Fe(III) oxides (hydrous ferric oxide, HFO) and crystalline Fe(III) oxides (goethite) was examined. These data were then used to test the ability of a commonly-used surface complexation model (SCM) to describe the adsorption of U(VI) and phosphate onto pure amorphous and crystalline Fe(III) oxides and synthetic goethite-coated sand, a surrogate for a natural Fe(III)-coated material, using the component additivity (CA) approach. Our modeling results show that this model was able to describe U(VI) adsorption onto both amorphous and crystalline Fe(III) oxides and also goethite-coated sand quite well in the absence of phosphate. However, because phosphate adsorption exhibits a stronger dependence on Fe(III) oxide type than U(VI) adsorption, we could not use this model to consistently describe phosphate adsorption onto both amorphous and crystalline Fe(III) oxides and goethite-coated sand. However, the effects of phosphate on U(VI) adsorption could be incorporated into the model to describe U(VI) adsorption to both amorphous and crystalline Fe(III) oxides and goethite-coated sand, at least for an initial approximation. These results illustrate both the potential and limitations of using surface complexation models developed from pure systems to describe metal/radionuclide adsorption under more complex conditions. (orig.)

  10. Surface rheological properties of liquid-liquid interfaces stabilized by protein fibrillar aggregates and protein-polysaccharide complexes

    NARCIS (Netherlands)

    Humblet-Hua, K.N.P.; Linden, van der E.; Sagis, L.M.C.

    2013-01-01

    In this study we have investigated the surface rheological properties of oil-water interfaces stabilized by fibrils from lysozyme (long and semi-flexible and short and rigid ones), fibrils from ovalbumin (short and semi-flexible), lysozyme-pectin complexes, or ovalbumin-pectin complexes. We have

  11. Surface Characterization of Nb Samples Electro-polished Together With Real Superconducting Radio-frequency Accelerator Cavities

    International Nuclear Information System (INIS)

    Zhao, Xin; Geng, Rong-Li; Tyagi, P.V.; Hayano, Hitoshi; Kato, Shigeki; Nishiwaki, Michiru; Saeki, Takayuki; Sawabe, Motoaki

    2010-01-01

    We report the results of surface characterizations of niobium (Nb) samples electropolished together with a single cell superconducting radio-frequency accelerator cavity. These witness samples were located in three regions of the cavity, namely at the equator, the iris and the beam-pipe. Auger electron spectroscopy (AES) was utilized to probe the chemical composition of the topmost four atomic layers. Scanning electron microscopy with energy dispersive X-ray for elemental analysis (SEM/EDX) was used to observe the surface topography and chemical composition at the micrometer scale. A few atomic layers of sulfur (S) were found covering the samples non-uniformly. Niobium oxide granules with a sharp geometry were observed on every sample. Some Nb-O granules appeared to also contain sulfur.

  12. May 2012 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    International Nuclear Information System (INIS)

    2012-01-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 9-10, 2012, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location Johnson Artesian WL. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry and for tritium using the conventional and enrichment methods. Results of this monitoring at the Rio Blanco site demonstrate that groundwater and surface water outside the site boundaries have not been affected by project-related contaminants.

  13. Cell surface clustering of Cadherin adhesion complex induced by antibody coated beads

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Cadherin receptors mediate cell-cell adhesion, signal transduction and assembly of cytoskeletons. How a single transmembrane molecule Cadherin can be involved in multiple functions through modulating its binding activities with many membrane adhesion molecules and cytoskeletal components is an unanswered question which can be elucidated by clues from bead experiments. Human lung cells expressing N-Cadherin were examined. After co-incubation with anti-N-Cadherin monoclonal antibody coated beads, cell surface clustering of N-Cadherin was induced. Immunofluorescent detection demonstrated that in addition to Cadherin, β-Catenin, α-Catenin, α-Actinin and Actin fluorescence also aggregated respectively at the membrane site of bead attachment. Myosin heavy chain (MHC), another major component of Actin cytoskeleton, did not aggregate at the membrane site of bead attachment. Adhesion unrelated protein Con A and polylysine conjugated beads did not induce the clustering of adhesion molecules. It is indicated that the Cadherin/Catenins/α-Actinin/Actin complex is formed at Cadherin mediated cell adherens junction; occupancy and cell surface clustering of Cadherin is crucial for the formation of Cadherin adhesion protein complexes.

  14. Surface stabilized GMR nanorods of silver coated CrO2 synthesized via a polymer complex at ambient pressure

    Science.gov (United States)

    Biswas, S.; Singh, G. P.; Ram, S.; Fecht, H.-J.

    2013-08-01

    Stable anisotropic nanorods of surface modified CrO2 (˜18 nm diameter) with a correlated diamagnetic layer (2-3 nm thickness) of silver efficiently tailors useful magnetic and magnetoresistance (MR) properties. Essentially, it involves a core-shell structure that is developed by displacing part of Cr4+ ions by Ag atoms on the CrO2 surface (topotactic surface layer) via an etching reaction of a CrO2-polymer complex with Ag+ ions in hot water followed by heating the dried sample at 300-400 °C in air. The stable Ag-layer so obtained in the form of a shell protects CrO2 such that it no longer converts to Cr2O3 in ambient pressure during the processing. X-ray diffractogram of the Rutile type tetragonal CrO2 structure (lattice parameters a=0.4429 nm and c=0.2950 nm) includes weak peaks of a minority phase of an fcc-Ag (a=0.4086 nm). The silver surface layer, which manifests itself in a doublet of the 3d5/2 and 3d3/2 X-ray photoelectron bands of binding energies 368.46 eV and 374.48 eV, respectively, suppresses almost all Cr bands to appear in a measurable intensity. The sample exhibits a distinctly enhanced MR-value, e.g., (-) 7.6% at 77 K, than reported values in compacted CrO2 powders or composites. Such a large MR-value in the Coulomb blockade regime (<100 K) arises not only due to the suppressed spin flipping at low temperature but also from a spin dependent co-tunneling through an interlinked structure of silver and silver coated CrO2 nanorods.

  15. Calculation of parameter failure probability of thermodynamic system by response surface and importance sampling method

    International Nuclear Information System (INIS)

    Shang Yanlong; Cai Qi; Chen Lisheng; Zhang Yangwei

    2012-01-01

    In this paper, the combined method of response surface and importance sampling was applied for calculation of parameter failure probability of the thermodynamic system. The mathematics model was present for the parameter failure of physics process in the thermodynamic system, by which the combination arithmetic model of response surface and importance sampling was established, then the performance degradation model of the components and the simulation process of parameter failure in the physics process of thermodynamic system were also present. The parameter failure probability of the purification water system in nuclear reactor was obtained by the combination method. The results show that the combination method is an effective method for the calculation of the parameter failure probability of the thermodynamic system with high dimensionality and non-linear characteristics, because of the satisfactory precision with less computing time than the direct sampling method and the drawbacks of response surface method. (authors)

  16. A coupled mass transfer and surface complexation model for uranium (VI) removal from wastewaters

    International Nuclear Information System (INIS)

    Lenhart, J.; Figueroa, L.A.; Honeyman, B.D.

    1994-01-01

    A remediation technique has been developed for removing uranium (VI) from complex contaminated groundwater using flake chitin as a biosorbent in batch and continuous flow configurations. With this system, U(VI) removal efficiency can be predicted using a model that integrates surface complexation models, mass transport limitations and sorption kinetics. This integration allows the reactor model to predict removal efficiencies for complex groundwaters with variable U(VI) concentrations and other constituents. The system has been validated using laboratory-derived kinetic data in batch and CSTR systems to verify the model predictions of U(VI) uptake from simulated contaminated groundwater

  17. Processing a Complex Architectural Sampling with Meshlab: the Case of Piazza della Signoria

    Science.gov (United States)

    Callieri, M.; Cignoni, P.; Dellepiane, M.; Ranzuglia, G.; Scopigno, R.

    2011-09-01

    The paper presents a recent 3D scanning project performed with long range scanning technology showing how a complex sampled dataset can be processed with the features available in MeshLab, an open source tool. MeshLab is an open source mesh processing system. It is a portable and extensible system aimed to help the processing of the typical not-so-small unstructured models that arise in 3D scanning, providing a set of tools for editing, cleaning, processing, inspecting, rendering and converting meshes. The MeshLab system started in late 2005 as a part of a university course, and considerably evolved since then thanks to the effort of the Visual Computing Lab and of the support of several funded EC projects. MeshLab gained so far an excellent visibility and distribution, with several thousands downloads every month, and a continuous evolution. The aim of this scanning campaign was to sample the façades of the buildings located in Piazza della Signoria (Florence, Italy). This digital 3D model was required, in the framework of a Regional Project, as a basic background model to present a complex set of images using a virtual navigation metaphor (following the PhotoSynth approach). Processing of complex dataset, such as the ones produced by long range scanners, often requires specialized, difficult to use and costly software packages. We show in the paper how it is possible to process this kind of data inside an open source tool, thanks to the many new features recently introduced in MeshLab for the management of large sets of sampled point.

  18. Synthesis in situ of gold nanoparticles by a dialkynyl Fischer carbene complex anchored to glass surfaces

    International Nuclear Information System (INIS)

    Bertolino, María Candelaria; Granados, Alejandro Manuel

    2016-01-01

    Highlights: • Fischer carbene 1-W reacts via cycloaddition without Cu(I) with azide terminal surface. • This reaction on the surface is regioselective to internal triple bond of 1-W. • 1-W bound to glass surface produce AuNps in situ fixed to the surface. • This ability is independent of how 1-W is bonded to the surface. • This hybrid surface can be valuable as SERS substrate or in heterogeneous catalysis. - Abstract: In this work we present a detailed study of classic reactions such as “click reaction” and nucleophilic substitution reaction but on glass solid surface (slides). We used different reactive center of a dialkynylalcoxy Fischer carbene complex of tungsten(0) to be anchored to modified glass surface with amine, to obtain aminocarbene, and azide terminal groups. These cycloaddition reaction showed regioselectivity to internal triple bond of dialkynyl Fischer carbene complex without Cu(I) as catalyst. Anyway the carbene anchored was able to act as a reducing agent to produce in situ very stable gold nanoparticles fixed on surface. We showed the characterization of modified glasses by contact angle measurements and XPS. Synthesized nanoparticles were characterized by SEM, XPS, EDS and UV–vis. The modified glasses showed an important enhancement Raman-SERS. This simple, fast and robust method to create a polifunctional and hybrid surfaces can be valuable in a wide range of applications such as Raman-SERS substrates and other optical fields.

  19. Synthesis in situ of gold nanoparticles by a dialkynyl Fischer carbene complex anchored to glass surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bertolino, María Candelaria, E-mail: cbertolino@fcq.unc.edu.ar; Granados, Alejandro Manuel, E-mail: ale@fcq.unc.edu.ar

    2016-10-15

    Highlights: • Fischer carbene 1-W reacts via cycloaddition without Cu(I) with azide terminal surface. • This reaction on the surface is regioselective to internal triple bond of 1-W. • 1-W bound to glass surface produce AuNps in situ fixed to the surface. • This ability is independent of how 1-W is bonded to the surface. • This hybrid surface can be valuable as SERS substrate or in heterogeneous catalysis. - Abstract: In this work we present a detailed study of classic reactions such as “click reaction” and nucleophilic substitution reaction but on glass solid surface (slides). We used different reactive center of a dialkynylalcoxy Fischer carbene complex of tungsten(0) to be anchored to modified glass surface with amine, to obtain aminocarbene, and azide terminal groups. These cycloaddition reaction showed regioselectivity to internal triple bond of dialkynyl Fischer carbene complex without Cu(I) as catalyst. Anyway the carbene anchored was able to act as a reducing agent to produce in situ very stable gold nanoparticles fixed on surface. We showed the characterization of modified glasses by contact angle measurements and XPS. Synthesized nanoparticles were characterized by SEM, XPS, EDS and UV–vis. The modified glasses showed an important enhancement Raman-SERS. This simple, fast and robust method to create a polifunctional and hybrid surfaces can be valuable in a wide range of applications such as Raman-SERS substrates and other optical fields.

  20. Broadband Ftmw Spectroscopy of the Urea-Argon and Thiourea-Argon Complexes

    Science.gov (United States)

    Medcraft, Chris; Bittner, Dror M.; Cooper, Graham A.; Mullaney, John C.; Walker, Nick

    2017-06-01

    The rotational spectra complexes of argon-urea, argon-thiourea and water-thiourea have been measured by chirped-pulse Fourier transform microwave spectroscopy from 2-18.5 GHz. The sample was produced via laser vaporisation of a rod containing copper and the organic sample as a stream of argon was passed over the surface and subsequently expanded into the vacuum chamber cooling the sample. Argon was found to bind to π system of the carbonyl bond for both the urea and thiourea complexes.

  1. Y-12 Groundwater Protection Program Groundwater And Surface Water Sampling And Analysis Plan For Calendar Year 2012

    Energy Technology Data Exchange (ETDEWEB)

    Elvado Environmental, LLC

    2011-09-01

    This plan provides a description of the groundwater and surface water quality monitoring activities planned for calendar year (CY) 2012 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (Y-12) that will be managed by the Y-12 Groundwater Protection Program (GWPP). Groundwater and surface water monitoring performed by the GWPP during CY 2012 is in accordance with the following goals: (1) to protect the worker, the public, and the environment; (2) to maintain surveillance of existing and potential groundwater contamination sources; (3) to provide for the early detection of groundwater contamination and determine the quality of groundwater and surface water where contaminants are most likely to migrate beyond the Oak Ridge Reservation property line; (4) to identify and characterize long-term trends in groundwater quality at Y-12; and (5) to provide data to support decisions concerning the management and protection of groundwater resources. Groundwater and surface water monitoring will be performed in three hydrogeologic regimes at Y-12: the Bear Creek Hydrogeologic Regime (Bear Creek Regime), the Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime), and the Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime). The Bear Creek and East Fork regimes are located in Bear Creek Valley and the Chestnut Ridge Regime is located south of Y-12 (Figure A.1). Additional surface water monitoring will be performed north of Pine Ridge along the boundary of the Oak Ridge Reservation. Modifications to the CY 2012 monitoring program may be necessary during implementation. Changes in programmatic requirements may alter the analytes specified for selected monitoring wells or may add or remove wells from the planned monitoring network. Each modification to the monitoring program will be approved by the Y-12 GWPP manager and documented as an addendum to this sampling and analysis plan. The following sections of this report provide details regarding

  2. Evaluation of Two Surface Sampling Methods for Microbiological and Chemical Analyses To Assess the Presence of Biofilms in Food Companies.

    Science.gov (United States)

    Maes, Sharon; Huu, Son Nguyen; Heyndrickx, Marc; Weyenberg, Stephanie van; Steenackers, Hans; Verplaetse, Alex; Vackier, Thijs; Sampers, Imca; Raes, Katleen; Reu, Koen De

    2017-12-01

    Biofilms are an important source of contamination in food companies, yet the composition of biofilms in practice is still mostly unknown. The chemical and microbiological characterization of surface samples taken after cleaning and disinfection is very important to distinguish free-living bacteria from the attached bacteria in biofilms. In this study, sampling methods that are potentially useful for both chemical and microbiological analyses of surface samples were evaluated. In the manufacturing facilities of eight Belgian food companies, surfaces were sampled after cleaning and disinfection using two sampling methods: the scraper-flocked swab method and the sponge stick method. Microbiological and chemical analyses were performed on these samples to evaluate the suitability of the sampling methods for the quantification of extracellular polymeric substance components and microorganisms originating from biofilms in these facilities. The scraper-flocked swab method was most suitable for chemical analyses of the samples because the material in these swabs did not interfere with determination of the chemical components. For microbiological enumerations, the sponge stick method was slightly but not significantly more effective than the scraper-flocked swab method. In all but one of the facilities, at least 20% of the sampled surfaces had more than 10 2 CFU/100 cm 2 . Proteins were found in 20% of the chemically analyzed surface samples, and carbohydrates and uronic acids were found in 15 and 8% of the samples, respectively. When chemical and microbiological results were combined, 17% of the sampled surfaces were contaminated with both microorganisms and at least one of the analyzed chemical components; thus, these surfaces were characterized as carrying biofilm. Overall, microbiological contamination in the food industry is highly variable by food sector and even within a facility at various sampling points and sampling times.

  3. Using AFM to probe the complexation of DNA with anionic lipids mediated by Ca(2+): the role of surface pressure.

    Science.gov (United States)

    Luque-Caballero, Germán; Martín-Molina, Alberto; Sánchez-Treviño, Alda Yadira; Rodríguez-Valverde, Miguel A; Cabrerizo-Vílchez, Miguel A; Maldonado-Valderrama, Julia

    2014-04-28

    Complexation of DNA with lipids is currently being developed as an alternative to classical vectors based on viruses. Most of the research to date focuses on cationic lipids owing to their spontaneous complexation with DNA. Nonetheless, recent investigations have revealed that cationic lipids induce a large number of adverse effects on DNA delivery. Precisely, the lower cytotoxicity of anionic lipids accounts for their use as a promising alternative. However, the complexation of DNA with anionic lipids (mediated by cations) is still in early stages and is not yet well understood. In order to explore the molecular mechanisms underlying the complexation of anionic lipids and DNA we proposed a combined methodology based on the surface pressure-area isotherms, Gibbs elasticity and Atomic Force Microscopy (AFM). These techniques allow elucidation of the role of the surface pressure in the complexation and visualization of the interfacial aggregates for the first time. We demonstrate that the DNA complexes with negatively charged model monolayers (DPPC/DPPS 4 : 1) only in the presence of Ca(2+), but is expelled at very high surface pressures. Also, according to the Gibbs elasticity plot, the complexation of lipids and DNA implies a whole fluidisation of the monolayer and a completely different phase transition map in the presence of DNA and Ca(2+). AFM imaging allows identification for the first time of specific morphologies associated with different packing densities. At low surface coverage, a branched net like structure is observed whereas at high surface pressure fibers formed of interfacial aggregates appear. In summary, Ca(2+) mediates the interaction between DNA and negatively charged lipids and also the conformation of the ternary system depends on the surface pressure. Such observations are important new generic features of the interaction between DNA and anionic lipids.

  4. Constraining the Surface Energy Balance of Snow in Complex Terrain

    Science.gov (United States)

    Lapo, Karl E.

    Physically-based snow models form the basis of our understanding of current and future water and energy cycles, especially in mountainous terrain. These models are poorly constrained and widely diverge from each other, demonstrating a poor understanding of the surface energy balance. This research aims to improve our understanding of the surface energy balance in regions of complex terrain by improving our confidence in existing observations and improving our knowledge of remotely sensed irradiances (Chapter 1), critically analyzing the representation of boundary layer physics within land models (Chapter 2), and utilizing relatively novel observations to in the diagnoses of model performance (Chapter 3). This research has improved the understanding of the literal and metaphorical boundary between the atmosphere and land surface. Solar irradiances are difficult to observe in regions of complex terrain, as observations are subject to harsh conditions not found in other environments. Quality control methods were developed to handle these unique conditions. These quality control methods facilitated an analysis of estimated solar irradiances over mountainous environments. Errors in the estimated solar irradiance are caused by misrepresenting the effect of clouds over regions of topography and regularly exceed the range of observational uncertainty (up to 80Wm -2) in all regions examined. Uncertainty in the solar irradiance estimates were especially pronounced when averaging over high-elevation basins, with monthly differences between estimates up to 80Wm-2. These findings can inform the selection of a method for estimating the solar irradiance and suggest several avenues of future research for improving existing methods. Further research probed the relationship between the land surface and atmosphere as it pertains to the stable boundary layers that commonly form over snow-covered surfaces. Stable conditions are difficult to represent, especially for low wind speed

  5. Sampling and Low-Rank Tensor Approximation of the Response Surface

    KAUST Repository

    Litvinenko, Alexander; Matthies, Hermann Georg; El-Moselhy, Tarek A.

    2013-01-01

    Most (quasi)-Monte Carlo procedures can be seen as computing some integral over an often high-dimensional domain. If the integrand is expensive to evaluate-we are thinking of a stochastic PDE (SPDE) where the coefficients are random fields and the integrand is some functional of the PDE-solution-there is the desire to keep all the samples for possible later computations of similar integrals. This obviously means a lot of data. To keep the storage demands low, and to allow evaluation of the integrand at points which were not sampled, we construct a low-rank tensor approximation of the integrand over the whole integration domain. This can also be viewed as a representation in some problem-dependent basis which allows a sparse representation. What one obtains is sometimes called a "surrogate" or "proxy" model, or a "response surface". This representation is built step by step or sample by sample, and can already be used for each new sample. In case we are sampling a solution of an SPDE, this allows us to reduce the number of necessary samples, namely in case the solution is already well-represented by the low-rank tensor approximation. This can be easily checked by evaluating the residuum of the PDE with the approximate solution. The procedure will be demonstrated in the computation of a compressible transonic Reynolds-averaged Navier-Strokes flow around an airfoil with random/uncertain data. © Springer-Verlag Berlin Heidelberg 2013.

  6. Inner-sphere, outer-sphere and ternary surface complexes: a TRLFS study of the sorption process of europium(III) onto smectite

    International Nuclear Information System (INIS)

    Stumpf, Th.; Fanghaenel, Th.; Bauer, A.; Kim, J.I.

    2002-01-01

    The surface sorption process of Eu(III) onto smectite was investigated by TRLFS in the trace concentration range. With increasing pH the formation of an inner-sphere Eu(III) surface complex was observed. The differences in the spectra and the fluorescence emission lifetimes of the surface sorbed Eu(III) in presence and absence of carbonate indicate the formation of ternary clay/Eu(III)/carbonate complexes /1/. (orig.)

  7. Guest-Host Complex Formed between Ascorbic Acid and β-Cyclodextrin Immobilized on the Surface of an Electrode

    Directory of Open Access Journals (Sweden)

    María Teresa Ramírez-Silva

    2014-05-01

    Full Text Available This work deals with the formation of supramolecular complexes between ascorbic acid (AA, the guest, and β-cyclodextrin (β-CD, the host, that was first potentiodynamically immobilized on the surface of a carbon paste electrode (CPE throughout the formation of a β-CD-based conducting polymer (poly-β-CD. With the bare CPE and the β-CD-modified CPE, an electrochemical study was performed to understand the effect of such surface modification on the electrochemical response of the AA. From this study it was shown that on the modified-CPE, the AA was surface-immobilized through formation of an inclusion complex with β-CD, which provoked the adsorption of AA in such a way that this stage became the limiting step for the electrochemical oxidation of AA. Moreover, from the analysis of the experimental voltammetric plots recorded during AA oxidation on the CPE/poly-β-CD electrode surfaces, the Gibbs’ standard free energy of the inclusion complex formed by the oxidation product of AA and β-CD has been determined for the first time, ∆G0inclus = −36.4 kJ/mol.

  8. Surface complexation modeling of uranyl adsorption on corrensite from the Waste Isolation Pilot Plant Site

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sang-Won; Leckie, J.O. [Stanford Univ., CA (United States); Siegel, M.D. [Sandia National Labs., Albuquerque, NM (United States)

    1995-09-01

    Corrensite is the dominant clay mineral in the Culebra Dolomite at the Waste Isolation Pilot Plant. The surface characteristics of corrensite, a mixed chlorite/smectite clay mineral, have been studied. Zeta potential measurements and titration experiments suggest that the corrensite surface contains a mixture of permanent charge sites on the basal plane and SiOH and AlOH sites with a net pH-dependent charge at the edge of the clay platelets. Triple-layer model parameters were determined by the double extrapolation technique for use in chemical speciation calculations of adsorption reactions using the computer program HYDRAQL. Batch adsorption studies showed that corrensite is an effective adsorbent for uranyl. The pH-dependent adsorption behavior indicates that adsorption occurs at the edge sites. Adsorption studies were also conducted in the presence of competing cations and complexing ligands. The cations did not affect uranyl adsorption in the range studied. This observation lends support to the hypothesis that uranyl adsorption occurs at the edge sites. Uranyl adsorption was significantly hindered by carbonate. It is proposed that the formation of carbonate uranyl complexes inhibits uranyl adsorption and that only the carbonate-free species adsorb to the corrensite surface. The presence of the organic complexing agents EDTA and oxine also inhibits uranyl sorption.

  9. Surface complexation modeling of uranyl adsorption on corrensite from the Waste Isolation Pilot Plant Site

    International Nuclear Information System (INIS)

    Park, Sang-Won; Leckie, J.O.; Siegel, M.D.

    1995-09-01

    Corrensite is the dominant clay mineral in the Culebra Dolomite at the Waste Isolation Pilot Plant. The surface characteristics of corrensite, a mixed chlorite/smectite clay mineral, have been studied. Zeta potential measurements and titration experiments suggest that the corrensite surface contains a mixture of permanent charge sites on the basal plane and SiOH and AlOH sites with a net pH-dependent charge at the edge of the clay platelets. Triple-layer model parameters were determined by the double extrapolation technique for use in chemical speciation calculations of adsorption reactions using the computer program HYDRAQL. Batch adsorption studies showed that corrensite is an effective adsorbent for uranyl. The pH-dependent adsorption behavior indicates that adsorption occurs at the edge sites. Adsorption studies were also conducted in the presence of competing cations and complexing ligands. The cations did not affect uranyl adsorption in the range studied. This observation lends support to the hypothesis that uranyl adsorption occurs at the edge sites. Uranyl adsorption was significantly hindered by carbonate. It is proposed that the formation of carbonate uranyl complexes inhibits uranyl adsorption and that only the carbonate-free species adsorb to the corrensite surface. The presence of the organic complexing agents EDTA and oxine also inhibits uranyl sorption

  10. Structure and reactivity of oxalate surface complexes on lepidocrocite derived from infrared spectroscopy, DFT-calculations, adsorption, dissolution and photochemical experiments

    Science.gov (United States)

    Borowski, Susan C.; Biswakarma, Jagannath; Kang, Kyounglim; Schenkeveld, Walter D. C.; Hering, Janet G.; Kubicki, James D.; Kraemer, Stephan M.; Hug, Stephan J.

    2018-04-01

    Oxalate, together with other ligands, plays an important role in the dissolution of iron(hdyr)oxides and the bio-availability of iron. The formation and properties of oxalate surface complexes on lepidocrocite were studied with a combination of infrared spectroscopy (IR), density functional theory (DFT) calculations, dissolution, and photochemical experiments. IR spectra measured as a function of time, concentration, and pH (50-200 μM oxalate, pH 3-7) showed that several surface complexes are formed at different rates and in different proportions. Measured spectra could be separated into three contributions described by Gaussian line shapes, with frequencies that agreed well with the theoretical frequencies of three different surface complexes: an outer-sphere complex (OS), an inner-sphere monodentate mononuclear complex (MM), and a bidentate mononuclear complex (BM) involving one O atom from each carboxylate group. At pH 6, OS was formed at the highest rate. The contribution of BM increased with decreasing pH. In dissolution experiments, lepidocrocite was dissolved at rates proportional to the surface concentration of BM, rather than to the total adsorbed concentration. Under UV-light (365 nm), BM was photolyzed at a higher rate than MM and OS. Although the comparison of measured spectra with calculated frequencies cannot exclude additional possible structures, the combined results allowed the assignment of three main structures with different reactivities consistent with experiments. The results illustrate the importance of the surface speciation of adsorbed ligands in dissolution and photochemical reactions.

  11. Operable Unit 3-13, Group 3, Other Surface Soils (Phase II) Field Sampling Plan

    Energy Technology Data Exchange (ETDEWEB)

    G. L. Schwendiman

    2006-07-27

    This Field Sampling Plan describes the Operable Unit 3-13, Group 3, Other Surface Soils, Phase II remediation field sampling activities to be performed at the Idaho Nuclear Technology and Engineering Center located within the Idaho National Laboratory Site. Sampling activities described in this plan support characterization sampling of new sites, real-time soil spectroscopy during excavation, and confirmation sampling that verifies that the remedial action objectives and remediation goals presented in the Final Record of Decision for Idaho Nuclear Technology and Engineering Center, Operable Unit 3-13 have been met.

  12. Spectroscopic evidence for ternary surface complexes in the lead(II)-malonic acid-hematite system

    Science.gov (United States)

    Lenhart, J.J.; Bargar, J.R.; Davis, J.A.

    2001-01-01

    Using extended X-ray absorption fine structure (EXAFS) and attenuated total reflectance Fourier-transform infrared (ATR-FTIR) measurements, we examined the sorption of Pb(II) to hematite in the presence of malonic acid. Pb LIII-edge EXAFS measurements performed in the presence of malonate indicate the presence of both Fe and C neighbors, suggesting that a major fraction of surface-bound malonate is bonded to adsorbed Pb(II). In the absence of Pb(II), ATR-FTIR measurements of sorbed malonate suggest the formation of more than one malonate surface complex. The dissimilarity of the IR spectrum of malonate sorbed on hematite to those for aqueous malonate suggest at least one of the sorbed malonate species is directly coordinated to surface Fe atoms in an inner-sphere mode. In the presence of Pb, little change is seen in the IR spectrum for sorbed malonate, indicating that geometry of malonate as it coordinates to sorbed Pb(II) adions is similar to the geometry of malonate as it coordinates to Fe in the hematite surface. Fits of the raw EXAFS spectra collected from pH 4 to pH 8 result in average Pb-C distances of 2.98 to 3.14 A??, suggesting the presence of both four- and six-membered Pb-malonate rings. The IR results are consistent with this interpretation. Thus, our results suggest that malonate binds to sorbed Pb(II) adions, forming ternary metal-bridging surface complexes. ?? 2001 Academic Press.

  13. Complexation of lysozyme with adsorbed PtBS-b-SCPI block polyelectrolyte micelles on silver surface.

    Science.gov (United States)

    Papagiannopoulos, Aristeidis; Christoulaki, Anastasia; Spiliopoulos, Nikolaos; Vradis, Alexandros; Toprakcioglu, Chris; Pispas, Stergios

    2015-01-20

    We present a study of the interaction of the positively charged model protein lysozyme with the negatively charged amphiphilic diblock polyelectrolyte micelles of poly(tert-butylstyrene-b-sodium (sulfamate/carboxylate)isoprene) (PtBS-b-SCPI) on the silver/water interface. The adsorption kinetics are monitored by surface plasmon resonance, and the surface morphology is probed by atomic force microscopy. The micellar adsorption is described by stretched-exponential kinetics, and the micellar layer morphology shows that the micelles do not lose their integrity upon adsorption. The complexation of lysozyme with the adsorbed micellar layers depends on the micelles arrangement and density in the underlying layer, and lysozyme follows the local morphology of the underlying roughness. When the micellar adsorbed amount is small, the layers show low capacity in protein complexation and low resistance in loading. When the micellar adsorbed amount is high, the situation is reversed. The adsorbed layers both with or without added protein are found to be irreversibly adsorbed on the Ag surface.

  14. The surface chemistry of divalent metal carbonate minerals; a critical assessment of surface charge and potential data using the charge distribution multi-site ion complexation model

    NARCIS (Netherlands)

    Wolthers, M.; Charlet, L.; Van Cappellen, P.

    2008-01-01

    The Charge Distribution MUltiSite Ion Complexation or CD–MUSIC modeling approach is used to describe the chemical structure of carbonate mineralaqueous solution interfaces. The new model extends existing surface complexation models of carbonate minerals, by including atomic scale information on

  15. Benthic foraminiferal census data from Mobile Bay, Alabama--counts of surface samples and box cores

    Science.gov (United States)

    Richwine, Kathryn A.; Osterman, Lisa E.

    2012-01-01

    A study was undertaken in order to understand recent environmental change in Mobile Bay, Alabama. For this study a series of surface sediment and box core samples was collected. The surface benthic foraminiferal data provide the modern baseline conditions of the bay and can be used as a reference for changing paleoenvironmental parameters recorded in the box cores. The 14 sampling locations were chosen in the bay to cover the wide diversity of fluvial and marine-influenced environments on both sides of the shipping channel.

  16. Adaptive Surface Modeling of Soil Properties in Complex Landforms

    Directory of Open Access Journals (Sweden)

    Wei Liu

    2017-06-01

    Full Text Available Abstract: Spatial discontinuity often causes poor accuracy when a single model is used for the surface modeling of soil properties in complex geomorphic areas. Here we present a method for adaptive surface modeling of combined secondary variables to improve prediction accuracy during the interpolation of soil properties (ASM-SP. Using various secondary variables and multiple base interpolation models, ASM-SP was used to interpolate soil K+ in a typical complex geomorphic area (Qinghai Lake Basin, China. Five methods, including inverse distance weighting (IDW, ordinary kriging (OK, and OK combined with different secondary variables (e.g., OK-Landuse, OK-Geology, and OK-Soil, were used to validate the proposed method. The mean error (ME, mean absolute error (MAE, root mean square error (RMSE, mean relative error (MRE, and accuracy (AC were used as evaluation indicators. Results showed that: (1 The OK interpolation result is spatially smooth and has a weak bull's-eye effect, and the IDW has a stronger ‘bull’s-eye’ effect, relatively. They both have obvious deficiencies in depicting spatial variability of soil K+. (2 The methods incorporating combinations of different secondary variables (e.g., ASM-SP, OK-Landuse, OK-Geology, and OK-Soil were associated with lower estimation bias. Compared with IDW, OK, OK-Landuse, OK-Geology, and OK-Soil, the accuracy of ASM-SP increased by 13.63%, 10.85%, 9.98%, 8.32%, and 7.66%, respectively. Furthermore, ASM-SP was more stable, with lower MEs, MAEs, RMSEs, and MREs. (3 ASM-SP presents more details than others in the abrupt boundary, which can render the result consistent with the true secondary variables. In conclusion, ASM-SP can not only consider the nonlinear relationship between secondary variables and soil properties, but can also adaptively combine the advantages of multiple models, which contributes to making the spatial interpolation of soil K+ more reasonable.

  17. A Transmission Electron Microscope Investigation of Space Weathering Effects in Hayabusa Samples

    Science.gov (United States)

    Keller, Lindsay P.; Berger, Eve L.

    2014-01-01

    The Hayabusa mission to asteroid 25143 Itokawa successfully returned the first direct samples of the regolith from the surface of an asteroid. The Hayabusa samples thus present a special opportunity to directly investigate the evolution of asteroidal surfaces, from the development of the regolith to the study of the more complex effects of space weathering. Here we describe the mineralogy, microstructure and composition of three Hayabusa mission particles using transmission electron microscope (TEM) techniques

  18. Copper complexation capacity in surface waters of the Venice Lagoon.

    Science.gov (United States)

    Delgadillo-Hinojosa, Francisco; Zirino, Alberto; Nasci, Cristina

    2008-10-01

    Total copper (Cu(T)), copper ion activity (pCu) and the copper complexation capacity (CuCC) were determined in samples of seawater collected in July 2003 from the Venice Lagoon. Cu(T) and CuCC showed considerable spatial variability: Cu(T) ranged from 1.8 to 70.0nM, whereas the CuCC varied from 195 to 573nM. pCu values varied from 11.6 to 12.6 and are consistent with those previously reported in estuarine and coastal areas (10.9-14.1). The range of Cu(T) values compares well with those reported in the past in the lagoon and in the adjacent Adriatic Sea. The highest concentrations of Cu(T) were found in samples collected near the industrial area of Porto Marghera, whereas the lowest were measured near the Chioggia and Malamocco inlets, where an intense tidally-driven renewal of seawater takes place. Although CuCC showed a high degree of spatial variability, the values recorded in the Venice Lagoon are comparable to those reported in other estuarine systems. In addition, CuCC was positively correlated with dissolved organic carbon (DOC), suggesting that organic ligands responsible for Cu complexation are part of the bulk organic matter pool in the lagoon. The CuCC:Cu(T) molar ratio was, on average 55:1, indicating that a large excess of complexation capacity exists in the Venice Lagoon. The high levels of CuCC and the narrow range of pCu indicates the importance of the role played by organic ligands in controlling the free ion Cu concentrations in the lagoon, and as a consequence, regulating its availability and/or toxicity.

  19. Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption

    Directory of Open Access Journals (Sweden)

    Giuliano Marchi

    2015-10-01

    Full Text Available ABSTRACT Intrinsic equilibrium constants for 22 representative Brazilian Oxisols were estimated from a cadmium adsorption experiment. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. Intrinsic equilibrium constants were optimized by FITEQL and by hand calculation using Visual MINTEQ in sweep mode, and Excel spreadsheets. Data from both models were incorporated into Visual MINTEQ. Constants estimated by FITEQL and incorporated in Visual MINTEQ software failed to predict observed data accurately. However, FITEQL raw output data rendered good results when predicted values were directly compared with observed values, instead of incorporating the estimated constants into Visual MINTEQ. Intrinsic equilibrium constants optimized by hand calculation and incorporated in Visual MINTEQ reliably predicted Cd adsorption reactions on soil surfaces under changing environmental conditions.

  20. Engineering yeast consortia for surface-display of complex cellulosome structures

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wilfred [University of Delaware

    2014-03-31

    As our society marches toward a more technologically advanced future, energy and environmental sustainability are some of the most challenging problems we face today. Biomass is one of the most abundant renewable-feedstock for sustainable production of biofuels. However, the main technological obstacle to more widespread uses of this resource is the lack of low-cost technologies to overcome the recalcitrant nature of the cellulosic structure, especially the hydrolysis step on highly ordered celluloses. In this proposal, we successfully engineered several efficient and inexpensive whole-cell biocatalysts in an effort to produce economically compatible and sustainable biofuels, namely cellulosic ethanol. Our approach was to display of a highly efficient cellulolytic enzyme complex, named cellulosome, on the surface of a historical ethanol producer Saccharomyces cerevisiae for the simultaneous and synergistic saccharification and fermentation of cellulose to ethanol. We first demonstrated the feasibility of assembling a mini-cellulosome by incubating E. coli lysates expressing three different cellulases. Resting cells displaying mini-cellulosomes produced 4-fold more ethanol from phosphoric acid-swollen cellulose (PASC) than cultures with only added enzymes. The flexibility to assemble the mini-cellulosome structure was further demonstrated using a synthetic yeast consortium through intracellular complementation. Direct ethanol production from PASC was demonstrated with resting cell cultures. To create a microorganism suitable for a more cost-effective process, called consolidated bioprocessing (CBP), a synthetic consortium capable of displaying mini-cellulosomes on the cell surface via intercellular complementation was created. To further improve the efficiency, a new adaptive strategy of employing anchoring and adaptor scaffoldins to amplify the number of enzymatic subunits was developed, resulting in the creation of an artificial tetravalent cellulosome on the

  1. Riemann surfaces of complex classical trajectories and tunnelling splitting in one-dimensional systems

    Science.gov (United States)

    Harada, Hiromitsu; Mouchet, Amaury; Shudo, Akira

    2017-10-01

    The topology of complex classical paths is investigated to discuss quantum tunnelling splittings in one-dimensional systems. Here the Hamiltonian is assumed to be given as polynomial functions, so the fundamental group for the Riemann surface provides complete information on the topology of complex paths, which allows us to enumerate all the possible candidates contributing to the semiclassical sum formula for tunnelling splittings. This naturally leads to action relations among classically disjoined regions, revealing entirely non-local nature in the quantization condition. The importance of the proper treatment of Stokes phenomena is also discussed in Hamiltonians in the normal form.

  2. Final Technical Report: Metal—Organic Surface Catalyst for Low-temperature Methane Oxidation: Bi-functional Union of Metal—Organic Complex and Chemically Complementary Surface

    Energy Technology Data Exchange (ETDEWEB)

    Tait, Steven L. [Indiana Univ., Bloomington, IN (United States)

    2016-10-01

    Stabilization and chemical control of transition metal centers is a critical problem in the advancement of heterogeneous catalysts to next-generation catalysts that exhibit high levels of selectivity, while maintaining strong activity and facile catalyst recycling. Supported metal nanoparticle catalysts typically suffer from having a wide range of metal sites with different coordination numbers and varying chemistry. This project is exploring new possibilities in catalysis by combining features of homogeneous catalysts with those of heterogeneous catalysts to develop new, bi-functional systems. The systems are more complex than traditional heterogeneous catalysts in that they utilize sequential active sites to accomplish the desired overall reaction. The interaction of metal—organic catalysts with surface supports and their interactions with reactants to enable the catalysis of critical reactions at lower temperatures are at the focus of this study. Our work targets key fundamental chemistry problems. How do the metal—organic complexes interact with the surface? Can those metal center sites be tuned for selectivity and activity as they are in the homogeneous system by ligand design? What steps are necessary to enable a cooperative chemistry to occur and open opportunities for bi-functional catalyst systems? Study of these systems will develop the concept of bringing together the advantages of heterogeneous catalysis with those of homogeneous catalysis, and take this a step further by pursuing the objective of a bi-functional system. The use of metal-organic complexes in surface catalysts is therefore of interest to create well-defined and highly regular single-site centers. While these are not likely to be stable in the high temperature environments (> 300 °C) typical of industrial heterogeneous catalysts, they could be applied in moderate temperature reactions (100-300 °C), made feasible by lowering reaction temperatures by better catalyst control. They also

  3. Data Validation Package October 2015 Groundwater and Surface Water Sampling at the Monticello, Utah, Processing Site January 2016

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Jason [U.S. Dept. of Energy, Washington, DC (United States). Office of Legacy Management; Smith, Fred [Navarro Research and Engineering, Inc., Oak Ridge, TN (United States)

    2016-01-21

    Sampling Period: October 12–14, 2015. This semiannual event includes sampling groundwater and surface water at the Monticello Mill Tailings Site. Sampling and analyses were conducted as specified in the 2004 Monticello Mill Tailings Site Operable Unit III Post-Record of Decision Monitoring Plan, Draft Final and Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). Samples were collected from 52 of 61 planned locations (15 of 17 former mill site wells, 17 of 18 downgradient wells, 9 of 9 downgradient permeable reactive barrier wells, 2 of 7 seeps and wetlands, and 9 of 10 surface water locations). Locations MW00-07, Seep 1, Seep 2, Seep 3, Seep 5, Seep 6, SW00-01, T01-13, and T01-19 were not sampled because of insufficient water availability. All samples were filtered as specified in the monitoring plan. Duplicate samples were collected from surface water location W3-04 and from monitoring wells 82-08, 92-09, and 92-10. Water levels were measured at all but one sampled well and an additional set of wells. The contaminants of concern (COCs) for the Monticello Mill Tailings Site are arsenic, manganese, molybdenum, nitrate + nitrite as nitrogen (nitrate + nitrite as N), selenium, uranium, and vanadium. Time-concentration graphs of the COCs for all groundwater and surface water locations are included in this report. Locations with COCs that exceeded remediation goals are listed.

  4. Noncontact Surface Roughness Estimation Using 2D Complex Wavelet Enhanced ResNet for Intelligent Evaluation of Milled Metal Surface Quality

    Directory of Open Access Journals (Sweden)

    Weifang Sun

    2018-03-01

    Full Text Available Machined surfaces are rough from a microscopic perspective no matter how finely they are finished. Surface roughness is an important factor to consider during production quality control. Using modern techniques, surface roughness measurements are beneficial for improving machining quality. With optical imaging of machined surfaces as input, a convolutional neural network (CNN can be utilized as an effective way to characterize hierarchical features without prior knowledge. In this paper, a novel method based on CNN is proposed for making intelligent surface roughness identifications. The technical scheme incorporates there elements: texture skew correction, image filtering, and intelligent neural network learning. Firstly, a texture skew correction algorithm, based on an improved Sobel operator and Hough transform, is applied such that surface texture directions can be adjusted. Secondly, two-dimensional (2D dual tree complex wavelet transform (DTCWT is employed to retrieve surface topology information, which is more effective for feature classifications. In addition, residual network (ResNet is utilized to ensure automatic recognition of the filtered texture features. The proposed method has verified its feasibility as well as its effectiveness in actual surface roughness estimation experiments using the material of spheroidal graphite cast iron 500-7 in an agricultural machinery manufacturing company. Testing results demonstrate the proposed method has achieved high-precision surface roughness estimation.

  5. X-ray fluorescence microscopy artefacts in elemental maps of topologically complex samples: Analytical observations, simulation and a map correction method

    Science.gov (United States)

    Billè, Fulvio; Kourousias, George; Luchinat, Enrico; Kiskinova, Maya; Gianoncelli, Alessandra

    2016-08-01

    XRF spectroscopy is among the most widely used non-destructive techniques for elemental analysis. Despite the known angular dependence of X-ray fluorescence (XRF), topological artefacts remain an unresolved issue when using X-ray micro- or nano-probes. In this work we investigate the origin of the artefacts in XRF imaging of topologically complex samples, which are unresolved problems in studies of organic matter due to the limited travel distances of low energy XRF emission from the light elements. In particular we mapped Human Embryonic Kidney (HEK293T) cells. The exemplary results with biological samples, obtained with a soft X-ray scanning microscope installed at a synchrotron facility were used for testing a mathematical model based on detector response simulations, and for proposing an artefact correction method based on directional derivatives. Despite the peculiar and specific application, the methodology can be easily extended to hard X-rays and to set-ups with multi-array detector systems when the dimensions of surface reliefs are in the order of the probing beam size.

  6. Incorporating classic adsorption isotherms into modern surface complexation models: implications for sorption of radionuclides

    International Nuclear Information System (INIS)

    Kulik, D.A.

    2005-01-01

    Full text of publication follows: Computer-aided surface complexation models (SCM) tend to replace the classic adsorption isotherm (AI) analysis in describing mineral-water interface reactions such as radionuclide sorption onto (hydr) oxides and clays. Any site-binding SCM based on the mole balance of surface sites, in fact, reproduces the (competitive) Langmuir isotherm, optionally amended with electrostatic Coulomb's non-ideal term. In most SCM implementations, it is difficult to incorporate real-surface phenomena (site heterogeneity, lateral interactions, surface condensation) described in classic AI approaches other than Langmuir's. Thermodynamic relations between SCMs and AIs that remained obscure in the past have been recently clarified using new definitions of standard and reference states of surface species [1,2]. On this basis, a method for separating the Langmuir AI into ideal (linear) and non-ideal parts [2] was applied to multi-dentate Langmuir, Frumkin, and BET isotherms. The aim of this work was to obtain the surface activity coefficient terms that make the SCM site mole balance constraints obsolete and, in this way, extend thermodynamic SCMs to cover sorption phenomena described by the respective AIs. The multi-dentate Langmuir term accounts for the site saturation with n-dentate surface species, as illustrated on modeling bi-dentate U VI complexes on goethite or SiO 2 surfaces. The Frumkin term corrects for the lateral interactions of the mono-dentate surface species; in particular, it has the same form as the Coulombic term of the constant-capacitance EDL combined with the Langmuir term. The BET term (three parameters) accounts for more than a monolayer adsorption up to the surface condensation; it can potentially describe the surface precipitation of nickel and other cations on hydroxides and clay minerals. All three non-ideal terms (in GEM SCMs implementation [1,2]) by now are used for non-competing surface species only. Upon 'surface dilution

  7. Improving off-line accelerated tryptic digestion. Towards fast-lane proteolysis of complex biological samples.

    Science.gov (United States)

    Vukovic, Jadranka; Loftheim, Håvard; Winther, Bjørn; Reubsaet, J Léon E

    2008-06-27

    Off-line digestion of proteins using immobilized trypsin beads is studied with respect to the format of the digestion reactor, the digestion conditions, the comparison with in-solution digestion and its use in complex biological samples. The use of the filter vial as the most appropriate digestion reactor enables simple, efficient and easy-to-handle off-line digestion of the proteins on trypsin beads. It was shown that complex proteins like bovine serum albumin (BSA) need much longer time (89 min) and elevated temperature (37 degrees C) to be digested to an acceptable level compared to smaller proteins like cytochrome c (5 min, room temperature). Comparing the BSA digestion using immobilized trypsin beads with conventional in-solution digestion (overnight at 37 degrees C), it was shown that comparable results were obtained with respect to sequence coverage (>90%) and amount of missed cleavages (in both cases around 20 peptides with 1 or 2 missed cleavages were detected). However, the digestion using immobilized trypsin beads was considerable less time consuming. Good reproducibility and signal intensities were obtained for the digestion products of BSA in a complex urine sample. In addition to this, peptide products of proteins typically present in urine were identified.

  8. Computational Complexity of Combinatorial Surfaces

    NARCIS (Netherlands)

    Vegter, Gert; Yap, Chee K.

    1990-01-01

    We investigate the computational problems associated with combinatorial surfaces. Specifically, we present an algorithm (based on the Brahana-Dehn-Heegaard approach) for transforming the polygonal schema of a closed triangulated surface into its canonical form in O(n log n) time, where n is the

  9. Semi-automatic surface sediment sampling system - A prototype to be implemented in bivalve fishing surveys

    Science.gov (United States)

    Rufino, Marta M.; Baptista, Paulo; Pereira, Fábio; Gaspar, Miguel B.

    2018-01-01

    In the current work we propose a new method to sample surface sediment during bivalve fishing surveys. Fishing institutes all around the word carry out regular surveys with the aim of monitoring the stocks of commercial species. These surveys comprise often more than one hundred of sampling stations and cover large geographical areas. Although superficial sediment grain sizes are among the main drivers of benthic communities and provide crucial information for studies on coastal dynamics, overall there is a strong lack of this type of data, possibly, because traditional surface sediment sampling methods use grabs, that require considerable time and effort to be carried out on regular basis or on large areas. In face of these aspects, we developed an easy and un-expensive method to sample superficial sediments, during bivalve fisheries monitoring surveys, without increasing survey time or human resources. The method was successfully evaluated and validated during a typical bivalve survey carried out on the Northwest coast of Portugal, confirming that it had any interference with the survey objectives. Furthermore, the method was validated by collecting samples using a traditional Van Veen grabs (traditional method), which showed a similar grain size composition to the ones collected by the new method, on the same localities. We recommend that the procedure is implemented on regular bivalve fishing surveys, together with an image analysis system to analyse the collected samples. The new method will provide substantial quantity of data on surface sediment in coastal areas, using a non-expensive and efficient manner, with a high potential application in different fields of research.

  10. Covalent attachment of pyridine-type molecules to glassy carbon surfaces by electrochemical reduction of in situ generated diazonium salts. Formation of ruthenium complexes on ligand-modified surfaces

    International Nuclear Information System (INIS)

    Yesildag, Ali; Ekinci, Duygu

    2010-01-01

    In this study, pyridine, quinoline and phenanthroline molecules were covalently bonded to glassy carbon (GC) electrode surfaces for the first time using the diazonium modification method. Then, the complexation ability of the modified films with ruthenium metal cations was investigated. The derivatization of GC surfaces with heteroaromatic molecules was achieved by electrochemical reduction of the corresponding in situ generated diazonium salts. X-ray photoelectron spectroscopy (XPS) was used to confirm the attachment of heteroaromatic molecules to the GC surfaces and to determine the surface concentration of the films. The barrier properties of the modified GC electrodes were studied in the presence of redox probes such as Fe(CN) 6 3- and Ru(NH 3 ) 6 3+ by cyclic voltammetry. Additionally, the presence of the resulting organometallic films on the surfaces was verified by XPS after the chemical transformation of the characterized ligand films to the ruthenium complex films. The electrochemical behavior of these films in acetonitrile solution was investigated using voltammetric methods, and the surface coverage of the organometallic films was determined from the reversible metal-based Ru(II)/Ru(III) oxidation waves.

  11. May 2011 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    International Nuclear Information System (INIS)

    2011-01-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 16-17, 2011, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location Johnson Artesian WL. Samples were analyzed by the U.S. Environmental Protection Agency (EPA) Radiation&Indoor Environments National Laboratory in Las Vegas, Nevada. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry, and for tritium using the conventional method. Tritium was not measured using the enrichment method because the EPA laboratory no longer offers that service. Results of this monitoring at the Rio Blanco site demonstrate that groundwater and surface water outside the boundaries have not been affected by project-related contaminants.

  12. Structure and reactivity of heterogeneous surfaces and study of the geometry of surface complexes. Progress report, January 1, 1984-December 31, 1984

    International Nuclear Information System (INIS)

    Landman, U.

    1984-01-01

    Since the beginning of this project, our group has been involved in theoretical studies of surface phenomena and processes, aimed toward increasing our understanding of fundamental processes which govern the properties of material surfaces. Our studies cover a wide spectrum of surface phenomena: surface reactivity, surface crystallography, electronic and vibrational structure, dynamical processes, phase transformations and phase change, the properties of interfaces and investigations of material processing and novel materials preparation techniques. In these investigations we develop and employ analytical and novel numerical, simulation, methods for the study of complex surface phenomena. Our recent surface molecular dynamics studies and simulations of laser annealing phenomena opened new avenues for the investigation of the microscopic dynamics and evolution of equilibrium and non-equilibrium processes at surfaces and interfaces. Our current studies of metallic glasses using a new langrangian formulation which includes all components of the total energy (density dependent electron gas, single particle and pair interactions) of the system, represents a novel approach for theoretical studies of this important class of systems

  13. Hydrous ferric oxide: evaluation of Cd-HFO surface complexation models combining Cd(K) EXAFS data, potentiometric titration results, and surface site structures identified from mineralogical knowledge.

    Science.gov (United States)

    Spadini, Lorenzo; Schindler, Paul W; Charlet, Laurent; Manceau, Alain; Vala Ragnarsdottir, K

    2003-10-01

    The surface properties of ferrihydrite were studied by combining wet chemical data, Cd(K) EXAFS data, and a surface structure and protonation model of the ferrihydrite surface. Acid-base titration experiments and Cd(II)-ferrihydrite sorption experiments were performed within 3titration data could be adequately modeled by triple bond Fe- OH(2)(+1/2)-H(+)triple bond Fe-OH(-1/2),logk((int))=-8.29, assuming the existence of a unique intrinsic microscopic constant, logk((int)), and consequently the existence of a single significant type of acid-base reactive functional groups. The surface structure model indicates that these groups are terminal water groups. The Cd(II) data were modeled assuming the existence of a single reactive site. The model fits the data set at low Cd(II) concentration and up to 50% surface coverage. At high coverage more Cd(II) ions than predicted are adsorbed, which is indicative of the existence of a second type of site of lower affinity. This agrees with the surface structure and protonation model developed, which indicates comparable concentrations of high- and low-affinity sites. The model further shows that for each class of low- and high-affinity sites there exists a variety of corresponding Cd surface complex structure, depending on the model crystal faces on which the complexes develop. Generally, high-affinity surface structures have surface coordinations of 3 and 4, as compared to 1 and 2 for low-affinity surface structures.

  14. Design Process Control for Improved Surface Finish of Metal Additive Manufactured Parts of Complex Build Geometry

    Directory of Open Access Journals (Sweden)

    Mikdam Jamal

    2017-12-01

    Full Text Available Metal additive manufacturing (AM is increasingly used to create complex 3D components at near net shape. However, the surface finish (SF of the metal AM part is uneven, with surface roughness being variable over the facets of the design. Standard post-processing methods such as grinding and linishing often meet with major challenges in finishing parts of complex shape. This paper reports on research that demonstrated that mass finishing (MF processes are able to deliver high-quality surface finishes (Ra and Sa on AM-generated parts of a relatively complex geometry (both internal features and external facets under select conditions. Four processes were studied in this work: stream finishing, high-energy (HE centrifuge, drag finishing and disc finishing. Optimisation of the drag finishing process was then studied using a structured design of experiments (DOE. The effects of a range of finishing parameters were evaluated and optimal parameters and conditions were determined. The study established that the proposed method can be successfully applied in drag finishing to optimise the surface roughness in an industrial application and that it is an economical way of obtaining the maximum amount of information in a short period of time with a small number of tests. The study has also provided an important step in helping understand the requirements of MF to deliver AM-generated parts to a target quality finish and cycle time.

  15. Micromechanical Characterization of Complex Polypropylene Morphologies by HarmoniX AFM

    Directory of Open Access Journals (Sweden)

    S. Liparoti

    2017-01-01

    Full Text Available This paper examines the capability of the HarmoniX Atomic Force Microscopy (AFM technique to draw accurate and reliable micromechanical characterization of complex polymer morphologies generally found in conventional thermoplastic polymers. To that purpose, injection molded polypropylene samples, containing representative morphologies, have been characterized by HarmoniX AFM. Mapping and distributions of mechanical properties of the samples surface are determined and analyzed. Effects of sample preparation and test conditions are also analyzed. Finally, the AFM determination of surface elastic moduli has been compared with that obtained by indentation tests, finding good agreement among the results.

  16. Microbiology of the surface water samples in the high background radiation areas of Ramsar, Iran

    International Nuclear Information System (INIS)

    Motamedifar, Mohammad; Zamani, Khosrow; Sedigh, Hadi; Mortazavi, Seyed Mohammad Javad; Taeb, Shahram; Haghani, M.; Mortazavi, Seyed Ali Reza; Soofi, Amir

    2014-01-01

    Residents of high background radiation areas of Ramsar have lived in these areas for many generations and received radiation doses much higher than the dose limit recommended by ICRP for radiation workers. The radioactivity of the high background radiation areas of Ramsar is reported to be due to 226 Ra and its decay products, which have been brought to the surface by the waters of hot springs. Over the past years the department has focused on different aspects of the health effects of the elevated levels of natural radiation in Ramsar. This study was aimed to perform a preliminary investigation on the bioeffects of exposure to elevated levels of natural radiation on the microbiology of surface water samples. Water samples were collected from surface water streams in Talesh Mahalleh district, Ramsar as well as a nearby area with normal levels of background radiation. Only two strains of bacteria, that is, Providencia stuartii and Shimwellia blattae, could be isolated from the water samples collected from high background radiation areas, while seven strains (Escherichia coli, Enterobacter asburiae, Klebsiella pneumoniae, Shigella dysenteriae, Buttiauxella agerstis, Tatumella punctuata and Raoultella ornithinolytica) were isolated from the water samples collected from normal background radiation areas. All the bacteria isolated from water samples of high and normal background radiation areas were sensitive to ultraviolet radiation, heat, betadine, alcohol, and deconex. Although other investigators have reported that bacteria isolated from hot springs show radioresistance, the results reported here do not reveal any adaptive response. (author)

  17. inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model

    Energy Technology Data Exchange (ETDEWEB)

    Ridley, Mora K. [Texas Tech University, Lubbock; Hiemstra, T [Oak Ridge National Laboratory (ORNL); Van Riemsdijk, Willem H. [Wageningen University and Research Centre, The Netherlands; Machesky, Michael L. [Illinois State Water Survey, Champaign, IL

    2009-01-01

    Acid base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multicomponent mineral aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488 508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca2+ and Sr2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 110 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Pr edota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Be ne zeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile water interface: linking molecular and macroscopic

  18. Inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model

    Science.gov (United States)

    Ridley, Moira K.; Hiemstra, Tjisse; van Riemsdijk, Willem H.; Machesky, Michael L.

    2009-04-01

    Acid-base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multi-component mineral-aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488-508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca 2+ and Sr 2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 1 1 0 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Předota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Bénézeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile-water interface: linking molecular and macroscopic

  19. Quantitative portable gamma-spectroscopy sample analysis for non-standard sample geometries

    International Nuclear Information System (INIS)

    Ebara, S.B.

    1998-01-01

    Utilizing a portable spectroscopy system, a quantitative method for analysis of samples containing a mixture of fission and activation products in nonstandard geometries was developed. This method was not developed to replace other methods such as Monte Carlo or Discrete Ordinates but rather to offer an alternative rapid solution. The method can be used with various sample and shielding configurations where analysis on a laboratory based gamma-spectroscopy system is impractical. The portable gamma-spectroscopy method involves calibration of the detector and modeling of the sample and shielding to identify and quantify the radionuclides present in the sample. The method utilizes the intrinsic efficiency of the detector and the unattenuated gamma fluence rate at the detector surface per unit activity from the sample to calculate the nuclide activity and Minimum Detectable Activity (MDA). For a complex geometry, a computer code written for shielding applications (MICROSHIELD) is utilized to determine the unattenuated gamma fluence rate per unit activity at the detector surface. Lastly, the method is only applicable to nuclides which emit gamma-rays and cannot be used for pure beta or alpha emitters. In addition, if sample self absorption and shielding is significant, the attenuation will result in high MDA's for nuclides which solely emit low energy gamma-rays. The following presents the analysis technique and presents verification results using actual experimental data, rather than comparisons to other approximations such as Monte Carlo techniques, to demonstrate the accuracy of the method given a known geometry and source term. (author)

  20. Calibration of Ge gamma-ray spectrometers for complex sample geometries and matrices

    Energy Technology Data Exchange (ETDEWEB)

    Semkow, T.M., E-mail: thomas.semkow@health.ny.gov [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Department of Environmental Health Sciences, School of Public Health, University at Albany, State University of New York, Rensselaer, NY 12144 (United States); Bradt, C.J.; Beach, S.E.; Haines, D.K.; Khan, A.J.; Bari, A.; Torres, M.A.; Marrantino, J.C.; Syed, U.-F. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Kitto, M.E. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Department of Environmental Health Sciences, School of Public Health, University at Albany, State University of New York, Rensselaer, NY 12144 (United States); Hoffman, T.J. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Curtis, P. [Kiltel Systems, Inc., Clyde Hill, WA 98004 (United States)

    2015-11-01

    A comprehensive study of the efficiency calibration and calibration verification of Ge gamma-ray spectrometers was performed using semi-empirical, computational Monte-Carlo (MC), and transfer methods. The aim of this study was to evaluate the accuracy of the quantification of gamma-emitting radionuclides in complex matrices normally encountered in environmental and food samples. A wide range of gamma energies from 59.5 to 1836.0 keV and geometries from a 10-mL jar to 1.4-L Marinelli beaker were studied on four Ge spectrometers with the relative efficiencies between 102% and 140%. Density and coincidence summing corrections were applied. Innovative techniques were developed for the preparation of artificial complex matrices from materials such as acidified water, polystyrene, ethanol, sugar, and sand, resulting in the densities ranging from 0.3655 to 2.164 g cm{sup −3}. They were spiked with gamma activity traceable to international standards and used for calibration verifications. A quantitative method of tuning MC calculations to experiment was developed based on a multidimensional chi-square paraboloid. - Highlights: • Preparation and spiking of traceable complex matrices in extended geometries. • Calibration of Ge gamma spectrometers for complex matrices. • Verification of gamma calibrations. • Comparison of semi-empirical, computational Monte Carlo, and transfer methods of Ge calibration. • Tuning of Monte Carlo calculations using a multidimensional paraboloid.

  1. Calibration of Ge gamma-ray spectrometers for complex sample geometries and matrices

    International Nuclear Information System (INIS)

    Semkow, T.M.; Bradt, C.J.; Beach, S.E.; Haines, D.K.; Khan, A.J.; Bari, A.; Torres, M.A.; Marrantino, J.C.; Syed, U.-F.; Kitto, M.E.; Hoffman, T.J.; Curtis, P.

    2015-01-01

    A comprehensive study of the efficiency calibration and calibration verification of Ge gamma-ray spectrometers was performed using semi-empirical, computational Monte-Carlo (MC), and transfer methods. The aim of this study was to evaluate the accuracy of the quantification of gamma-emitting radionuclides in complex matrices normally encountered in environmental and food samples. A wide range of gamma energies from 59.5 to 1836.0 keV and geometries from a 10-mL jar to 1.4-L Marinelli beaker were studied on four Ge spectrometers with the relative efficiencies between 102% and 140%. Density and coincidence summing corrections were applied. Innovative techniques were developed for the preparation of artificial complex matrices from materials such as acidified water, polystyrene, ethanol, sugar, and sand, resulting in the densities ranging from 0.3655 to 2.164 g cm −3 . They were spiked with gamma activity traceable to international standards and used for calibration verifications. A quantitative method of tuning MC calculations to experiment was developed based on a multidimensional chi-square paraboloid. - Highlights: • Preparation and spiking of traceable complex matrices in extended geometries. • Calibration of Ge gamma spectrometers for complex matrices. • Verification of gamma calibrations. • Comparison of semi-empirical, computational Monte Carlo, and transfer methods of Ge calibration. • Tuning of Monte Carlo calculations using a multidimensional paraboloid

  2. Sampling problems and the determination of mercury in surface water, seawater, and air

    International Nuclear Information System (INIS)

    Das, H.A.; van der Sloot, H.A.

    1976-01-01

    Analysis of surface water for mercury comprises the determination of both ionic and organically bound mercury in solution and that of the total mercury content of the suspended matter. Eventually, metallic mercury has to be determined too. Requirements for the sampling procedure are given. A method for the routine determination of mercury in surface water and seawater was developed and applied to Dutch surface waters. The total sample volume is 2500 ml. About 500 ml is used for the determination of the content of suspended matter and the total amount of mercury in the water. The sample is filtered through a bed of previously purified active charcoal at a low flow-rate. The main portion ca. 2000 ml) passes a flow-through centrifuge to separate the solid fraction. One liter is used to separate ''inorganic'' mercury by reduction, volatilization in an airstream and adsorption on active charcoal. The other liter is led through a column of active charcoal to collect all mercury. The procedures were checked with 197 Hg radiotracer both as an ion and incorporated in organic compounds. The mercury is determined by thermal neutron activation, followed by volatilization in a tube furnace and adsorption on a fresh carbon bed. The limit of determination is approximately equal to 1 ng 1 -1 . The rate of desorption from and adsorption on suspended material has been measured as a function of a pH of the solution for Hg +2 and various other ions. It can be concluded that only the procedure mentioned above does not disturb the equilibrium. The separation of mercury from air is obtained by suction of 1 m 3 through a 0.22 μm filter and a charcoal bed. The determination is then performed as in the case of the water samples

  3. Stability of nano-metric colloidal dispersions of titanium: effect of surface complexation

    International Nuclear Information System (INIS)

    Peyre, Veronique

    1996-01-01

    This research thesis reports the study of the adsorption of small organic molecules at the surface of nano-particles of mineral oxides (zirconia), and of its effects on the stability of the colloidal dispersion. Adsorption has been quantified by adsorption isotherms and surface titrations. Processes and mechanisms are thus discussed with respect to pH. The influence of various protecting molecules (acetyl acetone, but also acetic acid, citric acid and diethanolamine) has been studied, and notably highlighted the role of the outer face of the complexing agent in the assessment of reactions between particles which govern the compression and re-dispersability properties of protected dispersions. This study is performed by osmotic pressure measurements and by X-ray diffusion at small angles, completed by statistical mechanics calculations [fr

  4. Surface characterization of silver and palladium modified glassy ...

    Indian Academy of Sciences (India)

    WINTEC

    The morphology of metal coatings was characterized by ... face of sample containing the highest quantity of surface oxide complexes. It has been concluded that ..... Environment Protection of the Republic of Serbia for financial support.

  5. Identification and assembly of genomes and genetic elements in complex metagenomic samples without using reference genomes.

    Science.gov (United States)

    Nielsen, H Bjørn; Almeida, Mathieu; Juncker, Agnieszka Sierakowska; Rasmussen, Simon; Li, Junhua; Sunagawa, Shinichi; Plichta, Damian R; Gautier, Laurent; Pedersen, Anders G; Le Chatelier, Emmanuelle; Pelletier, Eric; Bonde, Ida; Nielsen, Trine; Manichanh, Chaysavanh; Arumugam, Manimozhiyan; Batto, Jean-Michel; Quintanilha Dos Santos, Marcelo B; Blom, Nikolaj; Borruel, Natalia; Burgdorf, Kristoffer S; Boumezbeur, Fouad; Casellas, Francesc; Doré, Joël; Dworzynski, Piotr; Guarner, Francisco; Hansen, Torben; Hildebrand, Falk; Kaas, Rolf S; Kennedy, Sean; Kristiansen, Karsten; Kultima, Jens Roat; Léonard, Pierre; Levenez, Florence; Lund, Ole; Moumen, Bouziane; Le Paslier, Denis; Pons, Nicolas; Pedersen, Oluf; Prifti, Edi; Qin, Junjie; Raes, Jeroen; Sørensen, Søren; Tap, Julien; Tims, Sebastian; Ussery, David W; Yamada, Takuji; Renault, Pierre; Sicheritz-Ponten, Thomas; Bork, Peer; Wang, Jun; Brunak, Søren; Ehrlich, S Dusko

    2014-08-01

    Most current approaches for analyzing metagenomic data rely on comparisons to reference genomes, but the microbial diversity of many environments extends far beyond what is covered by reference databases. De novo segregation of complex metagenomic data into specific biological entities, such as particular bacterial strains or viruses, remains a largely unsolved problem. Here we present a method, based on binning co-abundant genes across a series of metagenomic samples, that enables comprehensive discovery of new microbial organisms, viruses and co-inherited genetic entities and aids assembly of microbial genomes without the need for reference sequences. We demonstrate the method on data from 396 human gut microbiome samples and identify 7,381 co-abundance gene groups (CAGs), including 741 metagenomic species (MGS). We use these to assemble 238 high-quality microbial genomes and identify affiliations between MGS and hundreds of viruses or genetic entities. Our method provides the means for comprehensive profiling of the diversity within complex metagenomic samples.

  6. The RSV F and G glycoproteins interact to form a complex on the surface of infected cells

    International Nuclear Information System (INIS)

    Low, Kit-Wei; Tan, Timothy; Ng, Ken; Tan, Boon-Huan; Sugrue, Richard J.

    2008-01-01

    In this study, the interaction between the respiratory syncytial virus (RSV) fusion (F) protein, attachment (G) protein, and small hydrophobic (SH) proteins was examined. Immunoprecipitation analysis suggested that the F and G proteins exist as a protein complex on the surface of RSV-infected cells, and this conclusion was supported by ultracentrifugation analysis that demonstrated co-migration of surface-expressed F and G proteins. Although our analysis provided evidence for an interaction between the G and SH proteins, no evidence was obtained for a single protein complex involving all three of the virus proteins. These data suggest the existence of multiple virus glycoprotein complexes within the RSV envelope. Although the stimulus that drives RSV-mediated membrane fusion is unknown, the association between the G and F proteins suggest an indirect role for the G protein in this process

  7. Overcoming Matrix Effects in a Complex Sample: Analysis of Multiple Elements in Multivitamins by Atomic Absorption Spectroscopy

    Science.gov (United States)

    Arnold, Randy J.; Arndt, Brett; Blaser, Emilia; Blosser, Chris; Caulton, Dana; Chung, Won Sog; Fiorenza, Garrett; Heath, Wyatt; Jacobs, Alex; Kahng, Eunice; Koh, Eun; Le, Thao; Mandla, Kyle; McCory, Chelsey; Newman, Laura; Pithadia, Amit; Reckelhoff, Anna; Rheinhardt, Joseph; Skljarevski, Sonja; Stuart, Jordyn; Taylor, Cassie; Thomas, Scott; Tse, Kyle; Wall, Rachel; Warkentien, Chad

    2011-01-01

    A multivitamin tablet and liquid are analyzed for the elements calcium, magnesium, iron, zinc, copper, and manganese using atomic absorption spectrometry. Linear calibration and standard addition are used for all elements except calcium, allowing for an estimate of the matrix effects encountered for this complex sample. Sample preparation using…

  8. Fabrication of SERS Active Surface on Polyimide Sample by Excimer Laser Irradiation

    Directory of Open Access Journals (Sweden)

    T. Csizmadia

    2014-01-01

    Full Text Available A possible application of excimer laser irradiation for the preparation of surface enhanced Raman spectroscopy (SERS substrate is demonstrated. A polyimide foil of 125 μm thickness was irradiated by 240 pulses of focused ArF excimer laser beam (λ = 193 nm, FWHM = 20 ns. The applied fluence was varied between 40 and 80 mJ/cm2. After laser processing, the sample was coated with 40 nm silver by PLD in order to create a conducting layer required for the SERS application. The SERS activity of the samples was tested by Raman microscopy. The Raman spectra of Rhodamine 6G aqueous solution (c=10−3 mol/dm3 were collected from the patterned and metalized areas. For areas prepared at 40–60 mJ/cm2 laser fluences, the measured Raman intensities have shown a linear dependence on the applied laser fluence, while above 60 mJ/cm2 saturation was observed. The morphology of the SERS active surface areas was investigated by scanning electron microscopy. Finite element modeling was performed in order to simulate the laser-absorption induced heating of the polyimide foil. The simulation resulted in the temporal and spatial distribution of the estimated temperature in the irradiated polyimide sample, which are important for understanding the structure formation process.

  9. Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge

    Energy Technology Data Exchange (ETDEWEB)

    Llave, Ezequiel de la; Herrera, Santiago E.; Adam, Catherine; Méndez De Leo, Lucila P.; Calvo, Ernesto J.; Williams, Federico J., E-mail: fwilliams@qi.fcen.uba.ar [INQUIMAE-CONICET, Departamento de Química Inorgánica, Analítica y Química-Física, Facultad Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 2, Buenos Aires C1428EHA (Argentina)

    2015-11-14

    The molecular and electronic structure of Os(II) complexes covalently bonded to self-assembled monolayers (SAMs) on Au(111) surfaces was studied by means of polarization modulation infrared reflection absorption spectroscopy, photoelectron spectroscopies, scanning tunneling microscopy, scanning tunneling spectroscopy, and density functional theory calculations. Attachment of the Os complex to the SAM proceeds via an amide covalent bond with the SAM alkyl chain 40° tilted with respect to the surface normal and a total thickness of 26 Å. The highest occupied molecular orbital of the Os complex is mainly based on the Os(II) center located 2.2 eV below the Fermi edge and the LUMO molecular orbital is mainly based on the bipyridine ligands located 1.5 eV above the Fermi edge.

  10. Surface Sampling Collection and Culture Methods for Escherichia coli in Household Environments with High Fecal Contamination.

    Science.gov (United States)

    Exum, Natalie G; Kosek, Margaret N; Davis, Meghan F; Schwab, Kellogg J

    2017-08-22

    Empiric quantification of environmental fecal contamination is an important step toward understanding the impact that water, sanitation, and hygiene interventions have on reducing enteric infections. There is a need to standardize the methods used for surface sampling in field studies that examine fecal contamination in low-income settings. The dry cloth method presented in this manuscript improves upon the more commonly used swabbing technique that has been shown in the literature to have a low sampling efficiency. The recovery efficiency of a dry electrostatic cloth sampling method was evaluated using Escherichia coli and then applied to household surfaces in Iquitos, Peru, where there is high fecal contamination and enteric infection. Side-by-side measurements were taken from various floor locations within a household at the same time over a three-month period to compare for consistency of quantification of E. coli bacteria. The dry cloth sampling method in the laboratory setting showed 105% (95% Confidence Interval: 98%, 113%) E. coli recovery efficiency off of the cloths. The field application demonstrated strong agreement of side-by-side results (Pearson correlation coefficient for dirt surfaces was 0.83 ( p samples (Pearson (0.53, p method can be utilized in households with high bacterial loads using either continuous (quantitative) or categorical (semi-quantitative) data. The standardization of this low-cost, dry electrostatic cloth sampling method can be used to measure differences between households in intervention and non-intervention arms of randomized trials.

  11. Corrosion behaviours of the dental magnetic keeper complexes made by different alloys and methods.

    Science.gov (United States)

    Wu, Min-Ke; Song, Ning; Liu, Fei; Kou, Liang; Lu, Xiao-Wen; Wang, Min; Wang, Hang; Shen, Jie-Fei

    2016-09-29

    The keeper and cast dowel-coping, as a primary component for a magnetic attachment, is easily subjected to corrosion in a wet environment, such as the oral cavity, which contains electrolyte-rich saliva, complex microflora and chewing behaviour and so on. The objective of this in vitro study was to examine the corrosion resistance of a dowel and coping-keeper complex fabricated by finish keeper and three alloys (cobalt-chromium, CoCr; silver-palladium-gold, PdAu; gold-platinum, AuPt) using a laser-welding process and a casting technique. The surface morphology characteristics and microstructures of the samples were examined by means of metallographic microscope and scanning electron microscope (SEM). Energy-dispersive spectroscopy (EDS) with SEM provided elements analysis information for the test samples after 10% oxalic acid solution etching test. Tafel polarization curve recordings demonstrated parameter values indicating corrosion of the samples when subjected to electrochemical testing. This study has suggested that massive oxides are attached to the surface of the CoCr-keeper complex but not to the AuPt-keeper complex. Only the keeper area of cast CoCr-keeper complex displayed obvious intergranular corrosion and changes in the Fe and Co elements. Both cast and laser-welded AuPt-keeper complexes had the highest free corrosion potential, followed by the PdAu-keeper complex. We concluded that although the corrosion resistance of the CoCr-keeper complex was worst, the keeper surface passive film was actually preserved to its maximum extent. The laser-welded CoCr- and PdAu-keeper complexes possessed superior corrosion resistance as compared with their cast specimens, but no significant difference was found between the cast and laser-welded AuPt-keeper complexes. The Fe-poor and Cr-rich band, appearing on the edge of the keeper when casting, has been proven to be a corrosion-prone area.

  12. Effects of Spatial Sampling Interval on Roughness Parameters and Microwave Backscatter over Agricultural Soil Surfaces

    Directory of Open Access Journals (Sweden)

    Matías Ernesto Barber

    2016-06-01

    Full Text Available The spatial sampling interval, as related to the ability to digitize a soil profile with a certain number of features per unit length, depends on the profiling technique itself. From a variety of profiling techniques, roughness parameters are estimated at different sampling intervals. Since soil profiles have continuous spectral components, it is clear that roughness parameters are influenced by the sampling interval of the measurement device employed. In this work, we contributed to answer which sampling interval the profiles needed to be measured at to accurately account for the microwave response of agricultural surfaces. For this purpose, a 2-D laser profiler was built and used to measure surface soil roughness at field scale over agricultural sites in Argentina. Sampling intervals ranged from large (50 mm to small ones (1 mm, with several intermediate values. Large- and intermediate-sampling-interval profiles were synthetically derived from nominal, 1 mm ones. With these data, the effect of sampling-interval-dependent roughness parameters on backscatter response was assessed using the theoretical backscatter model IEM2M. Simulations demonstrated that variations of roughness parameters depended on the working wavelength and was less important at L-band than at C- or X-band. In any case, an underestimation of the backscattering coefficient of about 1-4 dB was observed at larger sampling intervals. As a general rule a sampling interval of 15 mm can be recommended for L-band and 5 mm for C-band.

  13. Effects of surface roughness, texture and polymer degradation on cathodic delamination of epoxy coated steel samples

    International Nuclear Information System (INIS)

    Khun, N.W.; Frankel, G.S.

    2013-01-01

    Highlights: ► Cathodic delamination of epoxy coated steel samples was studied using SKP. ► Delamination of the coating decreased with increased substrate surface roughness. ► Delamination of the coating was faster on the substrate with parallel surface scratches. ► Delamination of the coating exposed to weathering conditions increased with prolonged exposure. - Abstract: The Scanning Kelvin Probe (SKP) technique was used to investigate the effects of surface roughness, texture and polymer degradation on cathodic delamination of epoxy coated steel. The cathodic delamination rate of the epoxy coatings dramatically decreased with increased surface roughness of the underlying steel substrate. The surface texture of the steel substrates also had a significant effect in that samples with parallel abrasion lines exhibiting faster cathodic delamination in the direction of the lines compared to the direction perpendicular to the lines. The cathodic delamination kinetics of epoxy coatings previously exposed to weathering conditions increased with prolonged exposure due to pronounced polymer degradation. SEM observation confirmed that the cyclic exposure to UV radiation and water condensation caused severe deterioration in the polymer structures with surface cracking and erosion. The SKP results clearly showed that the cathodic delamination of the epoxy coatings was significantly influenced by the surface features of the underlying steel substrates and the degradation of the coatings.

  14. Covalent attachment of pyridine-type molecules to glassy carbon surfaces by electrochemical reduction of in situ generated diazonium salts. Formation of ruthenium complexes on ligand-modified surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Yesildag, Ali [Department of Chemistry, Faculty of Sciences, Atatuerk University, 25240 Erzurum (Turkey); Ekinci, Duygu, E-mail: dekin@atauni.edu.t [Department of Chemistry, Faculty of Sciences, Atatuerk University, 25240 Erzurum (Turkey)

    2010-09-30

    In this study, pyridine, quinoline and phenanthroline molecules were covalently bonded to glassy carbon (GC) electrode surfaces for the first time using the diazonium modification method. Then, the complexation ability of the modified films with ruthenium metal cations was investigated. The derivatization of GC surfaces with heteroaromatic molecules was achieved by electrochemical reduction of the corresponding in situ generated diazonium salts. X-ray photoelectron spectroscopy (XPS) was used to confirm the attachment of heteroaromatic molecules to the GC surfaces and to determine the surface concentration of the films. The barrier properties of the modified GC electrodes were studied in the presence of redox probes such as Fe(CN){sub 6}{sup 3-} and Ru(NH{sub 3}){sub 6}{sup 3+} by cyclic voltammetry. Additionally, the presence of the resulting organometallic films on the surfaces was verified by XPS after the chemical transformation of the characterized ligand films to the ruthenium complex films. The electrochemical behavior of these films in acetonitrile solution was investigated using voltammetric methods, and the surface coverage of the organometallic films was determined from the reversible metal-based Ru(II)/Ru(III) oxidation waves.

  15. Molecular biology of the Chlamydia pneumoniae surface

    DEFF Research Database (Denmark)

    Christiansen, Gunna; Østergaard, Lars; Birkelund, Svend

    1997-01-01

    surface differs from that of Chlamydia trachomatis. In order to study the surface of C. pneumoniae we generated monoclonal antibodies (MAbs) against C. pneumoniae strain VR-1310 and selected 14 MAbs that reacted with the surface of C. pneumoniae. All MAbs reacted in immunoelectron microscopy...... with the surface of both whole C. pneumoniae VR-1310 elementary bodies and with purified sarcosyl extracted outer membrane complexes. However, only 2 of the MAbs reacted in immunoblotting with C. pneumoniae proteins and only with antigen that had not been heat treated in SDS-sample buffer. This indicates...

  16. Immobilized copper(II) macrocyclic complex on MWCNTs with antibacterial activity

    Energy Technology Data Exchange (ETDEWEB)

    Tarlani, Aliakbar, E-mail: Tarlani@ccerci.ac.ir [Inorganic Nanostructures and Catalysts Research Lab., Chemistry & Chemical Engineering Research Center of Iran, Pajoohesh Blvd., km 17, Karaj Hwy, Tehran 14968-13151 (Iran, Islamic Republic of); Narimani, Khashayar [Inorganic Nanostructures and Catalysts Research Lab., Chemistry & Chemical Engineering Research Center of Iran, Pajoohesh Blvd., km 17, Karaj Hwy, Tehran 14968-13151 (Iran, Islamic Republic of); Mohammadipanah, Fatemeh; Hamedi, Javad [Department of Microbial Biotechnology, School of Biology and Center of Excellence in Phylogeny of Living Organisms, College of Science, University of Tehran, Tehran 14155-6455 (Iran, Islamic Republic of); University of Tehran Biocompound Collection (UTBC), Microbial Technology and Products Research Center, University of Tehran, Tehran (Iran, Islamic Republic of); Tahermansouri, Hasan [Department of Chemistry, Ayatollah Amoli Branch, Islamic Azad University, Amol (Iran, Islamic Republic of); Amini, Mostafa M. [Department of Chemistry, Shahid Behshti University, 1983963113, Tehran (Iran, Islamic Republic of)

    2015-06-30

    Graphical abstract: In an antibacterial test, grafted copper(II) macrocyclic complex on the surface of MWCNT showed higher antibacterial activity against Bacillus subtilis compared to the individual MWCNT-COOH and the complex. - Highlights: • Copper(II) tetraaza macrocyclic complex covalently bonded to modified MWCNT. • Grafting of the complex carried out via an interaction between −C(=O)Cl group and NH of the ligand. • The samples were subjected in an antibacterial assessment to compare their activity. • Immobilized complex showed higher antibacterial activity against Bacillus subtilis ATCC 6633 compared to separately MWCNT-C(C=O)-OH and CuTAM. - Abstract: In a new approach, a copper(II) tetraaza macrocyclic complex (CuTAM) was covalently bonded on modified multi-walled carbon nanotubes (MWCNTs). To achieve this purpose, MWCNTs were converted to MWCNT-COCl and then reacted to NH groups of TAM ligand. The prepared material was characterized by Fourier Transform Infrared (FT-IR), X-ray diffraction (XRD), Raman spectroscopy, thermal gravimetric analysis (TGA), and FESEM (field emission scanning electron microscopy). FT-IR and TGA demonstrated the presence of the organic moieties, and XRD proved that the structure of MWCNTs remained intact during the three modification steps. An increase in the I{sub D}/I{sub G} ratio in Raman spectra confirmed the surface modifications. Finally, the samples were subjected to an antibacterial assessment to compare their biological activity. The antibacterial test showed that the grafted complex on the surface of the nanotube (MWCNT-CO-CuTAM) has higher antibacterial activity against Bacillus subtilis ATCC 6633 than the MWCNT-COOH and CuTAM with 1000 and 2000 μg/mL.

  17. Preparation of Magnetic Sorbent with Surface Modified by C18for Removal of Selected Organic Pollutants from Aqueous Samples

    Science.gov (United States)

    Kuráň, Pavel; Pilnaj, Dominik; Ciencialová, Lucie; Pšenička, Martin

    2017-12-01

    Magnetic sorbents have great potential in environmental applications due to their simple synthesis and separation in magnetic field, usability in heterogeneous systems and low toxicity. Possible syntheses, surface modifications and characteristics were described by Li et al 2013. This type of solid-phase extraction is being successfully used in various fields as health care, microbiology, biotechnologies or sample preconcentration in analytical chemistry. In this preliminary study we report on the preparation and application of magnetically separable sorbent with surface modified by C18 alkyl chain for purification of water contaminated by environmentally hazardous organic compounds. Magnetic cores were co-precipitated from Fe2+ and Fe3+ chlorides in alkalic aqueous solution. Surface of synthetized Fe3O4 was modified with SiO2 by tetraethylorthosilicate to assure physico-chemical stability. Furthermore, Fe3O4/SiO2 complex has been treated by C18 functional group, which provides good affinity towards hydrophobic substances in water. Efficiency of sorption under various conditions has been examined on benzene, toluene, ethylbenzene and xylenes (BTEX), compounds found in petroleum products which contaminate air, soil and groundwater near of store tanks. Sorption kinetics was followed by gas chromatography with mass spectrometry. The preliminary sorption kinetics data and efficiency of BTEX removal point at the possible application of prepared magnetic sorbent for BTEX removal, especially for ethylbenzene and xylenes.

  18. Code Samples Used for Complexity and Control

    Science.gov (United States)

    Ivancevic, Vladimir G.; Reid, Darryn J.

    2015-11-01

    The following sections are included: * MathematicaⓇ Code * Generic Chaotic Simulator * Vector Differential Operators * NLS Explorer * 2C++ Code * C++ Lambda Functions for Real Calculus * Accelerometer Data Processor * Simple Predictor-Corrector Integrator * Solving the BVP with the Shooting Method * Linear Hyperbolic PDE Solver * Linear Elliptic PDE Solver * Method of Lines for a Set of the NLS Equations * C# Code * Iterative Equation Solver * Simulated Annealing: A Function Minimum * Simple Nonlinear Dynamics * Nonlinear Pendulum Simulator * Lagrangian Dynamics Simulator * Complex-Valued Crowd Attractor Dynamics * Freeform Fortran Code * Lorenz Attractor Simulator * Complex Lorenz Attractor * Simple SGE Soliton * Complex Signal Presentation * Gaussian Wave Packet * Hermitian Matrices * Euclidean L2-Norm * Vector/Matrix Operations * Plain C-Code: Levenberg-Marquardt Optimizer * Free Basic Code: 2D Crowd Dynamics with 3000 Agents

  19. Spin crossover in Fe(phen)2(NCS)2 complexes on metallic surfaces

    Science.gov (United States)

    Gruber, Manuel; Miyamachi, Toshio; Davesne, Vincent; Bowen, Martin; Boukari, Samy; Wulfhekel, Wulf; Alouani, Mebarek; Beaurepaire, Eric

    2017-03-01

    In this review, we give an overview on the spin crossover of Fe(phen)2(NCS)2 complexes adsorbed on Cu(100), Cu2N/Cu(100), Cu(111), Co/Cu(111), Co(100), Au(100), and Au(111) surfaces. Depending on the strength of the interaction of the molecules with the substrates, the spin crossover behavior can be drastically changed. Molecules in direct contact with non-magnetic metallic surfaces coexist in both the high- and low-spin states but cannot be switched between the two. Our analysis shows that this is due to a strong interaction with the substrate in the form of a chemisorption that dictates the spin state of the molecules through its adsorption geometry. Upon reducing the interaction to the surface either by adding a second molecular layer or inserting an insulating thin film of Cu2N, the spin crossover behavior is restored and molecules can be switched between the two states with the help of scanning tunneling microscopy. Especially on Cu2N, the two states of single molecules are stable at low temperature and thus allow the realization of a molecular memory. Similarly, the molecules decoupled from metallic substrates in the second or higher layers display thermally driven spin crossover as has been revealed by X-ray absorption spectroscopy. Finally, we discuss the situation when the complex is brought into contact with a ferromagnetic substrate. This leads to a strong exchange coupling between the Fe spin in the high-spin state and the magnetization of the substrate as deduced from spin-polarized scanning tunneling spectroscopy and ab initio calculation.

  20. Approaches to surface complexation modeling of Uranium(VI) adsorption on aquifer sediments

    Science.gov (United States)

    Davis, J.A.; Meece, D.E.; Kohler, M.; Curtis, G.P.

    2004-01-01

    Uranium(VI) adsorption onto aquifer sediments was studied in batch experiments as a function of pH and U(VI) and dissolved carbonate concentrations in artificial groundwater solutions. The sediments were collected from an alluvial aquifer at a location upgradient of contamination from a former uranium mill operation at Naturita, Colorado (USA). The ranges of aqueous chemical conditions used in the U(VI) adsorption experiments (pH 6.9 to 7.9; U(VI) concentration 2.5 ?? 10-8 to 1 ?? 10-5 M; partial pressure of carbon dioxide gas 0.05 to 6.8%) were based on the spatial variation in chemical conditions observed in 1999-2000 in the Naturita alluvial aquifer. The major minerals in the sediments were quartz, feldspars, and calcite, with minor amounts of magnetite and clay minerals. Quartz grains commonly exhibited coatings that were greater than 10 nm in thickness and composed of an illite-smectite clay with occluded ferrihydrite and goethite nanoparticles. Chemical extractions of quartz grains removed from the sediments were used to estimate the masses of iron and aluminum present in the coatings. Various surface complexation modeling approaches were compared in terms of the ability to describe the U(VI) experimental data and the data requirements for model application to the sediments. Published models for U(VI) adsorption on reference minerals were applied to predict U(VI) adsorption based on assumptions about the sediment surface composition and physical properties (e.g., surface area and electrical double layer). Predictions from these models were highly variable, with results overpredicting or underpredicting the experimental data, depending on the assumptions used to apply the model. Although the models for reference minerals are supported by detailed experimental studies (and in ideal cases, surface spectroscopy), the results suggest that errors are caused in applying the models directly to the sediments by uncertain knowledge of: 1) the proportion and types of

  1. Chemical functionalization of crystalline silicon surface with complexes of type (M3 (Dpa) 4X2) for the development of electronic devices

    International Nuclear Information System (INIS)

    Sanchez Zamora, Maria Alejandra

    2012-01-01

    New surfaces on crystalline silicon (100) diamines have been developed. The diamines 4-aminopyridine, 4-aminomethylpyridine and 1,12-dodecildiame, and self-assembled surfaces Si-diamine-metallic complexes, with cooper (II) acetate and trimetal Cu 3 (dpa) 4 CI 2 were studied. These surfaces are characterized with X-ray photoelectron spectroscopy (XPS), chemical force microscopy (CFM), by contact angle and cyclic voltammetry (CV). The XPS has suggested the formation of diamines monolayers with covalent binding to crystalline silicon, and modification of these surfaces, with metal complexes by coordination chemistry. The CFM has confirmed that surfaces are modified with diamines and cooper (II) acetate, and that were determined different chemical forces according to the change. The contact angle has been suggested that the functionalized surface with 4-aminomethylpyridine has had similar basicity to 1,12-dodecildiame, and more than 4-aminopyridine. This implies that the coordination with metallics complexes is benefited with 4-aminopyridine, which in turn is reflected with electrochemical data. Cyclic voltammetry analysis have showed that silicon surfaces with 4-aminomethylpyridine and 4-aminopyridine with cooper (II) acetate and trimetal have been electrochemically active. Thus, the surfaces could to have interesting applications in molecular electronics. (author) [es

  2. Data Validation Package - April and July 2015 Groundwater and Surface Water Sampling at the Gunnison, Colorado, Processing Site

    Energy Technology Data Exchange (ETDEWEB)

    Linard, Joshua [Dept. of Energy (DOE), Washington, DC (United States). Office of Legacy Management; Campbell, Sam [Navarro Research and Engineering, Inc., Oak Ridge, TN (United States)

    2016-02-01

    This event included annual sampling of groundwater and surface water locations at the Gunnison, Colorado, Processing Site. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites. Samples were collected from 28 monitoring wells, three domestic wells, and six surface locations in April at the processing site as specified in the 2010 Ground Water Compliance Action Plan for the Gunnison, Colorado, Processing Site. Domestic wells 0476 and 0477 were sampled in July because the homes were unoccupied in April, and the wells were not in use. Duplicate samples were collected from locations 0113, 0248, and 0477. One equipment blank was collected during this sampling event. Water levels were measured at all monitoring wells that were sampled. No issues were identified during the data validation process that requires additional action or follow-up.

  3. A Miniaturized Variable Pressure Scanning Electron Microscope (MVP-SEM) for In-Situ Mars Surface Sample Analysis

    Science.gov (United States)

    Edmunson, J.; Gaskin, J. A.; Jerman, G. A.; Harvey, R. P.; Doloboff, I. J.; Neidholdt, E. L.

    2016-01-01

    The Miniaturized Variable Pressure Scanning Electron Microscope (MVP-SEM) project, funded by the NASA Planetary Instrument Concepts for the Advancement of Solar System Observations (PICASSO) Research Opportunities in Space and Earth Sciences (ROSES), will build upon previous miniaturized SEM designs and recent advancements in variable pressure SEM's to design and build a SEM to complete analyses of samples on the surface of Mars using the atmosphere as an imaging medium. This project is a collaboration between NASA Marshall Space Flight Center (MSFC), the Jet Propulsion Laboratory (JPL), electron gun and optics manufacturer Applied Physics Technologies, and small vacuum system manufacturer Creare. Dr. Ralph Harvery and environmental SEM (ESEM) inventor Dr. Gerry Danilatos serve as advisors to the team. Variable pressure SEMs allow for fine (nm-scale) resolution imaging and micron-scale chemical study of materials without sample preparation (e.g., carbon or gold coating). Charging of a sample is reduced or eliminated by the gas surrounding the sample. It is this property of ESEMs that make them ideal for locations where sample preparation is not yet feasible, such as the surface of Mars. In addition, the lack of sample preparation needed here will simplify the sample acquisition process and allow caching of the samples for future complementary payload use.

  4. Matrix modifiers application during microimpurities determination in complex samples by electrothermal atomic-absorption spectrometry

    International Nuclear Information System (INIS)

    Bejzel', N.F.; Daaman, F.I.; Fuks-Pol', G.R.; Yudelevich, I.G.

    1993-01-01

    The review covers publications of primarily last 5 years and is devoted to the use of matrix modifiers (MM) for the determinations of trace impurities in complex samples by electrothermal atomic-absorption analysis. The role of MM in analytical process has been discussed as well as MM influence on all the elements of analytical system; factors, determining the effectiveness of MM action, the basis types of MM have been described. A great body of information is tabulated on the use of different MM for the determination of particular analysis in geological, medicobiological, technological, ecological samples and in pure materials and chemicals

  5. Matrix modification for determination of microimpurities in complex samples by electrothermal atomic-absorption spectrometry

    International Nuclear Information System (INIS)

    Bejzel', N.F.; Daaman, F.I.; Fuks-Pol', G.R.; Yudelevich, I.G.

    1993-01-01

    The review covers publications of primarily last 5 years and is devoted to the use of matrix modifiers (MM) for the determinations of trace impurities in complex samples by electrothermal atomic-absorption analysis. The role of MM in analytical process has been discussed as well as MM influence on all the elements of analytical system; factors, determining the effectiveness of MM action, the basis types of MM have been described. A great body of information is tabulated on the use of different MM for the determination of particular analysis in geological, medicobiological, technological, ecological samples and in pure materials and chemicals

  6. Area G perimeter surface-soil and single-stage water sampling. Environmental surveillance for fiscal year 95. Progress report

    International Nuclear Information System (INIS)

    Childs, M.; Conrad, R.

    1997-09-01

    ESH-19 personnel collected soil and single-stage water samples around the perimeter of Area G at Los Alamos National Laboratory (LANL) during FY 95 to characterize possible radionuclide movement out of Area G through surface water and entrained sediment runoff. Soil samples were analyzed for tritium, total uranium, isotopic plutonium, americium-241, and cesium-137. The single-stage water samples were analyzed for tritium and plutonium isotopes. All radiochemical data was compared with analogous samples collected during FY 93 and 94 and reported in LA-12986 and LA-13165-PR. Six surface soils were also submitted for metal analyses. These data were included with similar data generated for soil samples collected during FY 94 and compared with metals in background samples collected at the Area G expansion area

  7. Retrievals of Surface Air Temperature Using Multiple Satellite Data Combinations over Complex Terrain in the Korean Peninsula

    Science.gov (United States)

    Jang, K.; Won, M.; Yoon, S.; Lim, J.

    2016-12-01

    Surface air temperature (Tair) is a fundamental factor for terrestrial environments and plays a major role in the fields of applied meteorology, climatology, and ecology. The satellite remotely sensed data offers the opportunity to estimate Tair on the earth's surface with high spatial and temporal resolutions. The Moderate Resolution Imaging Spectroradiometer (MODIS) provides effective Tair retrievals although restricted to clear sky condition. MODIS Tair over complex terrain can result in significant retrieval errors due to the retrieval height mismatch to the elevation of local weather stations. In this study, we propose the methodology to estimate Tair over complex terrain for all sky conditions using multiple satellite data fusion based on the pixel-wise regression method. The combination of synergistic information from MODIS Tair and the brightness temperature (Tb) retrievals at 37 GHz frequency from the satellite microwave sensor were used for analysis. The air temperature lapse rate was applied to estimate the near-surface Tair considering the complex terrain such as mountainous regions. The retrieval results produced from this study showed a good agreement (RMSE Administration (KMA). The gaps in the MODIS Tair data due to cloud contamination were successfully filled using the proposed method which yielded similar accuracy as retrievals of clear sky. The results of this study indicate that the satellite data fusion can continuously produce Tair retrievals with reasonable accuracy and that the application of the temperature lapse rate can lead to improvement of the reliability over complex terrains such as the Korean Peninsula.

  8. The complex ac susceptibility of superconducting Y-Ba-CuO thin film and bulk samples

    International Nuclear Information System (INIS)

    Lobotka, P.; Goemoery, F.

    1988-01-01

    Complex ac susceptibility measurements as function of temperature on Y-Ba-CuO superconductors are reported. A strong dependence of the susceptibility curves on the ac field magnitude and little influence of the superimposed dc field are observed on both, thin film and bulk samples. The susceptibilities of these materials are frequency independent in the range 30 to 7200 Hz what demonstrates the negligible role of eddy currents. A second peak in the imaginary part of susceptibility is observed in the bulk sample at higher levels of ac field. This implies the existence of another component in the sample with higher T c and lower losses. (author)

  9. Separation and characterization of nanoparticles in complex food and environmental samples by field-flow fractionation

    DEFF Research Database (Denmark)

    Kammer, Frank von der; Legros, Samuel; Hofmann, Thilo

    2011-01-01

    The thorough analysis of natural nanoparticles (NPs) and engineered NPs involves the sequence of detection, identification, quantification and, if possible, detailed characterization. In a complex or heterogeneous sample, each step of this sequence is an individual challenge, and, given suitable...... has been applied for separation of various types of NP (e.g., organic macromolecules, and carbonaceous or inorganic NPs) in different types of media (e.g., natural waters, soil extracts or food samples).FFF can be coupled to different types of detectors that offer additional information...... conditions on all types of NP in the sample. A holistic methodological approach is preferable to a technique-focused one....

  10. An evaluation of WRF's ability to reproduce the surface wind over complex terrain based on typical circulation patterns.

    NARCIS (Netherlands)

    Jiménez, P.A.; Dudhia, J.; González-Rouco, J.F.; Montávez, J.P.; Garcia-Bustamante, E.; Navarro, J.; Vilà-Guerau de Arellano, J.; Munoz-Roldán, A.

    2013-01-01

    [1] The performance of the Weather Research and Forecasting (WRF) model to reproduce the surface wind circulations over complex terrain is examined. The atmospheric evolution is simulated using two versions of the WRF model during an over 13¿year period (1992 to 2005) over a complex terrain region

  11. Ultrasonic detection technology based on joint robot on composite component with complex surface

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Juan; Xu, Chunguang; Zhang, Lan [School of Mechanical Engineering, Beijing Institute of Technology, Beijing (China)

    2014-02-18

    Some components have complex surface, such as the airplane wing and the shell of a pressure vessel etc. The quality of these components determines the reliability and safety of related equipment. Ultrasonic nondestructive detection is one of the main methods used for testing material defects at present. In order to improve the testing precision, the acoustic axis of the ultrasonic transducer should be consistent with the normal direction of the measured points. When we use joint robots, automatic ultrasonic scan along the component surface normal direction can be realized by motion trajectory planning and coordinate transformation etc. In order to express the defects accurately and truly, the robot position and the signal of the ultrasonic transducer should be synchronized.

  12. Method and system for formation and withdrawal of a sample from a surface to be analyzed

    Science.gov (United States)

    Van Berkel, Gary J.; Kertesz, Vilmos

    2017-10-03

    A method and system for formation and withdrawal of a sample from a surface to be analyzed utilizes a collection instrument having a port through which a liquid solution is conducted onto the surface to be analyzed. The port is positioned adjacent the surface to be analyzed, and the liquid solution is conducted onto the surface through the port so that the liquid solution conducted onto the surface interacts with material comprising the surface. An amount of material is thereafter withdrawn from the surface. Pressure control can be utilized to manipulate the solution balance at the surface to thereby control the withdrawal of the amount of material from the surface. Furthermore, such pressure control can be coordinated with the movement of the surface relative to the port of the collection instrument within the X-Y plane.

  13. Data Validation Package - June 2016 Groundwater and Surface Water Sampling at the Green River, Utah, Disposal Site

    Energy Technology Data Exchange (ETDEWEB)

    Linard, Joshua [USDOE Office of Legacy Management, Washington, DC (United States); Price, Jeffrey [Navarro Research and Engineering, Inc., Las Vegas, NV (United States)

    2016-10-10

    This event included annual sampling of groundwater and surface water locations at the Green River, Utah, Disposal Site. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for US. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated, http://energy.gov/lrnldownloads/sampling-and- analysis-plan-us-department-energy-office-legacy-management-sites). Samples were collected from 15 monitoring wells and two surface locations at the disposal site as specified in the draft 2011 Ground Water Compliance Action Plan for the Green River, Utah, Disposal Site. Planned monitoring locations are shown in Attachment 1, Sampling and Analysis Work Order. A duplicate sample was collected from location 0179. One equipment blank was collected during this sampling event. Water levels were measured at all monitoring wells that were sampled. See Attachment 2, Trip Reports for additional details. The analytical data and associated qualifiers can be viewed in environmental database reports and are also available for viewing with dynamic mapping via the GEMS (Geospatial Environmental Mapping System) website at http://gems.lm.doe.gov/#. No issues were identified during the data validation process that requires additional action or follow-up.

  14. Rapid Screening of Carboxylic Acids from Waste and Surface Waters by ESI-MS/MS Using Barium Ion Chemistry and On-Line Membrane Sampling

    Science.gov (United States)

    Duncan, Kyle D.; Volmer, Dietrich A.; Gill, Chris G.; Krogh, Erik T.

    2016-03-01

    Negative ion tandem mass spectrometric analysis of aliphatic carboxylic acids often yields only non-diagnostic ([M - H]-) ions with limited selective fragmentation. However, carboxylates cationized with Ba2+ have demonstrated efficient dissociation in positive ion mode, providing structurally diagnostic product ions. We report the application of barium adducts followed by collision induced dissociation (CID), to improve selectivity for rapid screening of carboxylic acids in complex aqueous samples. The quantitative MS/MS method presented utilizes common product ions of [M - H + Ba]+ precursor ions. The mechanism of product ion formation is investigated using isotopically labeled standards and a series of structurally related carboxylic acids. The results suggest that hydrogen atoms in the β and γ positions yield common product ions ([BaH]+ and [BaOH]+). Furthermore, the diagnostic product ion at m/z 196 serves as a qualifying ion for carboxylate species. This methodology has been successfully used in conjunction with condensed phase membrane introduction mass spectrometry (CP-MIMS), with barium acetate added directly to the methanol acceptor phase. The combination enables rapid screening of carboxylic acids directly from acidified water samples (wastewater effluent, spiked natural waters) using a capillary hollow fiber PDMS membrane immersion probe. We have applied this technique for the direct analysis of complex naphthenic acid mixtures spiked into natural surface waters using CP-MIMS. Selectivity at the ionization and tandem mass spectrometry level eliminate isobaric interferences from hydroxylated species present within the samples, which have been observed in negative electrospray ionization.

  15. Rapid Screening of Carboxylic Acids from Waste and Surface Waters by ESI-MS/MS Using Barium Ion Chemistry and On-Line Membrane Sampling.

    Science.gov (United States)

    Duncan, Kyle D; Volmer, Dietrich A; Gill, Chris G; Krogh, Erik T

    2016-03-01

    Negative ion tandem mass spectrometric analysis of aliphatic carboxylic acids often yields only non-diagnostic ([M - H](-)) ions with limited selective fragmentation. However, carboxylates cationized with Ba(2+) have demonstrated efficient dissociation in positive ion mode, providing structurally diagnostic product ions. We report the application of barium adducts followed by collision induced dissociation (CID), to improve selectivity for rapid screening of carboxylic acids in complex aqueous samples. The quantitative MS/MS method presented utilizes common product ions of [M - H + Ba](+) precursor ions. The mechanism of product ion formation is investigated using isotopically labeled standards and a series of structurally related carboxylic acids. The results suggest that hydrogen atoms in the β and γ positions yield common product ions ([BaH](+) and [BaOH](+)). Furthermore, the diagnostic product ion at m/z 196 serves as a qualifying ion for carboxylate species. This methodology has been successfully used in conjunction with condensed phase membrane introduction mass spectrometry (CP-MIMS), with barium acetate added directly to the methanol acceptor phase. The combination enables rapid screening of carboxylic acids directly from acidified water samples (wastewater effluent, spiked natural waters) using a capillary hollow fiber PDMS membrane immersion probe. We have applied this technique for the direct analysis of complex naphthenic acid mixtures spiked into natural surface waters using CP-MIMS. Selectivity at the ionization and tandem mass spectrometry level eliminate isobaric interferences from hydroxylated species present within the samples, which have been observed in negative electrospray ionization.

  16. The complexity of identifying Ryu-Takayanagi surfaces in AdS{sub 3}/CFT{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Bao, N.; Chatwin-Davies, A. [Walter Burke Institute for Theoretical Physics, California Institute of Technology,Pasadena, CA 91125 (United States)

    2016-11-07

    We present a constructive algorithm for the determination of Ryu-Takayanagi surfaces in AdS{sub 3}/CFT{sub 2} which exploits previously noted connections between holographic entanglement entropy and max-flow/min-cut. We then characterize its complexity as a polynomial time algorithm.

  17. Quantitative Caffeine Analysis Using a Surface Sampling Probe Electrospray Ionization Tandem Mass Spectrometry System

    Energy Technology Data Exchange (ETDEWEB)

    Ford, Michael J [ORNL; Deibel, Michael A. [Earlham College; Tomkins, Bruce A [ORNL; Van Berkel, Gary J [ORNL

    2005-01-01

    Quantitative determination of caffeine on reversed-phase C8 thin-layer chromatography plates using a surface sampling electrospray ionization system with tandem mass spectrometry detection is reported. The thin-layer chromatography/electrospray tandem mass spectrometry method employed a deuterium-labeled caffeine internal standard and selected reaction monitoring detection. Up to nine parallel caffeine bands on a single plate were sampled in a single surface scanning experiment requiring 35 min at a surface scan rate of 44 {mu}m/s. A reversed-phase HPLC/UV caffeine assay was developed in parallel to assess the mass spectrometry method performance. Limits of detection for the HPLC/UV and thin-layer chromatography/electrospray tandem mass spectrometry methods determined from the calibration curve statistics were 0.20 ng injected (0.50 {mu}L) and 1.0 ng spotted on the plate, respectively. Spike recoveries with standards and real samples ranged between 97 and 106% for both methods. The caffeine content of three diet soft drinks (Diet Coke, Diet Cherry Coke, Diet Pepsi) and three diet sport drinks (Diet Turbo Tea, Speed Stack Grape, Speed Stack Fruit Punch) was measured. The HPLC/UV and mass spectrometry determinations were in general agreement, and these values were consistent with the quoted values for two of the three diet colas. In the case of Diet Cherry Coke and the diet sports drinks, the determined caffeine amounts using both methods were consistently higher (by 8% or more) than the literature values.

  18. Structural characterization and Hirshfeld surface analysis of a CoII complex with imidazo[1,2-a]pyridine

    Directory of Open Access Journals (Sweden)

    Saikat Kumar Seth

    2018-05-01

    Full Text Available A new mononuclear tetrahedral CoII complex, dichloridobis(imidazo[1,2-a]pyridine-κN1cobalt(II, [CoCl2(C7H6N22], has been synthesized using a bioactive imidazopyridine ligand. X-ray crystallography reveals that the solid-state structure of the title complex exhibits both C—H...Cl and π–π stacking interactions in building supramolecular assemblies. Indeed, the molecules are linked by C—H...Cl interactions into a two-dimensional framework, with finite zero-dimensional dimeric units as building blocks, whereas π–π stacking plays a crucial role in building a supramolecular layered network. An exhaustive investigation of the diverse intermolecular interactions via Hirshfeld surface analysis enables contributions to the crystal packing of the title complex to be quantified. The fingerprint plots associated with the Hirshfeld surface clearly display each significant interaction involved in the structure, by quantifying them in an effective visual manner.

  19. One-level modeling for diagnosing surface winds over complex terrain. II - Applicability to short-range forecasting

    Science.gov (United States)

    Alpert, P.; Getenio, B.; Zak-Rosenthal, R.

    1988-01-01

    The Alpert and Getenio (1988) modification of the Mass and Dempsey (1985) one-level sigma-surface model was used to study four synoptic events that included two winter cases (a Cyprus low and a Siberian high) and two summer cases. Results of statistical verification showed that the model is not only capable of diagnosing many details of surface mesoscale flow, but might also be useful for various applications which require operative short-range prediction of the diurnal changes of high-resolution surface flow over complex terrain, for example, in locating wildland fires, determining the dispersion of air pollutants, and predicting changes in wind energy or of surface wind for low-level air flights.

  20. Get a grip on chaos: Tailored measures for complex systems on surfaces

    Science.gov (United States)

    Firle, Sascha Oliver

    Complex systems are ubiquitous in physics, biology and mathematics. This thesis is concerned with describing and understanding complex systems. Some new concepts about how large systems can be viewed in a lower dimensional framework are proposed. The systems presented are examples from ecology and chemistry. In both cases we have a large amount of interacting units that can be understood by The predator-prey system investigated consists of ground beetles, Pterostichus cuprens L. (Coleoptera: Carabidae), that feeds on bird-cherry oat aphids. The beetles' movement can consistently be described by a combined model of surface diffusion and biased random walk. This allows conclusions about how fast and in which fashion the beetle covers its habitat. Movement is dependent on aphid densities and predation, in turn modifies aphid distributions locally. The presented generalized functional response theory describes predation rates in the presence of spatial heterogeneity. A single measure for fragmentation captures all essential features of the prey aggregation and allows the estimation of outbreak densities and distributions. The chemical example is the catalytic oxidation of CO on a Pt(110) single crystal surface. Unstable periodic orbits reconstructed from experimental data are used to reveal the topology of the attractor, underlying the time series dynamics. The found braid supports an orbit which implies that the time series is chaotic. The system is simulated numerically by a set of partial differential equations for surface coverage in one space dimension. The bifurcation diagram of the corresponding traveling wave ODE reveals the homoclinic and heteroclinic orbits that organize the phase space and mediate the transition to chaos. Studies in the PDE- framework relate this to the stability and to the interaction of pulse-like solutions.

  1. Strategy for Ranking the Science Value of the Surface of Asteroid 101955 Bennu for Sample Site Selection for Osiris-REx

    Science.gov (United States)

    Nakamura-Messenger, K.; Connolly, H. C., Jr.; Lauretta, D. S.

    2014-01-01

    OSRIS-REx is NASA's New Frontiers 3 sample return mission that will return at least 60 g of pristine surface material from near-Earth asteroid 101955 Bennu in September 2023. The scientific value of the sample increases enormously with the amount of knowledge captured about the geological context from which the sample is collected. The OSIRIS-REx spacecraft is highly maneuverable and capable of investigating the surface of Bennu at scales down to the sub-cm. The OSIRIS-REx instruments will characterize the overall surface geology including spectral properties, microtexture, and geochemistry of the regolith at the sampling site in exquisite detail for up to 505 days after encountering Bennu in August 2018. The mission requires at the very minimum one acceptable location on the asteroid where a touch-and-go (TAG) sample collection maneuver can be successfully per-formed. Sample site selection requires that the follow-ing maps be produced: Safety, Deliverability, Sampleability, and finally Science Value. If areas on the surface are designated as safe, navigation can fly to them, and they have ingestible regolith, then the scientific value of one site over another will guide site selection.

  2. Daily Based Morgan–Morgan–Finney (DMMF Model: A Spatially Distributed Conceptual Soil Erosion Model to Simulate Complex Soil Surface Configurations

    Directory of Open Access Journals (Sweden)

    Kwanghun Choi

    2017-04-01

    Full Text Available In this paper, we present the Daily based Morgan–Morgan–Finney model. The main processes in this model are based on the Morgan–Morgan–Finney soil erosion model, and it is suitable for estimating surface runoff and sediment redistribution patterns in seasonal climate regions with complex surface configurations. We achieved temporal flexibility by utilizing daily time steps, which is suitable for regions with concentrated seasonal rainfall. We introduce the proportion of impervious surface cover as a parameter to reflect its impacts on soil erosion through blocking water infiltration and protecting the soil from detachment. Also, several equations and sequences of sub-processes are modified from the previous model to better represent physical processes. From the sensitivity analysis using the Sobol’ method, the DMMF model shows the rational response to the input parameters which is consistent with the result from the previous versions. To evaluate the model performance, we applied the model to two potato fields in South Korea that had complex surface configurations using plastic covered ridges at various temporal periods during the monsoon season. Our new model shows acceptable performance for runoff and the sediment loss estimation ( NSE ≥ 0.63 , | PBIAS | ≤ 17.00 , and RSR ≤ 0.57 . Our findings demonstrate that the DMMF model is able to predict the surface runoff and sediment redistribution patterns for cropland with complex surface configurations.

  3. Complexation of lead by organic matter in Luanda Bay, Angola.

    Science.gov (United States)

    Leitão, Anabela; Santos, Ana Maria; Boaventura, Rui A R

    2015-10-01

    Speciation is defined as the distribution of an element among different chemical species. Although the relation between speciation and bioavailability is complex, the metal present as free hydrated ion, or as weak complexes able to dissociate, is usually more bioavailable than the metal incorporated in strong complexes or adsorbed on colloidal or particulate matter. Among the analytical techniques currently available, anodic stripping voltammetry (ASV) has been one of the most used in the identification and quantification of several heavy metal species in aquatic systems. This work concerns the speciation study of lead, in original (natural, non-filtered) and filtered water samples and in suspensions of particulate matter and sediments from Luanda Bay (Angola). Complexes of lead with organics were identified and quantified by differential pulse anodic stripping voltammetry technique. Each sample was progressively titrated with a Pb(II) standard solution until complete saturation of the organic ligands. After each addition of Pb(II), the intensity, potential and peak width of the voltammetric signal were measured. The results obtained in this work show that more than 95 % of the lead in the aquatic environment is bound in inert organic complexes, considering all samples from different sampling sites. In sediment samples, the lead is totally (100 %) complexed with ligands adsorbed on the particles surface. Two kinds of dominant lead complexes, very strong (logK >11) and strong to moderately strong (8< logK <11), were found, revealing the lead affinity for the stronger ligands.

  4. Surface damage in TEM thick α-Fe samples by implantation with 150 keV Fe ions

    International Nuclear Information System (INIS)

    Aliaga, M.J.; Caturla, M.J.; Schäublin, R.

    2015-01-01

    We have performed molecular dynamics simulations of implantation of 150 keV Fe ions in pure bcc Fe. The thickness of the simulation box is of the same order of those used in in situ TEM analysis of irradiated materials. We assess the effect of the implantation angle and the presence of front and back surfaces. The number and type of defects, ion range, cluster distribution and primary damage morphology are studied. Results indicate that, for the very thin samples used in in situ TEM irradiation experiments the presence of surfaces affect dramatically the damage produced. At this particular energy, the ion has sufficient energy to damage both the top and the back surfaces and still leave the sample through the bottom. This provides new insights on the study of radiation damage using TEM in situ

  5. Field desorption and field ion surface studies of samples exposed to the plasmas of PLT and ISX

    International Nuclear Information System (INIS)

    Kellogg, G.L.; Panitz, J.A.

    1978-01-01

    Modifications to the surface of field-ion specimens exposed to plasma discharges in PLT and ISX determined by Imaging Probe, Field Ion Microscope, and Transmission Electron Microscope analysis have in the past shown several consistent features. Surface films consisting primarily of limiter material with trapped plasma and impurity species have been found to reside on samples with direct line of sight exposure to the plasma during the discharges. Control specimens placed in the tokamak, but shielded from the plasma, on the other hand, remained free of deposits. When exposed to only high power plasma discharges, samples placed at the wall position in PLT and ISX have survived the exposures with no evidence of damage or implantation. In this paper we describe the results of a recent exposure in PLT in which for the first time samples of stainless steel were included for High-Field Surface Analysis. Tokamak operating conditions, including stainless-steel limiters, titanium gettering between discharges, and the occurrence of a disruption, also distinguished this exposure from those carried out previously. Surprisingly, even with stainless-steel limiters, carbon films were found to be deposited on the samples at a rate

  6. Surface Wind Regionalization over Complex Terrain: Evaluation and Analysis of a High-Resolution WRF Simulation

    NARCIS (Netherlands)

    Jiménez, P.A.; González-Rouco, J.F.; García-Bustamante, E.; Navarro, J.; Montávez, J.P.; Vilà-Guerau de Arellano, J.; Dudhia, J.; Muñoz-Roldan, A.

    2010-01-01

    This study analyzes the daily-mean surface wind variability over an area characterized by complex topography through comparing observations and a 2-km-spatial-resolution simulation performed with the Weather Research and Forecasting (WRF) model for the period 1992–2005. The evaluation focuses on the

  7. Clostridium difficile from food and surface samples in a Belgian nursing home: an unlikely source of contamination.

    Science.gov (United States)

    Rodriguez, C; Korsak, N; Taminiau, B; Avesani, V; Van Broeck, J; Brach, P; Delmée, M; Daube, G

    2015-04-01

    This study investigates the contamination of foods and surfaces with Clostridium difficile in a single nursing home. C. difficile PCR-ribotype 078 was found in one food sample and in none of the tested surfaces. These results indicate that food and surfaces are an unlikely source of C. difficile infection in this setting. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Surface stabilized GMR nanorods of silver coated CrO{sub 2} synthesized via a polymer complex at ambient pressure

    Energy Technology Data Exchange (ETDEWEB)

    Biswas, S., E-mail: drsomnathbiswas@gmail.com [The LNM Institute of Information Technology, Jaipur-302031 (India); Singh, G.P. [Centre for Nanotechnology, Central University of Jharkhand, Ranchi-835205 (India); Ram, S. [Materials Science Centre, Indian Institute of Technology, Kharagpur-721302 (India); Fecht, H.-J. [Insitut für Micro-und Nanomaterialien, Universität Ulm, Albert Einstein Allee-47, Ulm, D-89081, and Forschungszentrum Karlsruhe, Institute of Nanotechnology, Karlsruhe, D-76021 (Germany)

    2013-08-15

    Stable anisotropic nanorods of surface modified CrO{sub 2} (∼18 nm diameter) with a correlated diamagnetic layer (2–3 nm thickness) of silver efficiently tailors useful magnetic and magnetoresistance (MR) properties. Essentially, it involves a core-shell structure that is developed by displacing part of Cr{sup 4+} ions by Ag atoms on the CrO{sub 2} surface (topotactic surface layer) via an etching reaction of a CrO{sub 2}-polymer complex with Ag{sup +} ions in hot water followed by heating the dried sample at 300–400 °C in air. The stable Ag-layer so obtained in the form of a shell protects CrO{sub 2} such that it no longer converts to Cr{sub 2}O{sub 3} in ambient pressure during the processing. X-ray diffractogram of the Rutile type tetragonal CrO{sub 2} structure (lattice parameters a=0.4429 nm and c=0.2950 nm) includes weak peaks of a minority phase of an fcc-Ag (a=0.4086 nm). The silver surface layer, which manifests itself in a doublet of the 3d{sub 5/2} and 3d{sub 3/2} X-ray photoelectron bands of binding energies 368.46 eV and 374.48 eV, respectively, suppresses almost all Cr bands to appear in a measurable intensity. The sample exhibits a distinctly enhanced MR-value, e.g., (−) 7.6% at 77 K, than reported values in compacted CrO{sub 2} powders or composites. Such a large MR-value in the Coulomb blockade regime (<100 K) arises not only due to the suppressed spin flipping at low temperature but also from a spin dependent co-tunneling through an interlinked structure of silver and silver coated CrO{sub 2} nanorods. - Highlights: • Synthesis and structural studies of a novel GMR material of Ag coated CrO{sub 2}. • Tailoring useful GMR property in CrO{sub 2} nanorods of controlled shape and anisotropy. • Enhanced GMR is explained in correlation to the surface structure of CrO{sub 2} nanorods.

  9. May 2013 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    Energy Technology Data Exchange (ETDEWEB)

    Hutton, Rick [S.M. Stoller Corporation, Broomfield, CO (United States)

    2013-10-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 14-16, 2013, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location CER #1 Black Sulphur. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry and for tritium using the conventional and enrichment methods.

  10. Plasma treatment of bulk niobium surface for superconducting rf cavities: Optimization of the experimental conditions on flat samples

    Directory of Open Access Journals (Sweden)

    M. Rašković

    2010-11-01

    Full Text Available Accelerator performance, in particular the average accelerating field and the cavity quality factor, depends on the physical and chemical characteristics of the superconducting radio-frequency (SRF cavity surface. Plasma based surface modification provides an excellent opportunity to eliminate nonsuperconductive pollutants in the penetration depth region and to remove the mechanically damaged surface layer, which improves the surface roughness. Here we show that the plasma treatment of bulk niobium (Nb presents an alternative surface preparation method to the commonly used buffered chemical polishing and electropolishing methods. We have optimized the experimental conditions in the microwave glow discharge system and their influence on the Nb removal rate on flat samples. We have achieved an etching rate of 1.7  μm/min⁡ using only 3% chlorine in the reactive mixture. Combining a fast etching step with a moderate one, we have improved the surface roughness without exposing the sample surface to the environment. We intend to apply the optimized experimental conditions to the preparation of single cell cavities, pursuing the improvement of their rf performance.

  11. FLOQSwabTM: optimisation of procedures for the recovery of microbiological samples from surfaces

    Directory of Open Access Journals (Sweden)

    Guido Finazzi

    2016-08-01

    Full Text Available The FLOQSwabTM is a specimen collection device worldwide recognised for its superior performance in the clinical diagnostics. The aim of this work was to evaluate FLOQSwabTM for the recovery of microbiological samples from surfaces compared to the traditional swab (rayon tipped swab as per ISO 18593:2004 standard. The FLOQSwabTM, thanks to its innovative manufacturing technology, allows improving the efficiency of recovery and release of analyte. The study has been divided into two experiments. In the first experiment the two swabs were evaluated for their capacity to recover and release the analyte (three different bacterial loads of Escherichia coli. In the second experiment, the two swabs were evaluated for their capacity to recover three different bacterial loads of E. coli from two different surface materials (stainless steel and polypropylene. In all experiments the flocked swab demonstrated a higher recovery rate compared to the traditional rayon tipped swab. The data obtained from this preliminary study demonstrated that the FLOQSwabTM could be a good food surfaces collection device, which improves the recovery of the analyte and thus produces accurate results. Based on the outcomes of the study, a larger field study is in progress using the FLOQSwabTM for samples collection to improve both environmental monitoring and the efficacy of the hygiene controls for food safety.

  12. Quantitative evaluation and modeling of two-dimensional neovascular network complexity: the surface fractal dimension

    International Nuclear Information System (INIS)

    Grizzi, Fabio; Russo, Carlo; Colombo, Piergiuseppe; Franceschini, Barbara; Frezza, Eldo E; Cobos, Everardo; Chiriva-Internati, Maurizio

    2005-01-01

    Modeling the complex development and growth of tumor angiogenesis using mathematics and biological data is a burgeoning area of cancer research. Architectural complexity is the main feature of every anatomical system, including organs, tissues, cells and sub-cellular entities. The vascular system is a complex network whose geometrical characteristics cannot be properly defined using the principles of Euclidean geometry, which is only capable of interpreting regular and smooth objects that are almost impossible to find in Nature. However, fractal geometry is a more powerful means of quantifying the spatial complexity of real objects. This paper introduces the surface fractal dimension (D s ) as a numerical index of the two-dimensional (2-D) geometrical complexity of tumor vascular networks, and their behavior during computer-simulated changes in vessel density and distribution. We show that D s significantly depends on the number of vessels and their pattern of distribution. This demonstrates that the quantitative evaluation of the 2-D geometrical complexity of tumor vascular systems can be useful not only to measure its complex architecture, but also to model its development and growth. Studying the fractal properties of neovascularity induces reflections upon the real significance of the complex form of branched anatomical structures, in an attempt to define more appropriate methods of describing them quantitatively. This knowledge can be used to predict the aggressiveness of malignant tumors and design compounds that can halt the process of angiogenesis and influence tumor growth

  13. An Evaluation of Fractal Surface Measurement Methods for Characterizing Landscape Complexity from Remote-Sensing Imagery

    Science.gov (United States)

    Lam, Nina Siu-Ngan; Qiu, Hong-Lie; Quattrochi, Dale A.; Emerson, Charles W.; Arnold, James E. (Technical Monitor)

    2001-01-01

    The rapid increase in digital data volumes from new and existing sensors necessitates the need for efficient analytical tools for extracting information. We developed an integrated software package called ICAMS (Image Characterization and Modeling System) to provide specialized spatial analytical functions for interpreting remote sensing data. This paper evaluates the three fractal dimension measurement methods: isarithm, variogram, and triangular prism, along with the spatial autocorrelation measurement methods Moran's I and Geary's C, that have been implemented in ICAMS. A modified triangular prism method was proposed and implemented. Results from analyzing 25 simulated surfaces having known fractal dimensions show that both the isarithm and triangular prism methods can accurately measure a range of fractal surfaces. The triangular prism method is most accurate at estimating the fractal dimension of higher spatial complexity, but it is sensitive to contrast stretching. The variogram method is a comparatively poor estimator for all of the surfaces, particularly those with higher fractal dimensions. Similar to the fractal techniques, the spatial autocorrelation techniques are found to be useful to measure complex images but not images with low dimensionality. These fractal measurement methods can be applied directly to unclassified images and could serve as a tool for change detection and data mining.

  14. Analysis the complex interaction among flexible nanoparticles and materials surface in the mechanical polishing process

    Energy Technology Data Exchange (ETDEWEB)

    Han Xuesong, E-mail: hanxuesongphd@yahoo.com.cn [School of Mechanical Engineering, Tianjin University, 300072 (China); Gan, Yong X. [Department of Mechanical, Industrial and Manufacturing Engineering, University of Toledo, OH 43606 (United States)

    2011-02-01

    Mechanical polishing (MP), being the important technique of realizing the surface planarization, has already been widely applied in the area of microelectronic manufacturing and computer manufacturing technology. The surface planarization in the MP is mainly realized by mechanical process which depended on the microdynamic behavior of nanoparticle. The complex multibody interaction among nanoparticles and materials surface is different from interaction in the macroscopic multibody system which makes the traditional classical materials machining theory cannot accurately uncover the mystery of the surface generation in the MP. Large-scale classical molecular dynamic (MD) simulation of interaction among nanoparticles and solid surface has been carried out to investigate the physical essence of surface planarization. The particles with small impact angle can generate more uniform global planarization surface but the materials removal rate is lower. The shear interaction between particle and substrate may induce large friction torque and lead to the rotation of particle. The translation plus rotation makes the nanoparticle behaved like micro-milling tool. The results show that the nanoparticles may aggregrate together and form larger cluster thus deteriorate surface the quality. This MD simulation results illuminate that the f inal planarized surface can only be acquired by synergic behavior of all particles using various means such as cutting, impacting, scratching, indentation and so on.

  15. Characterization of the March 2017 tank 10 surface sample (combination of HTF-10-17-30 AND HTF-10-17-31) and variable depth sample (combination of HTF-10-17-32 and HTF-10-17-33)

    Energy Technology Data Exchange (ETDEWEB)

    Reboul, S. H. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-07-19

    Two surface samples (HTF-10-17-30 and HTF-10-17-31) and two variable depth samples (HTF-10-17-32 and HTF-10-17-33) were collected from SRS Tank 10 during March 2017 and submitted to SRNL for characterization. At SRNL, the two surface samples were combined in one container, the two variable depth samples (VDSs) were combined in another container, and then the two composite samples were each characterized by a series of physical, ionic, radiological, and elemental analysis methods. The surface sample composite was characterized primarily for Tank Farm corrosion control purposes, while the VDS composite was characterized primarily for Tank Closure Cesium Removal (TCCR) purposes.

  16. New possibilities of complex "Thermodyn" application for contactless remote diagnostics in medical practice

    Science.gov (United States)

    Belov, M. Ye.; Shayko-Shaykovskiy, O. G.; Makhrova, Ye. G.; Kramar, V. M.; Oleksuik, I. S.

    2018-01-01

    We represent here the theoretical justifications, block scheme and experimental sample of a new automated complex "Thermodyn" for remote contactless diagnostics of inflammatory processes of the surfaces and in subcutaneous areas of human body. Also we described here the methods and results of diagnostic measurements, and results of practical applications of this complex.

  17. Individual IOL Surface Topography Analysis by the WaveMaster Reflex UV

    Directory of Open Access Journals (Sweden)

    Marc Kannengießer

    2013-01-01

    Full Text Available Purpose. In order to establish inspection routines for individual intraocular lenses (IOLs, their surfaces have to be measured separately. Currently available measurement devices lack this functionality. The purpose of this study is to evaluate a new topography measurement device based on wavefront analysis for measuring individual regular and freeform IOL surfaces, the “WaveMaster Reflex UV” (Trioptics, Wedel, Germany. Methods. Measurements were performed on IOLs with increasingly complex surface geometries: spherical surfaces, surfaces modelled by higher-order Zernike terms, and freeform surfaces from biometrical patient data. Two independent parameters were measured: the sample’s radius of curvature (ROC and its residual (difference of sample topography and its best-fit sphere. We used a quantitative analysis method by calculating the residuals’ root-mean-square (RMS and peak-to-Valley (P2V values. Results. The sample’s best-fit ROC differences increased with the sample’s complexity. The sample’s differences of RMS values were 80 nm for spherical surfaces, 97 nm for higher-order samples, and 21 nm for freeform surfaces. Graphical representations of both measurement and design topographies were recorded and compared. Conclusion. The measurements of spherical surfaces expectedly resulted in better values than those of freeform surfaces. Overall, the wavefront analysing method proves to be an effective method for evaluating individual IOL surfaces.

  18. Native Liquid Extraction Surface Analysis Mass Spectrometry: Analysis of Noncovalent Protein Complexes Directly from Dried Substrates

    Science.gov (United States)

    Martin, Nicholas J.; Griffiths, Rian L.; Edwards, Rebecca L.; Cooper, Helen J.

    2015-08-01

    Liquid extraction surface analysis (LESA) mass spectrometry is a promising tool for the analysis of intact proteins from biological substrates. Here, we demonstrate native LESA mass spectrometry of noncovalent protein complexes of myoglobin and hemoglobin from a range of surfaces. Holomyoglobin, in which apomyoglobin is noncovalently bound to the prosthetic heme group, was observed following LESA mass spectrometry of myoglobin dried onto glass and polyvinylidene fluoride surfaces. Tetrameric hemoglobin [(αβ)2 4H] was observed following LESA mass spectrometry of hemoglobin dried onto glass and polyvinylidene fluoride (PVDF) surfaces, and from dried blood spots (DBS) on filter paper. Heme-bound dimers and monomers were also observed. The `contact' LESA approach was particularly suitable for the analysis of hemoglobin tetramers from DBS.

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

    Science.gov (United States)

    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. © 2016 The Author(s).

  20. Tissue reactions to bacteria-inoculated rat lead samples .2. Effect of local gentamicin release through surface-modified polyurethane tubing

    NARCIS (Netherlands)

    vanWachem, PB; vanLuyn, MJA; deWit, AW; Raatjes, D; Hendriks, M; Verhoeven, MLPM; Cahalan, PT

    A surface modification technique was developed to achieve controlled release of gentamicin from implanted polyurethane (PU) rat lead samples. PU tubing first was provided with an acrylic acid/acrylamide copolymer surface graft and then loaded with gentamicin. This surface modification technique

  1. Sorption of uranium (VI) on homoionic sodium smectite experimental study and surface complexation modeling.

    Science.gov (United States)

    Korichi, Smain; Bensmaili, Aicha

    2009-09-30

    This paper is an extension of a previous paper where the natural and purified clay in the homoionic Na form were physico-chemically characterized (doi:10.1016/j.clay.2008.04.014). In this study, the adsorption behavior of U (VI) on a purified Na-smectite suspension is studied using batch adsorption experiments and surface complexation modeling (double layer model). The sorption of uranium was investigated as a function of pH, uranium concentration, solid to liquid ratio, effect of natural organic matter (NOM) and NaNO(3) background electrolyte concentration. Using the MINTEQA2 program, the speciation of uranium was calculated as a function of pH and uranium concentration. Model predicted U (VI) aqueous speciation suggests that important aqueous species in the [U (VI)]=1mg/L and pH range 3-7 including UO(2)(2+), UO(2)OH(+), and (UO(2))(3)(OH)(5)(+). The concentration of UO(2)(2+) decreased and that of (UO(2))(3)(OH)(5)(+) increased with increasing pH. The potentiometric titration values and uptake of uranium in the sodium smectite suspension were simulated by FITEQL 4.0 program using a two sites model, which is composed of silicate and aluminum reaction sites. We compare the acidity constants values obtained by potentiometric titration from the purified sodium smectite with those obtained from single oxides (quartz and alpha-alumina), taking into account the surface heterogeneity and the complex nature of natural colloids. We investigate the uranium sorption onto purified Na-smectite assuming low, intermediate and high edge site surfaces which are estimated from specific surface area percentage. The sorption data is interpreted and modeled as a function of edge site surfaces. A relationship between uranium sorption and total site concentration was confirmed and explained through variation in estimated edge site surface value. The modeling study shows that, the convergence during DLM modeling is related to the best estimation of the edge site surface from the N(2

  2. Ternary complex formation at mineral/solution interfaces

    International Nuclear Information System (INIS)

    Leckie, J.O.

    1995-01-01

    Adsorption of trace concentrations of radionuclides and heavy metals from aqueous solution is dependent on pH, absorbent and adsorbate concentration, and speciation of the metal in solution. In particular, complexation of metal ions by organic and inorganic ligands can dramatically alter adsorption behavior compared to ligand-free systems. The presence of complexing ligands can cause the formation of ''metal like'' or ''ligand like'' ternary surface complexes depending on whether adsorption of the ternary complex increases or decreases with increasing pH, respectively. Examples of ternary surface complexes behaving ''metal like'' include uranyl-EDTA surface complexes on goethite, neptunyl-EDTA surface complexes on hematite and neptunyl-humic surface complexes on gibbsite. Examples of ''ligand like'' ternary surface complexes include uranyl-carbonato and neptunyl-carbonato surface complexes on iron oxides. The effects of complex solutions and multimineralic systems are discussed. (authors). 39 refs., 16 figs., 8 tabs

  3. Analysis of Samples Collected from the Surface of Interim Storage Canisters at Calvert Cliffs in June 2017: Revision 01.

    Energy Technology Data Exchange (ETDEWEB)

    Bryan, Charles R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Schindelholz, Eric John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-11-01

    In June 2017, dust and salt samples were collected from the surface of Spent Nuclear Fuel (SNF) dry storage canisters at the Calvert Cliffs Nuclear Power Plant. The samples were delivered to Sandia National laboratories for analysis. Two types of samples were collected: filter-backed Scotch-Brite TM pads were used to collect dry dust samples for characterization of salt and dust morphologies and distributions; and Saltsmart TM test strips were used to collect soluble salts for determining salt surface loadings per unit area. After collection, the samples were sealed into plastic sleeves for shipping. Condensation within the sleeves containing the Scotch-Brite TM samples remobilized the salts, rendering them ineffective for the intended purpose, and also led to mold growth, further compromising the samples; for these reasons, the samples were not analyzed. The SaltSmart TM samples were unaffected and were analyzed by ion chromatography for major anions and cations. The results of those analyses are presented here.

  4. Microplastics in Arctic polar waters: the first reported values of particles in surface and sub-surface samples

    Science.gov (United States)

    Lusher, Amy L.; Tirelli, Valentina; O’Connor, Ian; Officer, Rick

    2015-01-01

    Plastic, as a form of marine litter, is found in varying quantities and sizes around the globe from surface waters to deep-sea sediments. Identifying patterns of microplastic distribution will benefit an understanding of the scale of their potential effect on the environment and organisms. As sea ice extent is reducing in the Arctic, heightened shipping and fishing activity may increase marine pollution in the area. Microplastics may enter the region following ocean transport and local input, although baseline contamination measurements are still required. Here we present the first study of microplastics in Arctic waters, south and southwest of Svalbard, Norway. Microplastics were found in surface (top 16 cm) and sub-surface (6 m depth) samples using two independent techniques. Origins and pathways bringing microplastic to the Arctic remain unclear. Particle composition (95% fibres) suggests they may either result from the breakdown of larger items (transported over large distances by prevailing currents, or derived from local vessel activity), or input in sewage and wastewater from coastal areas. Concurrent observations of high zooplankton abundance suggest a high probability for marine biota to encounter microplastics and a potential for trophic interactions. Further research is required to understand the effects of microplastic-biota interaction within this productive environment. PMID:26446348

  5. Microplastics in Arctic polar waters: the first reported values of particles in surface and sub-surface samples

    Science.gov (United States)

    Lusher, Amy L.; Tirelli, Valentina; O'Connor, Ian; Officer, Rick

    2015-10-01

    Plastic, as a form of marine litter, is found in varying quantities and sizes around the globe from surface waters to deep-sea sediments. Identifying patterns of microplastic distribution will benefit an understanding of the scale of their potential effect on the environment and organisms. As sea ice extent is reducing in the Arctic, heightened shipping and fishing activity may increase marine pollution in the area. Microplastics may enter the region following ocean transport and local input, although baseline contamination measurements are still required. Here we present the first study of microplastics in Arctic waters, south and southwest of Svalbard, Norway. Microplastics were found in surface (top 16 cm) and sub-surface (6 m depth) samples using two independent techniques. Origins and pathways bringing microplastic to the Arctic remain unclear. Particle composition (95% fibres) suggests they may either result from the breakdown of larger items (transported over large distances by prevailing currents, or derived from local vessel activity), or input in sewage and wastewater from coastal areas. Concurrent observations of high zooplankton abundance suggest a high probability for marine biota to encounter microplastics and a potential for trophic interactions. Further research is required to understand the effects of microplastic-biota interaction within this productive environment.

  6. Surface complexation modelling applied to the sorption of nickel on silica

    International Nuclear Information System (INIS)

    Olin, M.

    1995-10-01

    The modelling based on a mechanistic approach, of a sorption experiment is presented in the report. The system chosen for experiments (nickel + silica) is modelled by using literature values for some parameters, the remainder being fitted by existing experimental results. All calculations are performed by HYDRAQL, a model planned especially for surface complexation modelling. Allmost all the calculations are made by using the Triple-Layer Model (TLM) approach, which appeared to be sufficiently flexible for the silica system. The report includes a short description of mechanistic sorption models, input data, experimental results and modelling results (mostly graphical presentations). (13 refs., 40 figs., 4 tabs.)

  7. Marked fatgraph complexes and surface automorphisms

    DEFF Research Database (Denmark)

    Kuno, Yusuke; Penner, Robert; Turaev, Vladimir

    2013-01-01

    Combinatorial aspects of the Torelli-Johnson-Morita theory of surface automorphisms are extended to certain subgroups of the mapping class groups. These subgroups are defined relative to a specified homomorphism from the fundamental group of the surface onto an arbitrary group $K$. For $K$ abelia...

  8. Reconstruction of freeform surfaces for metrology

    International Nuclear Information System (INIS)

    El-Hayek, N; Nouira, H; Anwer, N; Damak, M; Gibaru, O

    2014-01-01

    The application of freeform surfaces has increased since their complex shapes closely express a product's functional specifications and their machining is obtained with higher accuracy. In particular, optical surfaces exhibit enhanced performance especially when they take aspheric forms or more complex forms with multi-undulations. This study is mainly focused on the reconstruction of complex shapes such as freeform optical surfaces, and on the characterization of their form. The computer graphics community has proposed various algorithms for constructing a mesh based on the cloud of sample points. The mesh is a piecewise linear approximation of the surface and an interpolation of the point set. The mesh can further be processed for fitting parametric surfaces (Polyworks ® or Geomagic ® ). The metrology community investigates direct fitting approaches. If the surface mathematical model is given, fitting is a straight forward task. Nonetheless, if the surface model is unknown, fitting is only possible through the association of polynomial Spline parametric surfaces. In this paper, a comparative study carried out on methods proposed by the computer graphics community will be presented to elucidate the advantages of these approaches. We stress the importance of the pre-processing phase as well as the significance of initial conditions. We further emphasize the importance of the meshing phase by stating that a proper mesh has two major advantages. First, it organizes the initially unstructured point set and it provides an insight of orientation, neighbourhood and curvature, and infers information on both its geometry and topology. Second, it conveys a better segmentation of the space, leading to a correct patching and association of parametric surfaces

  9. Transmission X-ray scattering as a probe for complex liquid-surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Fukuto, Masafumi; Yang, Lin; Nykypanchuk, Dmytro; Kuzmenko, Ivan

    2016-01-28

    The need for functional materials calls for increasing complexity in self-assembly systems. As a result, the ability to probe both local structure and heterogeneities, such as phase-coexistence and domain morphologies, has become increasingly important to controlling self-assembly processes, including those at liquid surfaces. The traditional X-ray scattering methods for liquid surfaces, such as specular reflectivity and grazing-incidence diffraction, are not well suited to spatially resolving lateral heterogeneities due to large illuminated footprint. A possible alternative approach is to use scanning transmission X-ray scattering to simultaneously probe local intermolecular structures and heterogeneous domain morphologies on liquid surfaces. To test the feasibility of this approach, transmission small- and wide-angle X-ray scattering (TSAXS/TWAXS) studies of Langmuir films formed on water meniscus against a vertically immersed hydrophilic Si substrate were recently carried out. First-order diffraction rings were observed in TSAXS patterns from a monolayer of hexagonally packed gold nanoparticles and in TWAXS patterns from a monolayer of fluorinated fatty acids, both as a Langmuir monolayer on water meniscus and as a Langmuir–Blodgett monolayer on the substrate. The patterns taken at multiple spots have been analyzed to extract the shape of the meniscus surface and the ordered-monolayer coverage as a function of spot position. These results, together with continual improvement in the brightness and spot size of X-ray beams available at synchrotron facilities, support the possibility of using scanning-probe TSAXS/TWAXS to characterize heterogeneous structures at liquid surfaces.

  10. DFT study of benzyl alcohol/TiO2 interfacial surface complex: reaction pathway and mechanism of visible light absorption.

    Science.gov (United States)

    Zhao, Lei; Gu, Feng Long; Kim, Minjae; Miao, Maosheng; Zhang, Rui-Qin

    2017-09-24

    We propose a new pathway for the adsorption of benzyl alcohol on the surface of TiO 2 and the formation of interfacial surface complex (ISC). The reaction free energies and reaction kinetics were thoroughly investigated by density functional calculations. The TiO 2 surfaces were modeled by clusters consisting of 4 Ti atoms and 18 O atoms passivated by H, OH group and H 2 O molecules. Compared with solid-state calculations utilizing the periodicity of the materials, such cluster modeling allows inclusion of the high-order correlation effects that seem to be essential for the adsorption of organic molecules onto solid surfaces. The effects of both acidity and solvation are included in our calculations, which demonstrate that the new pathway is competitive with a previous pathway. The electronic structure calculations based on the relaxed ISC structures reveal that the chemisorption of benzyl alcohol on the TiO 2 surface greatly alters the nature of the frontier molecular orbitals. The resulted reduced energy gap in ISC matches the energy of visible light, showing how the adsorption of benzyl alcohol sensitizes the TiO 2 surface. Graphical Abstract The chemisorption of benzyl alcohol on TiO 2 surface greatly alters the nature of the frontier molecular orbitals and the formed interfacial surface complex can be sensitized by visible light.

  11. Occurrence of pesticides and contaminants of emerging concern in surface waters: Influence of surrounding land use and evaluation of sampling methods

    Science.gov (United States)

    Biologically active compounds originating from agricultural, residential, and industrial sources have been detected in surface waters, which have invoked concern of their potential ecological and human health effects. Automated and grab surface water samples, passive water samples - Polar Organic Co...

  12. Synthesis and application of magnetic molecularly imprinted polymers in sample preparation.

    Science.gov (United States)

    Huang, Shuyao; Xu, Jianqiao; Zheng, Jiating; Zhu, Fang; Xie, Lijun; Ouyang, Gangfeng

    2018-04-12

    Magnetic molecularly imprinted polymers (MMIPs) have superior advantages in sample pretreatment because of their high selectivity for target analytes and the fast and easy isolation from samples. To meet the demand of both good magnetic property and good extraction performance, MMIPs with various structures, from traditional core-shell structures to novel composite structures with a larger specific surface area and more accessible binding sites, are fabricated by different preparation technologies. Moreover, as the molecularly imprinted polymer (MIP) layers determine the affinity, selectivity, and saturated adsorption amount of MMIPs, the development and innovation of the MIP layer are attracting attention and are reviewed here. Many studies that used MMIPs as sorbents in dispersive solid-phase extraction of complex samples, including environmental, food, and biofluid samples, are summarized. Graphical abstract The application of magnetic molecularly imprinted polymers (MIPs) in the sample preparation procedure improves the analytical performances for complex samples. MITs molecular imprinting technologies.

  13. The determination of arsenic, selenium, antimony, and tin in complex environmental samples by hydride generation AAS

    International Nuclear Information System (INIS)

    Johnson, D.; Beach, C.

    1990-01-01

    Hydride generation techniques are used routinely for the determination of As, Se, Sb and Sn in water samples. Advantages include high sensitivity, simplicity, and relative freedom from interferences. Continuous-flow designs greatly reduce analysis time as well as improve precision and allow for automation. However the accurate analysis of more complex environmental samples such as industrial sludges, soil samples, river sediments, and fly ash remains difficult. Numerous contributing factors influence the accuracy of the hydride technique. Sample digestion methods and sample preparation procedures are of critical importance. The digestion must adequately solubilize the elements of interest without loss by volatilization. Sample preparation procedures that guarantee the proper analyte oxidation state and eliminate the nitric acid and inter-element interferences are needed. In this study, difficult environmental samples were analyzed for As, Se, Sb, and Sn by continuous flow hydride generation. Sample preparation methods were optimized to eliminate interferences. The results of spike recovery studies will be presented. Data from the analysis of the same samples by graphite furnace AAS will be presented for comparison of accuracy, precision, and analysis time

  14. Characterization of thermomechanical damage on tungsten surfaces during long-duration plasma transients

    Energy Technology Data Exchange (ETDEWEB)

    Rivera, David, E-mail: david.rivera.ucla@gmail.com; Crosby, Tamer; Sheng, Andrew; Ghoniem, Nasr M.

    2014-12-15

    A new experimental facility constructed at UCLA for the simulation of high heat flux effects on plasma-facing materials is described. The High Energy Flux Test Facility (HEFTY) is equipped with a Praxair model SG-100 plasma gun, which is nominally rated at 80 kW of continuous operation, of which approximately 30 kW reaches the target due to thermal losses. The gun is used to impart high intermittent heat flux to metal samples mounted within a cylindrical chamber. The system is capable of delivering an instantaneous heat flux in the range of 30–300 MW/m{sup 2}, depending on sample proximity to the gun. The duration of the plasma heat flux is in the range of 1–1000 s, making it ideal for studies of mild plasma transients of relatively long duration. Tungsten and tungsten-copper alloy metal samples are tested in these transient heat flux conditions, and the surface is characterized for damage evaluation using optical, SEM, XRD, and micro-fabrication techniques. Results from a Finite Element (FE) thermo-elastoplasticity model indicate that during the heat-up phase of a plasma transient pulse, the majority of the sample surface is under compressive stresses leading to plastic deformation of the surface. Upon sample cooling, the recovered elastic strain of cooler parts of the sample exceeds that from parts that deformed plastically, resulting in a tensile surface self-stress (residual surface stress). The intensity of the residual tensile surface stress is experimentally correlated with the onset of complex surface fracture morphology on the tungsten surface, and extending below the surface region. Micro-compression mechanical tests of W micro-pillars show that the material has significant plasticity, failing by a “barreling” mode before plasma exposure, and by normal dislocation slip and localized shear after plasma exposure. Ongoing modeling of the complex thermo-fracture process, coupled with elasto-plasticity is based on a phase field approach for distributed

  15. Atomic force microscopy imaging of macromolecular complexes.

    Science.gov (United States)

    Santos, Sergio; Billingsley, Daniel; Thomson, Neil

    2013-01-01

    This chapter reviews amplitude modulation (AM) AFM in air and its applications to high-resolution imaging and interpretation of macromolecular complexes. We discuss single DNA molecular imaging and DNA-protein interactions, such as those with topoisomerases and RNA polymerase. We show how relative humidity can have a major influence on resolution and contrast and how it can also affect conformational switching of supercoiled DNA. Four regimes of AFM tip-sample interaction in air are defined and described, and relate to water perturbation and/or intermittent mechanical contact of the tip with either the molecular sample or the surface. Precise control and understanding of the AFM operational parameters is shown to allow the user to switch between these different regimes: an interpretation of the origins of topographical contrast is given for each regime. Perpetual water contact is shown to lead to a high-resolution mode of operation, which we term SASS (small amplitude small set-point) imaging, and which maximizes resolution while greatly decreasing tip and sample wear and any noise due to perturbation of the surface water. Thus, this chapter provides sufficient information to reliably control the AFM in the AM AFM mode of operation in order to image both heterogeneous samples and single macromolecules including complexes, with high resolution and with reproducibility. A brief introduction to AFM, its versatility and applications to biology is also given while providing references to key work and general reviews in the field.

  16. Surface Complexation Modeling of Fluoride Adsorption by Soil and the Role of Dissolved Aluminum on Adsorption

    Science.gov (United States)

    Padhi, S.; Tokunaga, T.

    2017-12-01

    Adsorption of fluoride (F) on soil can control the mobility of F and subsequent contamination of groundwater. Hence, accurate evaluation of adsorption equilibrium is a prerequisite for understanding transport and fate of F in the subsurface. While there have been studies for the adsorption behavior of F with respect to single mineral constituents based on surface complexation models (SCM), F adsorption to natural soil in the presence of complexing agents needs much investigation. We evaluated the adsorption processes of F on a natural granitic soil from Tsukuba, Japan, as a function of initial F concentration, ionic strength, and initial pH. A SCM was developed to model F adsorption behavior. Four possible surface complexation reactions were postulated with and without including dissolved aluminum (Al) and Al-F complex sorption. Decrease in F adsorption with the increase in initial pH was observed in between the initial pH range of 4 to 9, and a decrease in the rate of the reduction of adsorbed F with respect to the increase in the initial pH was observed in the initial pH range of 5 to 7. Ionic strength variation in the range of 0 to 100mM had insignificant effect on F removal. Changes in solution pH were observed by comparing the solution before and after F adsorption experiments. At acidic pH, the solution pH increased, whereas at alkaline pH, the solution pH decreased after equilibrium. The SCM including dissolved Al and the adsorption of Al-F complex can simulate the experimental results quite successfully. Also, including dissolved Al and the adsorption of Al-F complex to the model explained the change in solution pH after F adsorption.

  17. Data Validation Package April 2016 Groundwater and Surface Water Sampling at the Monticello, Utah, Disposal and Processing Sites August 2016

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Jason [USDOE Office of Legacy Management, Washington, DC (United States); Smith, Fred [Navarro Research and Engineering, Oak Ridge, TN (United States)

    2016-08-01

    This semiannual event includes sampling groundwater and surface water at the Monticello Disposal and Processing Sites. Sampling and analyses were conducted as specified in the Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated) and Program Directive MNT-2016-01. Complete sample sets were collected from 42 of 48 planned locations (9 of 9 former mill site wells, 13 of 13 downgradient wells, 7 of 9 downgradient permeable reactive barrier wells, 4 of 7 seeps and wetlands, and 9 of 10 surface water locations). Planned monitoring locations are shown in Attachment 1, Sampling and Analysis Work Order. Locations R6-M3, SW00-01, Seep 1, Seep 2, and Seep 5 were not sampled due to insufficient water availability. A partial sample was collected at location R4-M3 due to insufficient water. All samples from the permeable reactive barrier wells were filtered as specified in the program directive. Duplicate samples were collected from surface water location Sorenson and from monitoring wells 92-07 and RlO-Ml. Water levels were measured at all sampled wells and an additional set of wells. See Attachment2, Trip Report for additional details. The contaminants of concern (COCs) for the Monticello sites are arsenic, manganese, molybdenum, nitrate+ nitrite as nitrogen (nitrate+ nitrite as N), selenium, uranium, and vanadium. Locations with COCs that exceeded remediation goals are listed in Table 1 and Table 2. Time-concentration graphs of the COCs for all groundwater and surface water locations are included in Attachment 3, Data Presentation. An assessment of anomalous data is included in Attachment 4.

  18. A nanosilver-based spectrophotometric method for determination of malachite green in surface water samples.

    Science.gov (United States)

    Sahraei, R; Farmany, A; Mortazavi, S S; Noorizadeh, H

    2013-07-01

    A new spectrophotometric method is reported for the determination of nanomolar level of malachite green in surface water samples. The method is based on the catalytic effect of silver nanoparticles on the oxidation of malachite green by hexacyanoferrate (III) in acetate-acetic acid medium. The absorbance is measured at 610 nm with the fixed-time method. Under the optimum conditions, the linear range was 8.0 × 10(-9)-2.0 × 10(-7) mol L(-1) malachite green with a correlation coefficient of 0.996. The limit of detection (S/N = 3) was 2.0 × 10(-9) mol L(-1). Relative standard deviation for ten replicate determinations of 1.0 × 10(-8) mol L(-1) malachite green was 1.86%. The method is featured with good accuracy and reproducibility for malachite green determination in surface water samples without any pre-concentration and separation step.

  19. Trajectory Optimization of Spray Painting Robot for Complex Curved Surface Based on Exponential Mean Bézier Method

    Directory of Open Access Journals (Sweden)

    Wei Chen

    2017-01-01

    Full Text Available Automated tool trajectory planning for spray painting robots is still a challenging problem, especially for a large complex curved surface. This paper presents a new method of trajectory optimization for spray painting robot based on exponential mean Bézier method. The definition and the three theorems of exponential mean Bézier curves are discussed. Then a spatial painting path generation method based on exponential mean Bézier curves is developed. A new simple algorithm for trajectory optimization on complex curved surfaces is introduced. A golden section method is adopted to calculate the values. The experimental results illustrate that the exponential mean Bézier curves enhanced flexibility of the path planning, and the trajectory optimization algorithm achieved satisfactory performance. This method can also be extended to other applications.

  20. Data Validation Package October 2016 Groundwater and Surface Water Sampling at the Monticello, Utah, Disposal and Processing Sites January 2017

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Jason [USDOE Office of Legacy Management (LM), Washington, DC (United States); Smith, Fred [Navarro Research and Engineering, Inc., Grand Junction, CO (United States)

    2017-02-01

    Sampling Period: October 10–12, 2016. This semiannual event includes sampling groundwater and surface water at the Monticello Disposal and Processing Sites. Sampling and analyses were conducted as specified in the Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated) and Program Directive MNT-2016-01. Samples were collected from 54 of 64 planned locations (16 of 17 former mill site wells, 15 of 18 downgradient wells, 7 of 9 downgradient permeable reactive barrier wells, 3 of 3 bedrock wells, 4 of 7 seeps and wetlands, and 9 of 10 surface water locations).

  1. Antibiotic resistance patterns of Escherichia coli strains isolated from surface water and groundwater samples in a pig production area

    Directory of Open Access Journals (Sweden)

    Roger Neto Schneider

    2009-09-01

    Full Text Available The use of antibiotics, so excessive and indiscriminate in intensive animal production, has triggered an increase in the number of resistant microorganisms which can be transported to aquatic environments. The aim of this study was to determine the profile of the antimicrobial resistance of samples of Escherichia coli isolated from groundwater and surface water in a region of pig breeding. Through the test of antimicrobial susceptibility, we analyzed 205 strains of E. coli. A high rate of resistance to cefaclor was observed, both in surface water (51.9% and groundwater (62.9%, while all samples were sensitive to amikacin. The percentages of multi-resistant samples were 25.96% and 26.73% in surface water and groundwater, respectively, while 19.23% and 13.86% were sensitive to all antibiotics tested. It was determined that the rate of multiple antibiotic resistance (MAR was 0.164 for surface water and 0.184 for groundwater. No significant differences were found in the profile of the antimicrobial resistance in strains of E. coli isolated in surface water and groundwater, but the index MAR calculated in certain points of groundwater may offer a potential risk of transmission of resistant genes.

  2. Data Validation Package June 2016 Groundwater and Surface Water Sampling at the Old and New Rifle, Colorado, Processing Sites September 2016

    Energy Technology Data Exchange (ETDEWEB)

    Bush, Richard [USDOE Office of Legacy Management (LM), Washington, DC (United States); Lemke, Peter [Navarro Research and Engineering, Inc., Oak Ridge, TN (United States)

    2016-10-17

    Sampling Period: June 14–17 and July 7, 2016. Water samples were collected from 36 locations at New Rifle and Old Rifle, Colorado, Disposal/Processing Sites. Planned monitoring locations are shown in Attachment 1, Sampling and Analysis Work Order. Duplicate samples were collected from New Rifle locations 0216 and 0855, and Old Rifle location 0655. One equipment blank was collected after decontamination of non-dedicated equipment used to collect one surface water sample. See Attachment 2, Trip Report for additional details. Sampling and analyses were conducted as specified in the Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated, http://energy.gov/lm/downloads/sampling-and- analysis-plan-us-department-energy-office-legacy-management-sites). New Rifle Site Samples were collected at the New Rifle site from 16 monitoring wells and 7 surface locations in compliance with the December 2008 Groundwater Compliance Action Plan [GCAP] for the New Rifle, Colorado, Processing Site (LMS/RFN/S01920). Monitoring well 0216 could not be sampled in June because it was surrounded by standing water due to the high river stage from spring runoff, it was later sampled in July. Monitoring well 0635 and surface location 0322 could not be sampled because access through the elk fence along Interstate 70 has not been completed at this time. Old Rifle Site Samples were collected at the Old Rifle site from eight monitoring wells and five surface locations in compliance with the December 2001 Ground Water Compliance Action Plan for the Old Rifle, Colorado, UMTRA Project Site (GJ0-2000-177-TAR).

  3. Surface complexation modeling of Cd(II) sorption to montmorillonite, bacteria, and their composite

    Science.gov (United States)

    Wang, Ning; Du, Huihui; Huang, Qiaoyun; Cai, Peng; Rong, Xingmin; Feng, Xionghan; Chen, Wenli

    2016-10-01

    Surface complexation modeling (SCM) has emerged as a powerful tool for simulating heavy metal adsorption processes on the surface of soil solid components under different geochemical conditions. The component additivity (CA) approach is one of the strategies that have been widely used in multicomponent systems. In this study, potentiometric titration, isothermal adsorption, zeta potential measurement, and extended X-ray absorption fine-structure (EXAFS) spectra analysis were conducted to investigate Cd adsorption on 2 : 1 clay mineral montmorillonite, on Gram-positive bacteria Bacillus subtilis, and their mineral-organic composite. We developed constant capacitance models of Cd adsorption on montmorillonite, bacterial cells, and mineral-organic composite. The adsorption behavior of Cd on the surface of the composite was well explained by CA-SCM. Some deviations were observed from the model simulations at pH SCM closely coincided with the estimated value of EXAFS at pH 6. The model could be useful for the prediction of heavy metal distribution at the interface of multicomponents and their risk evaluation in soils and associated environments.

  4. Surface complexation modeling of uranium (Vi) retained onto zirconium diphosphate in presence of organic acids

    International Nuclear Information System (INIS)

    Almazan T, M. G.; Garcia G, N.; Ordonez R, E.

    2010-10-01

    In the field of nuclear waste disposal, predictions regarding radionuclide migration through the geosphere, have to take account the effects of natural organic matter. This work presents an investigation of interaction mechanisms between U (Vi) and zirconium diphosphate (ZrP 2 O 7 ) in presence of organic acids (citric acid and oxalic acid). The retention reactions were previously examined using a batch equilibrium method. Previous results showed that U (Vi) retention was more efficient when citric acid or oxalic acid was present in solid surface at lower ph values. In order to determine the retention equilibria for both systems studied, a phosphorescence spectroscopy study was carried out. The experimental data were then fitted using the Constant Capacitance Model included in the FITEQL4.0 code. Previous results concerning surface characterization of ZrP 2 O 7 (surface sites density and surface acidity constants) were used to constraint the modeling. The best fit for U (Vi)/citric acid/ZrP 2 O 7 and U (Vi)/oxalic acid/ZrP 2 O 7 systems considered the formation of a ternary surface complex. (Author)

  5. Removal of radioactive cesium from surface soils solidified using polyion complex. Rapid communication for decontamination test at Iitate-mura in Fukushima Prefecture

    International Nuclear Information System (INIS)

    Naganawa, Hirochika; Yanase, Nobuyuki; Mitamura, Hisayoshi; Nagano, Tetsushi; Yoshida, Zenko; Kumazawa, Noriyuki; Saitoh, Hiroshi; Kashima, Kaoru; Fukuda, Tatsuya; Tanaka, Shun-ichi

    2011-01-01

    We tried the decontamination of surface soils for three types of agricultural land at Nagadoro district of Iitate-mura (village) in Fukushima Prefecture, which is highly contaminated by deposits of radionuclides from the plume released from the Fukushima Daiichi nuclear power plant. The decontamination method consisted of the peeling of surface soils solidified using a polyion complex, which was formed from a salt solution of polycations and polyanions. Two types of polyion complex solution were applied to an upland field in a plastic greenhouse, a pasture, and a paddy field. The decontamination efficiency of the surface soils reached 90%, and dust release was effectively suppressed during the removal of surface soils. (author)

  6. Cyclophilin B mediates cyclosporin A incorporation in human blood T-lymphocytes through the specific binding of complexed drug to the cell surface.

    Science.gov (United States)

    Allain, F; Denys, A; Spik, G

    1996-07-15

    Cyclophilin B (CyPB) is a cyclosporin A (CsA)-binding protein located within intracellular vesicles and released in biological fluids. We recently reported the specific binding of this protein to T-cell surface receptor which is internalized even in the presence of CsA. These results suggest that CyPB might target the drug to lymphocytes and consequently modify its activity. To verify this hypothesis, we have first investigated the binding capacity and internalization of the CsA-CyPB complex in human peripheral blood T-lymphocytes and secondly compared the inhibitory effect of both free and CyPB-complexed CsA on the CD3-induced activation and proliferation of T-cells. Here, we present evidence that both the CsA-CyPB complex and free CyPB bind to the T-lymphocyte surface, with similar values of Kd and number of sites. At 37 degrees C, the complex is internalized but, in contrast to the protein, the drug is accumulated within the cell. Moreover, CyPB receptors are internalized together with the ligand and rapidly recycled to the cell surface. Finally, we demonstrate that CyPB-complexed CsA remains as efficient as uncomplexed CsA and that CyPB enhances the immunosuppressive activity of the drug. Taken together, our results support the hypothesis that surface CyPB receptors may be related to the selective and variable action of CsA, through specific binding and targeting of the CyPB-CsA complex to peripheral blood T-lymphocytes.

  7. Top-Down Proteomics and Direct Surface Sampling of Neonatal Dried Blood Spots: Diagnosis of Unknown Hemoglobin Variants

    Science.gov (United States)

    Edwards, Rebecca L.; Griffiths, Paul; Bunch, Josephine; Cooper, Helen J.

    2012-11-01

    We have previously shown that liquid microjunction surface sampling of dried blood spots coupled with high resolution top-down mass spectrometry may be used for screening of common hemoglobin variants HbS, HbC, and HbD. In order to test the robustness of the approach, we have applied the approach to unknown hemoglobin variants. Six neonatal dried blood spot samples that had been identified as variants, but which could not be diagnosed by current screening methods, were analyzed by direct surface sampling top-down mass spectrometry. Both collision-induced dissociation and electron transfer dissociation mass spectrometry were employed. Four of the samples were identified as β-chain variants: two were heterozygous Hb D-Iran, one was heterozygous Hb Headington, and one was heterozygous Hb J-Baltimore. The fifth sample was identified as the α-chain variant heterozygous Hb Phnom Penh. Analysis of the sixth sample suggested that it did not in fact contain a variant. Adoption of the approach in the clinic would require speed in both data collection and interpretation. To address that issue, we have compared manual data analysis with freely available data analysis software (ProsightPTM). The results demonstrate the power of top-down proteomics for hemoglobin variant analysis in newborn samples.

  8. Effects of striated laser tracks on thermal fatigue resistance of cast iron samples with biomimetic non-smooth surface

    International Nuclear Information System (INIS)

    Tong, Xin; Zhou, Hong; Liu, Min; Dai, Ming-jiang

    2011-01-01

    In order to enhance the thermal fatigue resistance of cast iron materials, the samples with biomimetic non-smooth surface were processed by Neodymium:Yttrium Aluminum Garnet (Nd:YAG) laser. With self-controlled thermal fatigue test method, the thermal fatigue resistance of smooth and non-smooth samples was investigated. The effects of striated laser tracks on thermal fatigue resistance were also studied. The results indicated that biomimetic non-smooth surface was benefit for improving thermal fatigue resistance of cast iron sample. The striated non-smooth units formed by laser tracks which were vertical with thermal cracks had the best propagation resistance. The mechanisms behind these influences were discussed, and some schematic drawings were introduced to describe them.

  9. Wipe sampling for nicotine as a marker of thirdhand tobacco smoke contamination on surfaces in homes, cars, and hotels.

    Science.gov (United States)

    Quintana, Penelope J E; Matt, Georg E; Chatfield, Dale; Zakarian, Joy M; Fortmann, Addie L; Hoh, Eunha

    2013-09-01

    Secondhand smoke contains a mixture of pollutants that can persist in air, dust, and on surfaces for months or longer. This persistent residue is known as thirdhand smoke (THS). Here, we detail a simple method of wipe sampling for nicotine as a marker of accumulated THS on surfaces. We analyzed findings from 5 real-world studies to investigate the performance of wipe sampling for nicotine on surfaces in homes, cars, and hotels in relation to smoking behavior and smoking restrictions. The intraclass correlation coefficient for side-by-side samples was 0.91 (95% CI: 0.87-0.94). Wipe sampling for nicotine reliably distinguished between private homes, private cars, rental cars, and hotels with and without smoking bans and was significantly positively correlated with other measures of tobacco smoke contamination such as air and dust nicotine. The sensitivity and specificity of possible threshold values (0.1, 1, and 10 μg/m(2)) were evaluated for distinguishing between nonsmoking and smoking environments. Sensitivity was highest at a threshold of 0.1 μg/m(2), with 74%-100% of smoker environments showing nicotine levels above threshold. Specificity was highest at a threshold of 10 μg/m(2), with 81%-100% of nonsmoker environments showing nicotine levels below threshold. The optimal threshold will depend on the desired balance of sensitivity and specificity and on the types of smoking and nonsmoking environments. Surface wipe sampling for nicotine is a reliable, valid, and relatively simple collection method to quantify THS contamination on surfaces across a wide range of field settings and to distinguish between nonsmoking and smoking environments.

  10. Etching of Niobium Sample Placed on Superconducting Radio Frequency Cavity Surface in Ar/CL2 Plasma

    International Nuclear Information System (INIS)

    Upadhyay, Janardan; Phillips, Larry; Valente, Anne-Marie

    2011-01-01

    Plasma based surface modification is a promising alternative to wet etching of superconducting radio frequency (SRF) cavities. It has been proven with flat samples that the bulk Niobium (Nb) removal rate and the surface roughness after the plasma etchings are equal to or better than wet etching processes. To optimize the plasma parameters, we are using a single cell cavity with 20 sample holders symmetrically distributed over the cell. These holders serve the purpose of diagnostic ports for the measurement of the plasma parameters and for the holding of the Nb sample to be etched. The plasma properties at RF (100 MHz) and MW (2.45 GHz) frequencies are being measured with the help of electrical and optical probes at different pressures and RF power levels inside of this cavity. The niobium coupons placed on several holders around the cell are being etched simultaneously. The etching results will be presented at this conference.

  11. Etching of Niobium Sample Placed on Superconducting Radio Frequency Cavity Surface in Ar/CL2 Plasma

    Energy Technology Data Exchange (ETDEWEB)

    Janardan Upadhyay, Larry Phillips, Anne-Marie Valente

    2011-09-01

    Plasma based surface modification is a promising alternative to wet etching of superconducting radio frequency (SRF) cavities. It has been proven with flat samples that the bulk Niobium (Nb) removal rate and the surface roughness after the plasma etchings are equal to or better than wet etching processes. To optimize the plasma parameters, we are using a single cell cavity with 20 sample holders symmetrically distributed over the cell. These holders serve the purpose of diagnostic ports for the measurement of the plasma parameters and for the holding of the Nb sample to be etched. The plasma properties at RF (100 MHz) and MW (2.45 GHz) frequencies are being measured with the help of electrical and optical probes at different pressures and RF power levels inside of this cavity. The niobium coupons placed on several holders around the cell are being etched simultaneously. The etching results will be presented at this conference.

  12. Adaptive maximal poisson-disk sampling on surfaces

    KAUST Repository

    Yan, Dongming; Wonka, Peter

    2012-01-01

    In this paper, we study the generation of maximal Poisson-disk sets with varying radii on surfaces. Based on the concepts of power diagram and regular triangulation, we present a geometric analysis of gaps in such disk sets on surfaces, which

  13. Automated Liquid Microjunction Surface Sampling-HPLC-MS/MS Analysis of Drugs and Metabolites in Whole-Body Thin Tissue Sections

    Energy Technology Data Exchange (ETDEWEB)

    Kertesz, Vilmos [ORNL; Van Berkel, Gary J [ORNL

    2013-01-01

    A fully automated liquid extraction-based surface sampling system utilizing a commercially available autosampler coupled to high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) detection is reported. Discrete spots selected for droplet-based sampling and automated sample queue generation for both the autosampler and MS were enabled by using in-house developed software. In addition, co-registration of spatially resolved sampling position and HPLC-MS information to generate heatmaps of compounds monitored for subsequent data analysis was also available in the software. The system was evaluated with whole-body thin tissue sections from propranolol dosed rat. The hands-free operation of the system was demonstrated by creating heatmaps of the parent drug and its hydroxypropranolol glucuronide metabolites with 1 mm resolution in the areas of interest. The sample throughput was approximately 5 min/sample defined by the time needed for chromatographic separation. The spatial distributions of both the drug and its metabolites were consistent with previous studies employing other liquid extraction-based surface sampling methodologies.

  14. DESIGNING OF DEVELOPED SURFACES OF COMPLEX PARTS

    Directory of Open Access Journals (Sweden)

    S. S. Tyshchenko

    2017-04-01

    Full Text Available Purpose. The paper focuses on ensuring the rational choice of parameters of the mating surfaces of parts when designing process equipment based on the methods of artificial intelligence. Methodology. The paper considers the geometric model of a ruled developed surface, the conditions of existence of such a surface and provides a generalized algorithm for surface plotting regardless of the type of the working element or the machine-building product. One of the most common technical surfaces are the ruled ones, among which a special position is occupied by developed surfaces (thanks to their differential-parametric properties: surface tangent plane is n contact along the rectilinear generator and does not change its position in space when changing the point of contact; surfaces can be produced by bending sheet metal. These provisions enable a product manufacturer to save significant material and energy means, therefore, the development of geometric models of such surfaces is an important task. Findings. We analyzed the geometrical model of the developed surface which is incident to two guides. Experimental studies have shown the applicationprospectivity of semi-digger moldboards on moldboard plows, particularly on the double-deck ones. Taking into account the operating speed of the plow 2.8 m/s, the plant residues plowing percentage for plow with semi-digger moldboards is 98.9%, and with the digger ones – 96.1%. Originality. According to results: 1 the approaches to solving the problem of recognition of wear conditions of the tested interface, depicted by its conceptual model, were elaborated; 2 the corresponding algorithms of the computational procedures were built; 3 the mathematical model that determines the effect of the parameters of the contacting surfaces on their performance properties – linear wear rate during the normal wear and tear was developed; 4 for this model the theoretical prerequisite of use for the random mating study were

  15. Beam-hardening correction by a surface fitting and phase classification by a least square support vector machine approach for tomography images of geological samples

    Science.gov (United States)

    Khan, F.; Enzmann, F.; Kersten, M.

    2015-12-01

    In X-ray computed microtomography (μXCT) image processing is the most important operation prior to image analysis. Such processing mainly involves artefact reduction and image segmentation. We propose a new two-stage post-reconstruction procedure of an image of a geological rock core obtained by polychromatic cone-beam μXCT technology. In the first stage, the beam-hardening (BH) is removed applying a best-fit quadratic surface algorithm to a given image data set (reconstructed slice), which minimizes the BH offsets of the attenuation data points from that surface. The final BH-corrected image is extracted from the residual data, or the difference between the surface elevation values and the original grey-scale values. For the second stage, we propose using a least square support vector machine (a non-linear classifier algorithm) to segment the BH-corrected data as a pixel-based multi-classification task. A combination of the two approaches was used to classify a complex multi-mineral rock sample. The Matlab code for this approach is provided in the Appendix. A minor drawback is that the proposed segmentation algorithm may become computationally demanding in the case of a high dimensional training data set.

  16. Influence of the radial spacing between cathodes on the surface composition of iron samples sintered by hollow cathode electric discharge

    Directory of Open Access Journals (Sweden)

    Brunatto S.F.

    2001-01-01

    Full Text Available The present work reports an investigation of the influence of the radial spacing between cathodes on the iron sintering process by hollow cathode electrical discharge, with surface enrichment of the alloying elements Cr and Ni. Pressed cylindrical samples of 9.5 mm diameter and density of 7.0 ± 0.1 g/cm³ were prepared by compaction of Ancorsteel 1000C iron powder. These samples, constituting the central cathode, were positioned concentrically in the interior of an external cathode machined from a tube of stainless steel AISI 310 (containing: 25% Cr, 16% Ni, 1.5% Mn, 1.5% Si, 0.03% C and the remainder Fe. Sintering was done at 1150 °C, for 120 min, utilizing radial spacings between the central and hollow cathodes of 3, 6 and 9 mm and a gas mixture of 80% Ar and 20% H2, with a flow rate of 5 cm³/s at a pressure of 3 Torr. The electric discharge was generated using a pulsed voltage power source, with a period of 200 mus. The radial spacing had only a slight influence on the quantity of atoms of alloying elements deposited and diffused on the surface of the sample. Analysis with a microprobe showed the presence of chrome (up to 4.0% and nickel (up to 3.0%, in at. % at the surface of the samples. This surface enrichment can be attributed to the mechanism of sputtering of the metallic atoms present in the external cathode, with the deposition of these elements on the sample surface and consequent diffusion within the sample.

  17. A surface complexation model of YREE sorption on Ulva lactuca in 0.05-5.0 M NaCl solutions

    Science.gov (United States)

    Zoll, Alison M.; Schijf, Johan

    2012-11-01

    We present distribution coefficients, log iKS, for the sorption of yttrium and the rare earth elements (YREEs) on BCR-279, a dehydrated tissue homogenate of a marine macroalga, Ulva lactuca, resembling materials featured in chemical engineering studies aimed at designing renewable biosorbents. Sorption experiments were conducted in NaCl solutions of different ionic strength (0.05, 0.5, and 5.0 M) at T = 25 °C over the pH range 2.7-8.5. Distribution coefficients based on separation of the dissolved and particulate phase by conventional filtration (3 kDa) using an existing pH-dependent model. Colloid-corrected values were renormalized to free-cation concentrations by accounting for YREE hydrolysis and chloride complexation. At each ionic strength, the pH dependence of the renormalized values is accurately described with a non-electrostatic surface complexation model (SCM) that incorporates YREE binding to three monoprotic functional groups, previously characterized by alkalimetric titration, as well as binding of YREE-hydroxide complexes (MOH2+) to the least acidic one (pKa ∼ 9.5). In non-linear regressions of the distribution coefficients as a function of pH, each pKa was fixed at its reported value, while stability constants of the four YREE surface complexes were used as adjustable parameters. Data for a single fresh U. lactuca specimen in 0.5 M NaCl show generally the same pH-dependent behavior but a lower degree of sorption and were excluded from the regressions. Good linear free-energy relations (LFERs) between stability constants of the YREE-acetate and YREE-hydroxide solution complex and surface complexes with the first and third functional group, respectively, support their prior tentative identifications as carboxyl and phenol. A similar confirmation for the second group is precluded by insufficient knowledge of the stability of YREE-phosphate complexes and a perceived lack of YREE binding in 0.05 M NaCl; this issue awaits further study. The results

  18. Optical surfacing via linear ion source

    International Nuclear Information System (INIS)

    Wu, Lixiang; Wei, Chaoyang; Shao, Jianda

    2017-01-01

    We present a concept of surface decomposition extended from double Fourier series to nonnegative sinusoidal wave surfaces, on the basis of which linear ion sources apply to the ultra-precision fabrication of complex surfaces and diffractive optics. The modified Fourier series, or sinusoidal wave surfaces, build a relationship between the fabrication process of optical surfaces and the surface characterization based on power spectral density (PSD) analysis. Also, we demonstrate that the one-dimensional scanning of linear ion source is applicable to the removal of mid-spatial frequency (MSF) errors caused by small-tool polishing in raster scan mode as well as the fabrication of beam sampling grating of high diffractive uniformity without a post-processing procedure. The simulation results show that optical fabrication with linear ion source is feasible and even of higher output efficiency compared with the conventional approach.

  19. Optical surfacing via linear ion source

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Lixiang, E-mail: wulx@hdu.edu.cn [Key Lab of RF Circuits and Systems of Ministry of Education, Zhejiang Provincial Key Lab of LSI Design, Microelectronics CAD Center, College of Electronics and Information, Hangzhou Dianzi University, Hangzhou (China); Wei, Chaoyang, E-mail: siomwei@siom.ac.cn [Key Laboratory of Materials for High Power Laser, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Shao, Jianda, E-mail: jdshao@siom.ac.cn [Key Laboratory of Materials for High Power Laser, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

    2017-04-15

    We present a concept of surface decomposition extended from double Fourier series to nonnegative sinusoidal wave surfaces, on the basis of which linear ion sources apply to the ultra-precision fabrication of complex surfaces and diffractive optics. The modified Fourier series, or sinusoidal wave surfaces, build a relationship between the fabrication process of optical surfaces and the surface characterization based on power spectral density (PSD) analysis. Also, we demonstrate that the one-dimensional scanning of linear ion source is applicable to the removal of mid-spatial frequency (MSF) errors caused by small-tool polishing in raster scan mode as well as the fabrication of beam sampling grating of high diffractive uniformity without a post-processing procedure. The simulation results show that optical fabrication with linear ion source is feasible and even of higher output efficiency compared with the conventional approach.

  20. Differential efficiencies of dip-net sampling versus sampling surface-floating pupal exuviae in a biodiversity survey of Chironomidae

    Directory of Open Access Journals (Sweden)

    Leonard Charles Ferrington Jr

    2014-12-01

    Full Text Available Relative efficiencies of standard dip-net sampling (SDN versus collections of surface-floating pupal exuviae (SFPE were determined for detecting Chironomidae at catchment and site scales and at subfamily/tribe-, genus- and species-levels based on simultaneous, equal-effort sampling on a monthly basis for one year during a biodiversity assessment of Bear Run Nature Reserve. Results showed SFPE was more efficient than SDN at catchment scales for detecting both genera and species. At site scales, SDN sampling was more efficient for assessment of a first-order site. No consistent pattern, except for better efficiency of SFPE to detect Orthocladiinae genera, was observed at genus-level for two second-order sites. However, SFPE was consistently more efficient at detecting species of Orthocladiinae, Chironomini and Tanytarsini at the second order sites. SFPE was more efficient at detecting both genera and species at two third-order sites. The differential efficiencies of the two methods are concluded to be related to stream order and size, substrate size, flow and water velocity, depth and habitat heterogeneity, and differential ability to discriminate species among pupal exuviae specimens versus larval specimens. Although both approaches are considered necessary for comprehensive biodiversity assessments of Chironomidae, our results suggest that there is an optimal, but different, allocation of sampling effort for detecting Chironomidae across stream orders and at differing spatial and taxonomic scales.Article submitted 13. August 2014, accepted 31. October 2014, published 22. December 2014.

  1. Direct infusion-SIM as fast and robust method for absolute protein quantification in complex samples

    Directory of Open Access Journals (Sweden)

    Christina Looße

    2015-06-01

    Full Text Available Relative and absolute quantification of proteins in biological and clinical samples are common approaches in proteomics. Until now, targeted protein quantification is mainly performed using a combination of HPLC-based peptide separation and selected reaction monitoring on triple quadrupole mass spectrometers. Here, we show for the first time the potential of absolute quantification using a direct infusion strategy combined with single ion monitoring (SIM on a Q Exactive mass spectrometer. By using complex membrane fractions of Escherichia coli, we absolutely quantified the recombinant expressed heterologous human cytochrome P450 monooxygenase 3A4 (CYP3A4 comparing direct infusion-SIM with conventional HPLC-SIM. Direct-infusion SIM revealed only 14.7% (±4.1 (s.e.m. deviation on average, compared to HPLC-SIM and a decreased processing and analysis time of 4.5 min (that could be further decreased to 30 s for a single sample in contrast to 65 min by the LC–MS method. Summarized, our simplified workflow using direct infusion-SIM provides a fast and robust method for quantification of proteins in complex protein mixtures.

  2. Reliability of surface EMG measurements from the suprahyoid muscle complex

    DEFF Research Database (Denmark)

    Kothari, Mohit; Stubbs, Peter William; Pedersen, Asger Roer

    2017-01-01

    of using the suprahyoid muscle complex (SMC) using surface electromyography (sEMG) to assess changes to neural pathways by determining the reliability of measurements in healthy participants over days. Methods: Seventeen healthy participants were recruited. Measurements were performed twice with one week...... on stimulus type/intensity) had significantly different MEP values between day 1 and day 2 for single pulse and paired pulse TMS. A large stimulus artefact resulted in MEP responses that could not be assessed in four participants. Conclusions: The assessment of the SMC using sEMG following TMS was poorly...... reliable for ≈50% of participants. Although using sEMG to assess swallowing musculature function is easier to perform clinically and more comfortable to patients than invasive measures, as the measurement of muscle activity using TMS is unreliable, the use of sEMG for this muscle group is not recommended...

  3. A preliminary investigation of the applicability of surface complexation modeling to the understanding of transportation cask weeping

    International Nuclear Information System (INIS)

    Granstaff, V.E.; Chambers, W.B.; Doughty, D.H.

    1994-01-01

    A new application for surface complexation modeling is described. These models, which describe chemical equilibria among aqueous and adsorbed species, have typically been used for predicting groundwater transport of contaminants by modeling the natural adsorbents as various metal oxides. Our experiments suggest that this type of modeling can also explain stainless steel surface contamination and decontamination mechanisms. Stainless steel transportation casks, when submerged in a spent fuel storage pool at nuclear power stations, can become contaminated with radionuclides such as 137 Cs, 134 Cs, and 60 Co. Subsequent release or desorption of these contaminants under varying environmental conditions occasionally results in the phenomenon known as open-quotes cask weeping.close quotes We have postulated that contaminants in the storage pool adsorb onto the hydrous metal oxide surface of the passivated stainless steel and are subsequently released (by conversion from a fixed to a removable form) during transportation, due to varying environmental factors, such as humidity, road salt, dirt, and acid rain. It is well known that 304 stainless steel has a chromium enriched passive surface layer; thus its adsorption behavior should be similar to that of a mixed chromium/iron oxide. To help us interpret our studies of reversible binding of dissolved metals on stainless steel surfaces, we have studied the adsorption of Co +2 on Cr 2 O 3 . The data are interpreted using electrostatic surface complexation models. The FITEQL computer program was used to obtain the model binding constants and site densities from the experimental data. The MINTEQA2 computer speciation model was used, with the fitted constants, in an attempt to validate this approach

  4. Possible overestimation of surface disinfection efficiency by assessment methods based on liquid sampling procedures as demonstrated by in situ quantification of spore viability.

    Science.gov (United States)

    Grand, I; Bellon-Fontaine, M-N; Herry, J-M; Hilaire, D; Moriconi, F-X; Naïtali, M

    2011-09-01

    The standard test methods used to assess the efficiency of a disinfectant applied to surfaces are often based on counting the microbial survivors sampled in a liquid, but total cell removal from surfaces is seldom achieved. One might therefore wonder whether evaluations of microbial survivors in liquid-sampled cells are representative of the levels of survivors in whole populations. The present study was thus designed to determine the "damaged/undamaged" status induced by a peracetic acid disinfection for Bacillus atrophaeus spores deposited on glass coupons directly on this substrate and to compare it to the status of spores collected in liquid by a sampling procedure. The method utilized to assess the viability of both surface-associated and liquid-sampled spores included fluorescence labeling with a combination of Syto 61 and Chemchrome V6 dyes and quantifications by analyzing the images acquired by confocal laser scanning microscopy. The principal result of the study was that the viability of spores sampled in the liquid was found to be poorer than that of surface-associated spores. For example, after 2 min of peracetic acid disinfection, less than 17% ± 5% of viable cells were detected among liquid-sampled cells compared to 79% ± 5% or 47% ± 4%, respectively, when the viability was evaluated on the surface after or without the sampling procedure. Moreover, assessments of the survivors collected in the liquid phase, evaluated using the microscopic method and standard plate counts, were well correlated. Evaluations based on the determination of survivors among the liquid-sampled cells can thus overestimate the efficiency of surface disinfection procedures.

  5. Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm.

    Science.gov (United States)

    Zhang, Qing; Beard, Daniel A; Schlick, Tamar

    2003-12-01

    Salt-mediated electrostatics interactions play an essential role in biomolecular structures and dynamics. Because macromolecular systems modeled at atomic resolution contain thousands of solute atoms, the electrostatic computations constitute an expensive part of the force and energy calculations. Implicit solvent models are one way to simplify the model and associated calculations, but they are generally used in combination with standard atomic models for the solute. To approximate electrostatics interactions in models on the polymer level (e.g., supercoiled DNA) that are simulated over long times (e.g., milliseconds) using Brownian dynamics, Beard and Schlick have developed the DiSCO (Discrete Surface Charge Optimization) algorithm. DiSCO represents a macromolecular complex by a few hundred discrete charges on a surface enclosing the system modeled by the Debye-Hückel (screened Coulombic) approximation to the Poisson-Boltzmann equation, and treats the salt solution as continuum solvation. DiSCO can represent the nucleosome core particle (>12,000 atoms), for example, by 353 discrete surface charges distributed on the surfaces of a large disk for the nucleosome core particle and a slender cylinder for the histone tail; the charges are optimized with respect to the Poisson-Boltzmann solution for the electric field, yielding a approximately 5.5% residual. Because regular surfaces enclosing macromolecules are not sufficiently general and may be suboptimal for certain systems, we develop a general method to construct irregular models tailored to the geometry of macromolecules. We also compare charge optimization based on both the electric field and electrostatic potential refinement. Results indicate that irregular surfaces can lead to a more accurate approximation (lower residuals), and the refinement in terms of the electric field is more robust. We also show that surface smoothing for irregular models is important, that the charge optimization (by the TNPACK

  6. Surface Ionization and Soft Landing Techniques in Mass Spectrometry

    International Nuclear Information System (INIS)

    Futrell, Jean H.; Laskin, Julia

    2010-01-01

    The advent of soft ionization techniques, notably electrospray and laser desorption ionization methods, has extended mass spectrometric methods to large molecules and molecular complexes. This both greatly expands applications of mass spectrometry and makes the activation and dissociation of complex ions an integral part of large molecule mass spectrometry. A corollary of the much greater number of internal degrees of freedom and high density of states associated with molecular complexity is that internal energies much higher than the dissociation energies for competing fragmentation processes are required for observable fragmentation in time scales sampled by mass spectrometers. This article describes the kinetics of surface-induced dissociation (SID), a particularly efficient activation method for complex ions. Two very important characteristics of SID are very rapid, sub-picosecond activation and precise control of ion internal energy by varying ion collision energy. The nature of the surface plays an important role in SID, determining both efficiency and mechanism of ion activation. Surface composition and morphology strongly influence the relative importance of competing reactions of SID, ion capture (soft-landing), surface reaction and neutralization. The important features of SID and ion soft-landing are described briefly in this review and more fully in the recommended reading list.

  7. Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa

    2013-11-27

    We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

  8. Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa; Azzi, Joachim; Abou-Hamad, Edy; Anjum, Dalaver H.; Pasha, Fahran A.; Huang, Kuo-Wei; Emsley, Lyndon; Basset, Jean-Marie

    2013-01-01

    We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

  9. A free-knot spline modeling framework for piecewise linear logistic regression in complex samples with body mass index and mortality as an example

    Directory of Open Access Journals (Sweden)

    Scott W. Keith

    2014-09-01

    Full Text Available This paper details the design, evaluation, and implementation of a framework for detecting and modeling nonlinearity between a binary outcome and a continuous predictor variable adjusted for covariates in complex samples. The framework provides familiar-looking parameterizations of output in terms of linear slope coefficients and odds ratios. Estimation methods focus on maximum likelihood optimization of piecewise linear free-knot splines formulated as B-splines. Correctly specifying the optimal number and positions of the knots improves the model, but is marked by computational intensity and numerical instability. Our inference methods utilize both parametric and nonparametric bootstrapping. Unlike other nonlinear modeling packages, this framework is designed to incorporate multistage survey sample designs common to nationally representative datasets. We illustrate the approach and evaluate its performance in specifying the correct number of knots under various conditions with an example using body mass index (BMI; kg/m2 and the complex multi-stage sampling design from the Third National Health and Nutrition Examination Survey to simulate binary mortality outcomes data having realistic nonlinear sample-weighted risk associations with BMI. BMI and mortality data provide a particularly apt example and area of application since BMI is commonly recorded in large health surveys with complex designs, often categorized for modeling, and nonlinearly related to mortality. When complex sample design considerations were ignored, our method was generally similar to or more accurate than two common model selection procedures, Schwarz’s Bayesian Information Criterion (BIC and Akaike’s Information Criterion (AIC, in terms of correctly selecting the correct number of knots. Our approach provided accurate knot selections when complex sampling weights were incorporated, while AIC and BIC were not effective under these conditions.

  10. Variational Approach to Enhanced Sampling and Free Energy Calculations

    Science.gov (United States)

    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.

  11. Effect of Binding Components in Complex Sample Matrices on Recovery in Direct Immersion Solid-Phase Microextraction: Friends or Foe?

    Science.gov (United States)

    Alam, Md Nazmul; Pawliszyn, Janusz

    2018-02-20

    The development of matrix compatible coatings for solid-phase microextraction (SPME) has enabled direct extraction of analytes from complex sample matrices. The direct immersion (DI) mode of SPME when utilized in conjunction with such extraction phases facilitates extraction of a wide range of analytes from complex matrices without the incurrence of fouling or coating saturation. In this work, mathematical models and computational simulations were employed to investigate the effect of binding components present in complex samples on the recovery of small molecules varying in logP for extractions carried out using the direct immersion approach. The presented findings corroborate that the studied approach indeed enables the extraction of both polar and nonpolar analytes from complex matrices, provided a suitable sorbent is employed. Further results indicated that, in certain cases, the kinetics of extraction of a given analyte in its free form might be dependent on the desorption kinetics of their bound form from matrix components, which might lower total recoveries of analytes with high affinity for the matrix. However, the binding of analytes to matrix components also enables SPME to extract a balanced quantity of different logP analytes, facilitated by multiphase equilibria, with a single extraction device.

  12. Time-Efficiency of Sorting Chironomidae Surface-Floating Pupal Exuviae Samples from Urban Trout Streams in Northeast Minnesota, USA

    Directory of Open Access Journals (Sweden)

    Alyssa M Anderson

    2012-10-01

    Full Text Available Collections of Chironomidae surface-floating pupal exuviae (SFPE provide an effective means of assessing water quality in streams. Although not widely used in the United States, the technique is not new and has been shown to be more cost-efficient than traditional dip-net sampling techniques in organically enriched stream in an urban landscape. The intent of this research was to document the efficiency of sorting SFPE samples relative to dip-net samples in trout streams with catchments varying in amount of urbanization and differences in impervious surface. Samples of both SFPE and dip-nets were collected from 17 sample sites located on 12 trout streams in Duluth, MN, USA. We quantified time needed to sort subsamples of 100 macroinvertebrates from dip-net samples, and less than or greater than 100 chironomid exuviae from SFPE samples. For larger samples of SFPE, the time required to subsample up to 300 exuviae was also recorded. The average time to sort subsamples of 100 specimens was 22.5 minutes for SFPE samples, compared to 32.7 minutes for 100 macroinvertebrates in dip-net samples. Average time to sort up to 300 exuviae was 37.7 minutes. These results indicate that sorting SFPE samples is more time-efficient than traditional dip-net techniques in trout streams with varying catchment characteristics.doi: 10.5324/fn.v31i0.1380.Published online: 17 October 2012.

  13. An innovative approach to sampling complex industrial emissions for use in animal toxicity tests: application to iron casting operations.

    Science.gov (United States)

    Palmer, W G; Scholz, R C; Moorman, W J

    1983-03-01

    Sampling of complex mixtures of airborne contaminants for chronic animal toxicity tests often involves numerous sampling devices, requires extensive sampling time, and yields forms of collected materials unsuitable for administration to animals. A method is described which used a high volume, wet venturi scrubber for collection of respirable fractions of emissions from iron foundry casting operations. The construction and operation of the sampler are presented along with collection efficiency data and its application to the preparation of large quantities of samples to be administered to animals by intratracheal instillation.

  14. Towards a fully automated lab-on-a-disc system integrating sample enrichment and detection of analytes from complex matrices

    DEFF Research Database (Denmark)

    Andreasen, Sune Zoëga

    the technology on a large scale from fulfilling its potential for maturing into applied technologies and products. In this work, we have taken the first steps towards realizing a capable and truly automated “sample-to-answer” analysis system, aimed at small molecule detection and quantification from a complex...... sample matrix. The main result is a working prototype of a microfluidic system, integrating both centrifugal microfluidics for sample handling, supported liquid membrane extraction (SLM) for selective and effective sample treatment, as well as in-situ electrochemical detection. As a case study...

  15. The effects of sampling bias and model complexity on the predictive performance of MaxEnt species distribution models.

    Science.gov (United States)

    Syfert, Mindy M; Smith, Matthew J; Coomes, David A

    2013-01-01

    Species distribution models (SDMs) trained on presence-only data are frequently used in ecological research and conservation planning. However, users of SDM software are faced with a variety of options, and it is not always obvious how selecting one option over another will affect model performance. Working with MaxEnt software and with tree fern presence data from New Zealand, we assessed whether (a) choosing to correct for geographical sampling bias and (b) using complex environmental response curves have strong effects on goodness of fit. SDMs were trained on tree fern data, obtained from an online biodiversity data portal, with two sources that differed in size and geographical sampling bias: a small, widely-distributed set of herbarium specimens and a large, spatially clustered set of ecological survey records. We attempted to correct for geographical sampling bias by incorporating sampling bias grids in the SDMs, created from all georeferenced vascular plants in the datasets, and explored model complexity issues by fitting a wide variety of environmental response curves (known as "feature types" in MaxEnt). In each case, goodness of fit was assessed by comparing predicted range maps with tree fern presences and absences using an independent national dataset to validate the SDMs. We found that correcting for geographical sampling bias led to major improvements in goodness of fit, but did not entirely resolve the problem: predictions made with clustered ecological data were inferior to those made with the herbarium dataset, even after sampling bias correction. We also found that the choice of feature type had negligible effects on predictive performance, indicating that simple feature types may be sufficient once sampling bias is accounted for. Our study emphasizes the importance of reducing geographical sampling bias, where possible, in datasets used to train SDMs, and the effectiveness and essentialness of sampling bias correction within MaxEnt.

  16. HIFU scattering by the ribs: constrained optimisation with a complex surface impedance boundary condition

    Science.gov (United States)

    Gélat, P.; ter Haar, G.; Saffari, N.

    2014-04-01

    High intensity focused ultrasound (HIFU) enables highly localised, non-invasive tissue ablation and its efficacy has been demonstrated in the treatment of a range of cancers, including those of the kidney, prostate and breast. HIFU offers the ability to treat deep-seated tumours locally, and potentially bears fewer side effects than more established treatment modalities such as resection, chemotherapy and ionising radiation. There remains however a number of significant challenges which currently hinder its widespread clinical application. One of these challenges is the need to transmit sufficient energy through the ribcage to ablate tissue at the required foci whilst minimising the formation of side lobes and sparing healthy tissue. Ribs both absorb and reflect ultrasound strongly. This sometimes results in overheating of bone and overlying tissue during treatment, leading to skin burns. Successful treatment of a patient with tumours in the upper abdomen therefore requires a thorough understanding of the way acoustic and thermal energy is deposited. Previously, a boundary element (BE) approach based on a Generalised Minimal Residual (GMRES) implementation of the Burton-Miller formulation was developed to predict the field of a multi-element HIFU array scattered by human ribs, the topology of which was obtained from CT scan data [1]. Dissipative mechanisms inside the propagating medium have since been implemented, together with a complex surface impedance condition at the surface of the ribs. A reformulation of the boundary element equations as a constrained optimisation problem was carried out to determine the complex surface velocities of a multi-element HIFU array which generated the acoustic pressure field that best fitted a required acoustic pressure distribution in a least-squares sense. This was done whilst ensuring that an acoustic dose rate parameter at the surface of the ribs was kept below a specified threshold. The methodology was tested at an

  17. Sampling and analysis for radon-222 dissolved in ground water and surface water

    Science.gov (United States)

    DeWayne, Cecil L.; Gesell, T.F.

    1992-01-01

    Radon-222 is a naturally occurring radioactive gas in the uranium-238 decay series that has traditionally been called, simply, radon. The lung cancer risks associated with the inhalation of radon decay products have been well documented by epidemiological studies on populations of uranium miners. The realization that radon is a public health hazard has raised the need for sampling and analytical guidelines for field personnel. Several sampling and analytical methods are being used to document radon concentrations in ground water and surface water worldwide but no convenient, single set of guidelines is available. Three different sampling and analytical methods - bubbler, liquid scintillation, and field screening - are discussed in this paper. The bubbler and liquid scintillation methods have high accuracy and precision, and small analytical method detection limits of 0.2 and 10 pCi/l (picocuries per liter), respectively. The field screening method generally is used as a qualitative reconnaissance tool.

  18. Surface-Sensitive and Bulk Studies on the Complexation and Photosensitized Degradation of Catechol by Iron(III) as a Model for Multicomponent Aerosol Systems

    Science.gov (United States)

    Al-abadleh, H. A.; Tofan-Lazar, J.; Situm, A.; Ruffolo, J.; Slikboer, S.

    2013-12-01

    Surface water plays a crucial role in facilitating or inhibiting surface reactions in atmospheric aerosols. Little is known about the role of surface water in the complexation of organic molecules to transition metals in multicomponent aerosol systems. We will show results from real time diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments for the in situ complexation of catechol to Fe(III) and its photosensitized degradation under dry and humid conditions. Catechol was chosen as a simple model for humic-like substances (HULIS) in aerosols and aged polyaromatic hydrocarbons (PAH). It has also been detected in secondary organic aerosols (SOA) formed from the reaction of hydroxyl radicals with benzene. Given the importance of the iron content in aerosols and its biogeochemistry, our studies were conducted using FeCl3. For comparison, these surface-sensitive studies were complemented with bulk aqueous ATR-FTIR, UV-vis, and HPLC measurements for structural, quantitative and qualitative information about complexes in the bulk, and potential degradation products. The implications of our studies on understanding interfacial and condensed phase chemistry relevant to multicomponent aerosols, water thin islands on buildings, and ocean surfaces containing transition metals will be discussed.

  19. A solid phase extraction-ion chromatography with conductivity detection procedure for determining cationic surfactants in surface water samples.

    Science.gov (United States)

    Olkowska, Ewa; Polkowska, Żaneta; Namieśnik, Jacek

    2013-11-15

    A new analytical procedure for the simultaneous determination of individual cationic surfactants (alkyl benzyl dimethyl ammonium chlorides) in surface water samples has been developed. We describe this methodology for the first time: it involves the application of solid phase extraction (SPE-for sample preparation) coupled with ion chromatography-conductivity detection (IC-CD-for the final determination). Mean recoveries of analytes between 79% and 93%, and overall method quantification limits in the range from 0.0018 to 0.038 μg/mL for surface water and CRM samples were achieved. The methodology was applied to the determination of individual alkyl benzyl quaternary ammonium compounds in environmental samples (reservoir water) and enables their presence in such types of waters to be confirmed. In addition, it is a simpler, less time-consuming, labour-intensive, avoiding use of toxic chloroform and significantly less expensive methodology than previously described approaches (liquid-liquid extraction coupled with liquid chromatography-mass spectrometry). Copyright © 2013 Elsevier B.V. All rights reserved.

  20. Sample mounting and transfer for coupling an ultrahigh vacuum variable temperature beetle scanning tunneling microscope with conventional surface probes

    International Nuclear Information System (INIS)

    Nafisi, Kourosh; Ranau, Werner; Hemminger, John C.

    2001-01-01

    We present a new ultrahigh vacuum (UHV) chamber for surface analysis and microscopy at controlled, variable temperatures. The new instrument allows surface analysis with Auger electron spectroscopy, low energy electron diffraction, quadrupole mass spectrometer, argon ion sputtering gun, and a variable temperature scanning tunneling microscope (VT-STM). In this system, we introduce a novel procedure for transferring a sample off a conventional UHV manipulator and onto a scanning tunneling microscope in the conventional ''beetle'' geometry, without disconnecting the heating or thermocouple wires. The microscope, a modified version of the Besocke beetle microscope, is mounted on a 2.75 in. outer diameter UHV flange and is directly attached to the base of the chamber. The sample is attached to a tripod sample holder that is held by the main manipulator. Under UHV conditions the tripod sample holder can be removed from the main manipulator and placed onto the STM. The VT-STM has the capability of acquiring images between the temperature range of 180--500 K. The performance of the chamber is demonstrated here by producing an ordered array of island vacancy defects on a Pt(111) surface and obtaining STM images of these defects

  1. Surface excitation parameter for rough surfaces

    International Nuclear Information System (INIS)

    Da, Bo; Salma, Khanam; Ji, Hui; Mao, Shifeng; Zhang, Guanghui; Wang, Xiaoping; Ding, Zejun

    2015-01-01

    Graphical abstract: - Highlights: • Instead of providing a general mathematical model of roughness, we directly use a finite element triangle mesh method to build a fully 3D rough surface from the practical sample. • The surface plasmon excitation can be introduced to the realistic sample surface by dielectric response theory and finite element method. • We found that SEP calculated based on ideal plane surface model are still reliable for real sample surface with common roughness. - Abstract: In order to assess quantitatively the importance of surface excitation effect in surface electron spectroscopy measurement, surface excitation parameter (SEP) has been introduced to describe the surface excitation probability as an average number of surface excitations that electrons can undergo when they move through solid surface either in incoming or outgoing directions. Meanwhile, surface roughness is an inevitable issue in experiments particularly when the sample surface is cleaned with ion beam bombardment. Surface roughness alters not only the electron elastic peak intensity but also the surface excitation intensity. However, almost all of the popular theoretical models for determining SEP are based on ideal plane surface approximation. In order to figure out whether this approximation is efficient or not for SEP calculation and the scope of this assumption, we proposed a new way to determine the SEP for a rough surface by a Monte Carlo simulation of electron scattering process near to a realistic rough surface, which is modeled by a finite element analysis method according to AFM image. The elastic peak intensity is calculated for different electron incident and emission angles. Assuming surface excitations obey the Poisson distribution the SEPs corrected for surface roughness are then obtained by analyzing the elastic peak intensity for several materials and for different incident and emission angles. It is found that the surface roughness only plays an

  2. Inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model

    NARCIS (Netherlands)

    Ridley, M.K.; Hiemstra, T.; Riemsdijk, van W.H.; Machesky, M.L.

    2009-01-01

    Acid–base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in

  3. Improved Bacterial and Viral Recoveries from 'Complex' Samples using Electrophoretically Assisted Acoustic Focusing

    Energy Technology Data Exchange (ETDEWEB)

    Ness, K; Rose, K; Jung, B; Fisher, K; Mariella, Jr., R P

    2008-03-27

    Automated front-end sample preparation technologies can significantly enhance the sensitivity and reliability of biodetection assays [1]. We are developing advanced sample preparation technologies for biowarfare detection and medical point-of-care diagnostics using microfluidic systems with continuous sample processing capabilities. Here we report an electrophoretically assisted acoustic focusing technique to rapidly extract and enrich viral and bacterial loads from 'complex samples', applied in this case to human nasopharyngeal samples as well as simplified surrogates. The acoustic forces capture and remove large particles (> 2 {micro}m) such as host cells, debris, dust, and pollen from the sample. We simultaneously apply an electric field transverse to the flow direction to transport small ({le} 2 {micro}m), negatively-charged analytes into a separate purified recovery fluid using a modified H-filter configuration [Micronics US Patent 5,716,852]. Hunter and O'Brien combined transverse electrophoresis and acoustic focusing to measure the surface charge on large particles, [2] but to our knowledge, our work is the first demonstration combining these two techniques in a continuous flow device. Marina et al. demonstrated superimposed dielectrophoresis (DEP) and acoustic focusing for enhanced separations [3], but these devices have limited throughput due to the rapid decay of DEP forces. Both acoustic standing waves and electric fields exert significant forces over the entire fluid volume in microchannels, thus allowing channels with larger dimensions (> 100 {micro}m) and high throughputs (10-100 {micro}L/min) necessary to process real-world volumes (1 mL). Previous work demonstrated acoustic focusing of microbeads [4] and biological species [5] in various geometries. We experimentally characterized our device by determining the biological size-cutoff where acoustic radiation pressure forces no longer transport biological particles. Figure 1 shows

  4. Evaluation of wastewater contaminant transport in surface waters using verified Lagrangian sampling

    Science.gov (United States)

    Antweiler, Ronald C.; Writer, Jeffrey H.; Murphy, Sheila F.

    2014-01-01

    Contaminants released from wastewater treatment plants can persist in surface waters for substantial distances. Much research has gone into evaluating the fate and transport of these contaminants, but this work has often assumed constant flow from wastewater treatment plants. However, effluent discharge commonly varies widely over a 24-hour period, and this variation controls contaminant loading and can profoundly influence interpretations of environmental data. We show that methodologies relying on the normalization of downstream data to conservative elements can give spurious results, and should not be used unless it can be verified that the same parcel of water was sampled. Lagrangian sampling, which in theory samples the same water parcel as it moves downstream (the Lagrangian parcel), links hydrologic and chemical transformation processes so that the in-stream fate of wastewater contaminants can be quantitatively evaluated. However, precise Lagrangian sampling is difficult, and small deviations – such as missing the Lagrangian parcel by less than 1 h – can cause large differences in measured concentrations of all dissolved compounds at downstream sites, leading to erroneous conclusions regarding in-stream processes controlling the fate and transport of wastewater contaminants. Therefore, we have developed a method termed “verified Lagrangian” sampling, which can be used to determine if the Lagrangian parcel was actually sampled, and if it was not, a means for correcting the data to reflect the concentrations which would have been obtained had the Lagrangian parcel been sampled. To apply the method, it is necessary to have concentration data for a number of conservative constituents from the upstream, effluent, and downstream sites, along with upstream and effluent concentrations that are constant over the short-term (typically 2–4 h). These corrections can subsequently be applied to all data, including non-conservative constituents. Finally, we

  5. Evaluation of wastewater contaminant transport in surface waters using verified Lagrangian sampling.

    Science.gov (United States)

    Antweiler, Ronald C; Writer, Jeffrey H; Murphy, Sheila F

    2014-02-01

    Contaminants released from wastewater treatment plants can persist in surface waters for substantial distances. Much research has gone into evaluating the fate and transport of these contaminants, but this work has often assumed constant flow from wastewater treatment plants. However, effluent discharge commonly varies widely over a 24-hour period, and this variation controls contaminant loading and can profoundly influence interpretations of environmental data. We show that methodologies relying on the normalization of downstream data to conservative elements can give spurious results, and should not be used unless it can be verified that the same parcel of water was sampled. Lagrangian sampling, which in theory samples the same water parcel as it moves downstream (the Lagrangian parcel), links hydrologic and chemical transformation processes so that the in-stream fate of wastewater contaminants can be quantitatively evaluated. However, precise Lagrangian sampling is difficult, and small deviations - such as missing the Lagrangian parcel by less than 1h - can cause large differences in measured concentrations of all dissolved compounds at downstream sites, leading to erroneous conclusions regarding in-stream processes controlling the fate and transport of wastewater contaminants. Therefore, we have developed a method termed "verified Lagrangian" sampling, which can be used to determine if the Lagrangian parcel was actually sampled, and if it was not, a means for correcting the data to reflect the concentrations which would have been obtained had the Lagrangian parcel been sampled. To apply the method, it is necessary to have concentration data for a number of conservative constituents from the upstream, effluent, and downstream sites, along with upstream and effluent concentrations that are constant over the short-term (typically 2-4h). These corrections can subsequently be applied to all data, including non-conservative constituents. Finally, we show how data

  6. Laser-induced oxidation of titanium substrate: Analysis of the physicochemical structure of the surface and sub-surface layers

    Energy Technology Data Exchange (ETDEWEB)

    Antończak, Arkadiusz J., E-mail: arkadiusz.antonczak@pwr.edu.pl [Laser and Fiber Electronics Group, Faculty of Electrical Engineering, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland); Skowroński, Łukasz; Trzcinski, Marek [Institute of Mathematics and Physics, University of Technology and Life Sciences, Kaliskiego 7, 85-789 Bydgoszcz (Poland); Kinzhybalo, Vasyl V. [Wroclaw Research Centre EIT+, Stabłowicka 147, 54-066 Wrocław (Poland); Institute of Low Temperature and Structure Research, Okólna 2, 50-422 Wrocław (Poland); Łazarek, Łukasz K.; Abramski, Krzysztof M. [Laser and Fiber Electronics Group, Faculty of Electrical Engineering, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland)

    2015-01-15

    Highlights: • Chemical structure of the films induced by laser on titanium surface was analyzed. • It was shown that outer layer of this films consist of oxides doped with nitrogen. • The optical properties of the laser-induced oxynitride films were characterized. • We found that the films demonstrated significant absorption in the band of 300–580 nm. • The morphology of the layers as a function of the laser fluence was investigated. - Abstract: This paper presents the results of the analysis of the complex chemical structure of the layers made on titanium in the process of the heating of its surfaces in an atmospheric environment, by irradiating samples with a nanosecond-pulsed laser. The study was carried out for electroplated, high purity, polycrystalline titanium substrates using a Yb:glass fiber laser. All measurements were made for samples irradiated in a broad range of accumulated fluence, below the ablation threshold. It has been determined how the complex index of refraction of both the oxynitride layers and the substrate vary as a function of accumulated laser fluence. It was also shown that the top layer of the film produced on titanium, which is transparent, is not a pure TiO{sub 2} as had been supposed before. The XPS and XRD analyses confirmed the presence of nitrogen compounds and the existence of nonstoichiometric compounds. By sputtering of the sample's surface using an Ar{sup +} ion gun, the changes in the concentration of individual elements as a function of the layer's cross-section were determined. Lastly, an analysis of the surface morphology has also been carried out, explaining why the layers crack and exfoliate from their substrate.

  7. Effect of the grain size of the soil on the measured activity and variation in activity in surface and subsurface soil samples

    International Nuclear Information System (INIS)

    Sulaiti, H.A.; Rega, P.H.; Bradley, D.; Dahan, N.A.; Mugren, K.A.; Dosari, M.A.

    2014-01-01

    Correlation between grain size and activity concentrations of soils and concentrations of various radionuclides in surface and subsurface soils has been measured for samples taken in the State of Qatar by gamma-spectroscopy using a high purity germanium detector. From the obtained gamma-ray spectra, the activity concentrations of the 238U (226Ra) and /sup 232/ Th (/sup 228/ Ac) natural decay series, the long-lived naturally occurring radionuclide 40 K and the fission product radionuclide 137CS have been determined. Gamma dose rate, radium equivalent, radiation hazard index and annual effective dose rates have also been estimated from these data. In order to observe the effect of grain size on the radioactivity of soil, three grain sizes were used i.e., smaller than 0.5 mm; smaller than 1 mm and greater than 0.5 mm; and smaller than 2 mm and greater than 1 mm. The weighted activity concentrations of the 238U series nuclides in 0.5-2 mm grain size of sample numbers was found to vary from 2.5:f:0.2 to 28.5+-0.5 Bq/kg, whereas, the weighted activity concentration of 4 degree K varied from 21+-4 to 188+-10 Bq/kg. The weighted activity concentrations of 238U series and 4 degree K have been found to be higher in the finest grain size. However, for the 232Th series, the activity concentrations in the 1-2 mm grain size of one sample were found to be higher than in the 0.5-1 mm grain size. In the study of surface and subsurface soil samples, the activity concentration levels of 238 U series have been found to range from 15.9+-0.3 to 24.1+-0.9 Bq/kg, in the surface soil samples (0-5 cm) and 14.5+-0.3 to 23.6+-0.5 Bq/kg in the subsurface soil samples (5-25 cm). The activity concentrations of 232Th series have been found to lie in the range 5.7+-0.2 to 13.7+-0.5 Bq/kg, in the surface soil samples (0-5 cm)and 4.1+-0.2 to 15.6+-0.3 Bq/kg in the subsurface soil samples (5-25 cm). The activity concentrations of 4 degree K were in the range 150+-8 to 290+-17 Bq/kg, in the surface

  8. Area G perimeter surface-soil and single-stage water sampling: Environmental surveillance for fiscal year 94, Group ESH-19. Progress report

    International Nuclear Information System (INIS)

    Conrad, R.; Childs, M.; Lyons, C.R.; Coriz, F.

    1996-08-01

    ESH-19 personnel collected soil and single-stage water samples around the perimeter of Area G at Los Alamos National Laboratory during FY94 to characterize possible contaminant movement out of Area G through surface-water and sediment runoff. These samples were analyzed for tritium, total uranium, isotopic plutonium, americium-241, and cesium-137. Ten metals were also analyzed on selected soils using analytical laboratory techniques. All radiochemical data are compared with analogous samples collected during FY 93 and reported in LA-12986. Baseline concentrations for future disposal operations were established for metals and radionuclides by a sampling program in the proposed Area G Expansion Area. Considering the amount of radioactive waste that has been disposed at Area G, there is evidence of only low concentrations of radionuclides on perimeter surface soils. Consequently, little radioactivity is leaving the confines of Area G via the surface water runoff pathway

  9. Sampling and chemical analysis in environmental samples around Nuclear Power Plants and some environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Yong Woo; Han, Man Jung; Cho, Seong Won; Cho, Hong Jun; Oh, Hyeon Kyun; Lee, Jeong Min; Chang, Jae Sook [KORTIC, Taejon (Korea, Republic of)

    2002-12-15

    Twelve kinds of environmental samples such as soil, seawater, underground water, etc. around Nuclear Power Plants(NPPs) were collected. Tritium chemical analysis was tried for the samples of rain water, pine-needle, air, seawater, underground water, chinese cabbage, a grain of rice and milk sampled around NPPs, and surface seawater and rain water sampled over the country. Strontium in the soil that sere sampled at 60 point of district in Korea were analyzed. Tritium were sampled at 60 point of district in Korea were analyzed. Tritium were analyzed in 21 samples of surface seawater around the Korea peninsular that were supplied from KFRDI(National Fisheries Research and Development Institute). Sampling and chemical analysis environmental samples around Kori, Woolsung, Youngkwang, Wooljin Npps and Taeduk science town for tritium and strontium analysis was managed according to plans. Succeed to KINS after all samples were tried.

  10. Detection, characterization and quantification of inorganic engineered nanomaterials: A review of techniques and methodological approaches for the analysis of complex samples

    Energy Technology Data Exchange (ETDEWEB)

    Laborda, Francisco, E-mail: flaborda@unizar.es; Bolea, Eduardo; Cepriá, Gemma; Gómez, María T.; Jiménez, María S.; Pérez-Arantegui, Josefina; Castillo, Juan R.

    2016-01-21

    The increasing demand of analytical information related to inorganic engineered nanomaterials requires the adaptation of existing techniques and methods, or the development of new ones. The challenge for the analytical sciences has been to consider the nanoparticles as a new sort of analytes, involving both chemical (composition, mass and number concentration) and physical information (e.g. size, shape, aggregation). Moreover, information about the species derived from the nanoparticles themselves and their transformations must also be supplied. Whereas techniques commonly used for nanoparticle characterization, such as light scattering techniques, show serious limitations when applied to complex samples, other well-established techniques, like electron microscopy and atomic spectrometry, can provide useful information in most cases. Furthermore, separation techniques, including flow field flow fractionation, capillary electrophoresis and hydrodynamic chromatography, are moving to the nano domain, mostly hyphenated to inductively coupled plasma mass spectrometry as element specific detector. Emerging techniques based on the detection of single nanoparticles by using ICP-MS, but also coulometry, are in their way to gain a position. Chemical sensors selective to nanoparticles are in their early stages, but they are very promising considering their portability and simplicity. Although the field is in continuous evolution, at this moment it is moving from proofs-of-concept in simple matrices to methods dealing with matrices of higher complexity and relevant analyte concentrations. To achieve this goal, sample preparation methods are essential to manage such complex situations. Apart from size fractionation methods, matrix digestion, extraction and concentration methods capable of preserving the nature of the nanoparticles are being developed. This review presents and discusses the state-of-the-art analytical techniques and sample preparation methods suitable for

  11. Detection, characterization and quantification of inorganic engineered nanomaterials: A review of techniques and methodological approaches for the analysis of complex samples

    International Nuclear Information System (INIS)

    Laborda, Francisco; Bolea, Eduardo; Cepriá, Gemma; Gómez, María T.; Jiménez, María S.; Pérez-Arantegui, Josefina; Castillo, Juan R.

    2016-01-01

    The increasing demand of analytical information related to inorganic engineered nanomaterials requires the adaptation of existing techniques and methods, or the development of new ones. The challenge for the analytical sciences has been to consider the nanoparticles as a new sort of analytes, involving both chemical (composition, mass and number concentration) and physical information (e.g. size, shape, aggregation). Moreover, information about the species derived from the nanoparticles themselves and their transformations must also be supplied. Whereas techniques commonly used for nanoparticle characterization, such as light scattering techniques, show serious limitations when applied to complex samples, other well-established techniques, like electron microscopy and atomic spectrometry, can provide useful information in most cases. Furthermore, separation techniques, including flow field flow fractionation, capillary electrophoresis and hydrodynamic chromatography, are moving to the nano domain, mostly hyphenated to inductively coupled plasma mass spectrometry as element specific detector. Emerging techniques based on the detection of single nanoparticles by using ICP-MS, but also coulometry, are in their way to gain a position. Chemical sensors selective to nanoparticles are in their early stages, but they are very promising considering their portability and simplicity. Although the field is in continuous evolution, at this moment it is moving from proofs-of-concept in simple matrices to methods dealing with matrices of higher complexity and relevant analyte concentrations. To achieve this goal, sample preparation methods are essential to manage such complex situations. Apart from size fractionation methods, matrix digestion, extraction and concentration methods capable of preserving the nature of the nanoparticles are being developed. This review presents and discusses the state-of-the-art analytical techniques and sample preparation methods suitable for

  12. Acid-base properties and surface complexation modeling of phosphate anion adsorption by wasted low grade iron ore with high phosphorus.

    Science.gov (United States)

    Yuan, Xiaoli; Bai, Chenguang; Xia, Wentang; An, Juan

    2014-08-15

    The adsorption phenomena and specific reaction processes of phosphate onto wasted low grade iron ore with high phosphorus (WLGIOWHP) were studied in this work. Zeta potential and Fourier transform infrared spectroscopy (FTIR) analyses were used to elucidate the interaction mechanism between WLGIOWHP and aqueous solution. The results implied that the main adsorption mechanism was the replacement of surface hydroxyl groups by phosphate via the formation of inner-sphere complex. The adsorption process was characterized by chemical adsorption onto WLGIOWHP. The non-electrostatic model (NEM) was used to simulate the surface adsorption of phosphate onto WLGIOWHP. The total surface site density and protonation constants for NEM (N(T)=1.6×10(-4) mol/g, K(a1)=2.2×10(-4), K(a2)=6.82×10(-9)) were obtained by non-linear data fitting of acid-base titrations. In addition, the NEM was used to establish the surface adsorption complexation modeling of phosphate onto WLGIOWHP. The model successfully predicted the adsorption of phosphate onto WLGIOWHP from municipal wastewater. Copyright © 2014 Elsevier Inc. All rights reserved.

  13. Sample summary report for ARG 1 pressure tube sample

    International Nuclear Information System (INIS)

    Belinco, C.

    2006-01-01

    The ARG 1 sample is made from an un-irradiated Zr-2.5% Nb pressure tube. The sample has 103.4 mm ID, 112 mm OD and approximately 500 mm length. A punch mark was made very close to one end of the sample. The punch mark indicates the 12 O'clock position and also identifies the face of the tube for making all the measurements. ARG 1 sample contains flaws on ID and OD surface. There was no intentional flaw within the wall of the pressure tube sample. Once the flaws are machined the pressure tube sample was covered from outside to hide the OD flaws. Approximately 50 mm length of pressure tube was left open at both the ends to facilitate the holding of sample in the fixtures for inspection. No flaw was machined in this zone of 50 mm on either end of the pressure tube sample. A total of 20 flaws were machined in ARG 1 sample. Out of these, 16 flaws were on the OD surface and the remaining 4 on the ID surface of the pressure tube. The flaws were characterized in to various groups like axial flaws, circumferential flaws, etc

  14. Surface-Induced Dissociation of Protein Complexes in a Hybrid Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Jing; Zhou, Mowei; Gilbert, Joshua D.; Wolff, Jeremy J.; Somogyi, Árpád; Pedder, Randall E.; Quintyn, Royston S.; Morrison, Lindsay J.; Easterling, Michael L.; Paša-Tolić, Ljiljana; Wysocki, Vicki H.

    2017-01-03

    Mass spectrometry continues to develop as a valuable tool in the analysis of proteins and protein complexes. In protein complex mass spectrometry studies, surface-induced dissociation (SID) has been successfully applied in quadrupole time-of-flight (Q-TOF) instruments. SID provides structural information on non-covalent protein complexes that is complementary to other techniques. However, the mass resolution of Q-TOF instruments can limit the information that can be obtained for protein complexes by SID. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) provides ultrahigh resolution and ultrahigh mass accuracy measurements. In this study, an SID device was designed and successfully installed in a hybrid FT-ICR instrument in place of the standard gas collision cell. The SID-FT-ICR platform has been tested with several protein complex systems (homooligomers, a heterooligomer, and a protein-ligand complex, ranging from 53 kDa to 85 kDa), and the results are consistent with data previously acquired on Q-TOF platforms, matching predictions from known protein interface information. SID fragments with the same m/z but different charge states are well-resolved based on distinct spacing between adjacent isotope peaks, and the addition of metal cations and ligands can also be isotopically resolved with the ultrahigh mass resolution available in FT-ICR.

  15. Sampling from complex networks with high community structures.

    Science.gov (United States)

    Salehi, Mostafa; Rabiee, Hamid R; Rajabi, Arezo

    2012-06-01

    In this paper, we propose a novel link-tracing sampling algorithm, based on the concepts from PageRank vectors, to sample from networks with high community structures. Our method has two phases; (1) Sampling the closest nodes to the initial nodes by approximating personalized PageRank vectors and (2) Jumping to a new community by using PageRank vectors and unknown neighbors. Empirical studies on several synthetic and real-world networks show that the proposed method improves the performance of network sampling compared to the popular link-based sampling methods in terms of accuracy and visited communities.

  16. Determination of submicrogram-per-liter concentrations of caffeine in surface water and groundwater samples by solid-phase extraction and liquid chromatography

    Science.gov (United States)

    Burkhardt, M.R.; Soliven, P.P.; Werner, S.L.; Vaught, D.G.

    1999-01-01

    A method for determining submicrogram-per-liter concentrations of caffeine in surface water and groundwater samples has been developed. Caffeine is extracted from a 1 L water sample with a 0.5 g graphitized carbon-based solid-phase cartridge, eluted with methylene chloride-methanol (80 + 20, v/v), and analyzed by liquid chromatography with photodiode-array detection. The single-operator method detection limit for organic-free water samples was 0.02 ??g/L. Mean recoveries and relative standard deviations were 93 ?? 13% for organicfree water samples fortified at 0.04 ??g/L and 84 ?? 4% for laboratory reagent spikes fortified at 0.5 ??g/L. Environmental concentrations of caffeine ranged from 0.003 to 1.44 ??g/L in surface water samples and from 0.01 to 0.08 ??g/L in groundwater samples.

  17. Adaptive sampling strategies with high-throughput molecular dynamics

    Science.gov (United States)

    Clementi, Cecilia

    Despite recent significant hardware and software developments, the complete thermodynamic and kinetic characterization of large macromolecular complexes by molecular simulations still presents significant challenges. The high dimensionality of these systems and the complexity of the associated potential energy surfaces (creating multiple metastable regions connected by high free energy barriers) does not usually allow to adequately sample the relevant regions of their configurational space by means of a single, long Molecular Dynamics (MD) trajectory. Several different approaches have been proposed to tackle this sampling problem. We focus on the development of ensemble simulation strategies, where data from a large number of weakly coupled simulations are integrated to explore the configurational landscape of a complex system more efficiently. Ensemble methods are of increasing interest as the hardware roadmap is now mostly based on increasing core counts, rather than clock speeds. The main challenge in the development of an ensemble approach for efficient sampling is in the design of strategies to adaptively distribute the trajectories over the relevant regions of the systems' configurational space, without using any a priori information on the system global properties. We will discuss the definition of smart adaptive sampling approaches that can redirect computational resources towards unexplored yet relevant regions. Our approaches are based on new developments in dimensionality reduction for high dimensional dynamical systems, and optimal redistribution of resources. NSF CHE-1152344, NSF CHE-1265929, Welch Foundation C-1570.

  18. Microchip Immunoaffinity Electrophoresis of Antibody-Thymidine Kinase 1 Complex

    Science.gov (United States)

    Pagaduan, Jayson V.; Ramsden, Madison; O’Neill, Kim; Woolley, Adam T.

    2015-01-01

    Thymidine kinase-1 (TK1) is an important cancer biomarker whose serum levels are elevated in early cancer development. We developed a microchip electrophoresis immunoaffinity assay to measure recombinant purified TK1 (pTK1) using an antibody that binds to human TK1. We fabricated poly(methyl methacrylate) microfluidic devices to test the feasibility of detecting antibody (Ab)-pTK1 immune complexes as a step towards TK1 analysis in clinical serum samples. We were able to separate immune complexes from unbound antibodies using 0.5X phosphate buffer saline (pH 7.4) containing 0.01% Tween-20, with 1% w/v methylcellulose that acts as a dynamic surface coating and sieving matrix. Separation of the antibody and Ab-pTK1 complex was observed within a 5 mm effective separation length. This method of detecting pTK1 is easy to perform, requires only a 10 μL sample volume, and takes just 1 minute for separation. PMID:25486911

  19. Uranium and coexisting element behaviour in surface waters and associated sediments with varied sampling techniques used for uranium exploration

    International Nuclear Information System (INIS)

    Wenrich-Verbeek, K.J.

    1977-01-01

    Optimum sampling methods in surface water and associated sediments for use in uranium exploration are being studied at thirty sites in Colorado, New Mexico, Arizona and Utah. For water samples, filtering is recommended to increase sample homogeneity and reproducibility because for most elements studied water samples which were allowed to remain unfiltered until time of analysis contained higher concentrations than field-filtered samples of the same waters. Acidification of unfiltered samples resulted in still higher concentrations. This is predominantly because of leaching of the elements from the suspended fraction. U in water correslates directly with Ca, Mg, Na, K, Ba, B, Li and As. In stream sediments, U and other trace elements are concentrated in the finer size fractions. Accordingly, in prospecting, grain size fractions less than 90 μm (170 mesh) should be analyzed for U. A greater number of elements (21) show a significant positive correlation with U in stream sediments than in water. Results have revealed that anomalous concentrations of U found in water may not be detected in associated sediments and vice versa. Hence, sampling of both surface water and coexisting sediment is strongly recommended

  20. Effect of glutamic acid on copper sorption onto kaolinite. Batch experiments and surface complexation modeling

    Energy Technology Data Exchange (ETDEWEB)

    Karimzadeh, Lotfallah; Barthen, Robert; Gruendig, Marion; Franke, Karsten; Lippmann-Pipke, Johanna [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Reactive Transport; Stockmann, Madlen [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes

    2017-06-01

    In this work, we study the mobility behavior of Cu(II) under conditions related to an alternative, neutrophile biohydrometallurgical Cu(II) leaching approach. Sorption of copper onto kaolinite influenced by glutamic acid (Glu) was investigated in the presence of 0.01 M NaClO{sub 4} by means of binary and ternary batch adsorption measurements over a pH range of 4 to 9 and surface complexation modeling.

  1. Effect of glutamic acid on copper sorption onto kaolinite. Batch experiments and surface complexation modeling

    International Nuclear Information System (INIS)

    Karimzadeh, Lotfallah; Barthen, Robert; Gruendig, Marion; Franke, Karsten; Lippmann-Pipke, Johanna; Stockmann, Madlen

    2017-01-01

    In this work, we study the mobility behavior of Cu(II) under conditions related to an alternative, neutrophile biohydrometallurgical Cu(II) leaching approach. Sorption of copper onto kaolinite influenced by glutamic acid (Glu) was investigated in the presence of 0.01 M NaClO_4 by means of binary and ternary batch adsorption measurements over a pH range of 4 to 9 and surface complexation modeling.

  2. Investigations of surface-tension effects due to small-scale complex boundaries

    Science.gov (United States)

    Feng, Jiansheng

    these two different types of surfaces differed by about 50° ˜ 60°, with the low-adhesion surfaces at about 120° ˜ 130° and the high-adhesion surfaces at about 70° ˜ 80°. Characterizations of both the microscopic structures and macroscopic wetting properties of these product surfaces allowed us to pinpoint the structural features responsible for specific wetting properties. It is found that the advancing contact angle was mainly determined by the primary structures while the receding contact angle is largely affected by the side-wall slope of the secondary features. This study established a platform for further exploration of the structure aspects of surface wettability. In the third and final project (Chapter 4), we demonstrated a new type of microfluidic channel that enable asymmetric wicking of wetting fluids based on structure-induced direction-dependent surface-tension effect. By decorating the side-walls of open microfluidic channels with tilted fins, we were able to experimentally demonstrate preferential wicking behaviors of various IPA-water mixtures with a range of contact angles in these channels. A simplified 2D model was established to explain the wicking asymmetry, and a complete 3D model was developed to provide more accurate quantitative predictions. The design principles developed in this study provide an additional scheme for controlling the spreading of fluids. The research presented in this dissertation spreads out across a wide range of physical phenomena (wicking, wetting, and capillarity), and involves a number of computational and experimental techniques, yet all of these projects are intrinsically united under a common theme: we want to better understand how simple fluids respond to small-scale complex surface structures as manifestations of surface-tension effects. We hope our findings can serve as building blocks for a larger scale endeavor of scientific research and engineering development. After all, the pursue of knowledge is most

  3. Investigation of Plasma Etching for Superconducting RF Cavities Surface Preparation. Final Report

    International Nuclear Information System (INIS)

    Vuskovic, Leposava

    2009-01-01

    Our results show that plasma-treated samples are comparable or superior to a BCP sample, both in the size of features and sharpness of the boundaries between individual features at the surface. Plasma treatment of bulk Nb cavities is a promising technique for microwave cavities preparation used in particle acceleration application. Etching rates are sufficiently high to enable efficient removal of mechanically damaged surface layer with high reproducibility. No impurities are deposited on the bulk Nb surface during plasma treatment. Surface topology characteristic are promising for complex cavity geometry, since discharge conforms the profile of the reaction chamber. In view of these experimental results, we propose plasma treatment for producing microwave cavities with high Q factor instead of using bulk Nb treated with wet etching process.

  4. Contaminant Organic Complexes: Their Structure and Energetics in Surface Decontamination Processes

    International Nuclear Information System (INIS)

    Satish C. B. Myneni

    2005-01-01

    Siderophores are biological macromolecules (400-2000 Da) released by bacteria in iron limiting situations to sequester Fe from iron oxyhydroxides and silicates in the natural environment. These molecules contain hydroxamate and phenolate functional groups, and exhibit very high affinity for Fe 3+ . While several studies were conducted to understand the behavior of siderophores and their application to the metal sequestration and mineral dissolution, only a few of them have examined the molecular structure of siderophores and their interactions with metals and mineral surfaces in aqueous solutions. Improved understanding of the chemical state of different functional moieties in siderophores can assist in the application of these biological molecules in actinide separation, sequestration and decontamination processes. The focus of our research group is to evaluate the (a) functional group chemistry of selected siderophores and their metal complexes in aqueous solutions, and (b) the nature of siderophore interactions at the mineral-water interfaces. We selected desferrioxamine B (desB), a hydroxamate siderophore, and its small structural analogue, acetohydroxamic acid (aHa), for this investigation. We examined the functional group chemistry of these molecules as a function of pH, and their complexation with aqueous and solid phase Fe(III). For solid phase Fe, we synthesized all naturally occurring Fe(III)-oxyhydroxides (goethite, lepidocrocite, akaganeite, feroxyhite) and hematite. We also synthesized Fe-oxides (goethite and hematite) of different sizes to evaluate the influence of particle size on mineral dissolution kinetics. We used a series of molecular techniques to explore the functional group chemistry of these molecules and their complexes. Infrared spectroscopy is used to specifically identify the variations in oxime group as a function of pH and Fe(III) complexation. Resonance Raman spectroscopy was used to evaluate the nature of hydroxamate binding in the

  5. Anchored LH2 complexes in 2D polarization imaging.

    Science.gov (United States)

    Tubasum, Sumera; Sakai, Shunsuke; Dewa, Takehisa; Sundström, Villy; Scheblykin, Ivan G; Nango, Mamoru; Pullerits, Tõnu

    2013-09-26

    Protein is a soft material with inherently large structural disorder. Consequently, the bulk spectroscopies of photosynthetic pigment protein complexes provide averaged information where many details are lost. Here we report spectroscopy of single light-harvesting complexes where fluorescence excitation and detection polarizations are both independently rotated. Two samples of peripheral antenna (LH2) complexes from Rhodopseudomonas acidophila were studied. In one, the complexes were embedded in polyvinyl alcohol (PVA) film; in the other, they were anchored on the glass surface and covered by the PVA film. LH2 contains two rings of pigment molecules-B800 and B850. The B800 excitation polarization properties of the two samples were found to be very similar, indicating that orientation statistics of LH2s are the same in these two very different preparations. At the same time, we found a significant difference in B850 emission polarization statistics. We conclude that the B850 band of the anchored sample is substantially more disordered. We argue that both B800 excitation and B850 emission polarization properties can be explained by the tilt of the anchored LH2s due to the spin-casting of the PVA film on top of the complexes and related shear forces. Due to the tilt, the orientation statistics of two samples become similar. Anchoring is expected to orient the LH2s so that B850 is closer to the substrate. Consequently, the tilt-related strain leads to larger deformation and disorder in B850 than in B800.

  6. Surface plasmon resonance: advances of label-free approaches in the analysis of biological samples

    Czech Academy of Sciences Publication Activity Database

    Riedel, Tomáš; Majek, P.; Rodriguez-Emmenegger, Cesar; Brynda, Eduard

    2014-01-01

    Roč. 6, č. 24 (2014), s. 3325-3336 ISSN 1757-6180 R&D Projects: GA ČR(CZ) GBP205/12/G118; GA MŠk(CZ) EE2.3.30.0029; GA MŠk(CZ) ED1.1.00/02.0109 Institutional support: RVO:61389013 Keywords : surface plasmon resonance sensors * polymer brushes * human serum samples Subject RIV: CE - Biochemistry Impact factor: 3.003, year: 2014

  7. Gardening process of lunar surface layer inferred from the galactic cosmic-ray exposure ages of lunar samples

    International Nuclear Information System (INIS)

    Iriyama, Jun; Honda, Masatake.

    1979-01-01

    From the cosmic-ray exposure age data, (time scale 10 7 - 10 8 years), of the lunar surface materials, we discuss the gardening process of the lunar surface layer caused by the meteoroid impact cratering. At steady state, it is calculated that, in the region within 10 - 50 m of the surface, a mixing rate of 10 -4 to 10 -5 mm/yr is necessary to match the exposure ages. Observed exposure ages of the lunar samples could be explained by the gardening effect calculated using a crater formation rate which is slightly modified from the current crater population data. (author)

  8. Surface complexation modeling of U(VI) sorption on GMZ bentonite in the presence of fulvic acid

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Jie [Lanzhou Univ. (China). Radiochemistry Laboratory; Ministry of Industry and Information Technology, Guangzhou (China). The 5th Electronics Research Inst.; Luo, Daojun [Ministry of Industry and Information Technology, Guangzhou (China). The 5th Electronics Research Inst.; Qiao, Yahua; Wang, Liang; Zhang, Chunming [Ministry of Environmental Protection, Beijing (China). Nuclear and Radiation Safety Center; Wu, Wangsuo [Lanzhou Univ. (China). Radiochemistry Laboratory; Ye, Yuanlv [Ministry of Environmental Protection, Beijing (China). Nuclear and Radiation Safety Center; Lanzhou Univ. (China). Radiochemistry Laboratory

    2017-03-01

    In this work, experiments and modeling for the interactions between uranyl ion and GMZ bentonite in the presence of fulvic acid are presented. The results demonstrated that FA is strongly bound to GMZ bentonite, and these molecules have a very large effect on the U(VI) sorption. The results also demonstrated that U(VI) sorption to GMZ bentonite in the presence and absence of sorbed FA can be well predicted by combining SHM and DLM. According to the model calculations, the nature of the interactions between FA with U(VI) at GMZ bentonite surface is mainly surface complex. The first attempt to simulate clay interaction with humus by the SHM model.

  9. Assessment of natural radium isotopes and 222Rn in water samples from Cananeia-Iguape estuarine complex, Sao Paulo, Brazil

    International Nuclear Information System (INIS)

    Oliveira, Joselene de; Jesus, Sueli Carvalho de; Abrahao, Fernanda Franco; Santos, Glorivania Ferreira dos; Braga, Elisabete de Santis; Chiozzini, Vitor

    2009-01-01

    Radium isotopes and radon are among the most important natural radionuclides in the environment from both radioprotection and geo-hydrological points of view. These radionuclides are a powerful tool for studying coastal processes and have been used intensively as tracers of groundwater sources that discharge into the ocean. In this paper, naturally occurring radium isotopes and 222 Rn were determined to trace water exchange and SGD in Cananeia-Iguape estuarine complex, a shallow coastal plain estuary in southern Sao Paulo area. The research work was carried out during the first semester of 2009 and covered stations located both in Cananeia and Iguape outlets, as well as samples collected in Ribeira of Iguape River and groundwater. Activity concentrations of 226 Ra in estuarine waters from Cananeia outlet varied from 2.9 mBq L -1 to 4.7 mBq L -1 , while 228 Ra concentrations ranged from 22 mBq L -1 to 45 mBq L -1 . In Iguape outlet, activities of 226 Ra ranged from 1.6 mBq L -1 to 6.6 mBq L -1 ; 228 Ra varied from 13 mBq L -1 to 20 mBq L -1 . Activities of Ra were slightly higher in samples collected at 5 m depth than at the surface water level. Groundwater activity concentrations of 226 Ra ranged from 0.63 mBq L -1 to 12 mBq L -1 and for 228 Ra from 18 mBq L -1 to 39 mBq L -1 . In groundwater, the 228 Ra/ 226 Ra activity ratios varied from 3.3 to 31.7. 222 Rn activities in groundwater up to 747 Bq L -1 were observed. Increased nitrate contents were observed in groundwater samples collected in Cananeia and Comprida Island. (author)

  10. Complex conductivity of organic-rich shales

    Science.gov (United States)

    Woodruff, W. F.; Revil, A.; Torres-Verdin, C.

    2013-12-01

    components of the formation factor and connectivity (tortuosity) tensors Fij and Tij (affecting the bulk and surface conductivity, respectively) are correlated as Fij=TijΦ. Both conductivity and connectivity tensors share the same eigenvectors; the anisotropy ratio is equivalent in TI media. At high pore water salinity, surface and quadrature conductivity share the same bulk tortuosity; when surface conductivity dominates (low salinity), conductivity is controlled by the surface conductance, and the tortuosity of electrical current along mineral surfaces usually higher than that of the pore water. We developed two distinct SIP measurement protocols to obtain the tensor: (1) azimuthal sampling and inversion of phasor potentials through the full-field solution of the Laplace equation; (2) direct measurement of complex conductivity eigenvalues by polarized, single-component stimulus current. Experiments also include unsaturated and saturated measurements with three brines of known salinity and pH, at log-distributed frequencies ranging 1 mHz to 45 kHz. Both azimuthal spectra and eigenvalue spectra validate the theoretical model and illustrate the effectiveness of the protocols themselves. We obtain the textural tensors and invert key parameters including Archie exponents and CEC, and characterize the relaxation phenomena associated with kerogen content and maturity for multiphase fluid systems.

  11. Possible Overestimation of Surface Disinfection Efficiency by Assessment Methods Based on Liquid Sampling Procedures as Demonstrated by In Situ Quantification of Spore Viability ▿

    Science.gov (United States)

    Grand, I.; Bellon-Fontaine, M.-N.; Herry, J.-M.; Hilaire, D.; Moriconi, F.-X.; Naïtali, M.

    2011-01-01

    The standard test methods used to assess the efficiency of a disinfectant applied to surfaces are often based on counting the microbial survivors sampled in a liquid, but total cell removal from surfaces is seldom achieved. One might therefore wonder whether evaluations of microbial survivors in liquid-sampled cells are representative of the levels of survivors in whole populations. The present study was thus designed to determine the “damaged/undamaged” status induced by a peracetic acid disinfection for Bacillus atrophaeus spores deposited on glass coupons directly on this substrate and to compare it to the status of spores collected in liquid by a sampling procedure. The method utilized to assess the viability of both surface-associated and liquid-sampled spores included fluorescence labeling with a combination of Syto 61 and Chemchrome V6 dyes and quantifications by analyzing the images acquired by confocal laser scanning microscopy. The principal result of the study was that the viability of spores sampled in the liquid was found to be poorer than that of surface-associated spores. For example, after 2 min of peracetic acid disinfection, less than 17% ± 5% of viable cells were detected among liquid-sampled cells compared to 79% ± 5% or 47% ± 4%, respectively, when the viability was evaluated on the surface after or without the sampling procedure. Moreover, assessments of the survivors collected in the liquid phase, evaluated using the microscopic method and standard plate counts, were well correlated. Evaluations based on the determination of survivors among the liquid-sampled cells can thus overestimate the efficiency of surface disinfection procedures. PMID:21742922

  12. GEOQUIMICO : an interactive tool for comparing sorption conceptual models (surface complexation modeling versus K[D])

    International Nuclear Information System (INIS)

    Hammond, Glenn E.; Cygan, Randall Timothy

    2007-01-01

    Within reactive geochemical transport, several conceptual models exist for simulating sorption processes in the subsurface. Historically, the K D approach has been the method of choice due to ease of implementation within a reactive transport model and straightforward comparison with experimental data. However, for modeling complex sorption phenomenon (e.g. sorption of radionuclides onto mineral surfaces), this approach does not systematically account for variations in location, time, or chemical conditions, and more sophisticated methods such as a surface complexation model (SCM) must be utilized. It is critical to determine which conceptual model to use; that is, when the material variation becomes important to regulatory decisions. The geochemical transport tool GEOQUIMICO has been developed to assist in this decision-making process. GEOQUIMICO provides a user-friendly framework for comparing the accuracy and performance of sorption conceptual models. The model currently supports the K D and SCM conceptual models. The code is written in the object-oriented Java programming language to facilitate model development and improve code portability. The basic theory underlying geochemical transport and the sorption conceptual models noted above is presented in this report. Explanations are provided of how these physicochemical processes are instrumented in GEOQUIMICO and a brief verification study comparing GEOQUIMICO results to data found in the literature is given

  13. Air and Surface Sampling Method for Assessing Exposures to Quaternary Ammonium Compounds Using Liquid Chromatography Tandem Mass Spectrometry.

    Science.gov (United States)

    LeBouf, Ryan F; Virji, Mohammed Abbas; Ranpara, Anand; Stefaniak, Aleksandr B

    2017-07-01

    This method was designed for sampling select quaternary ammonium (quat) compounds in air or on surfaces followed by analysis using ultraperformance liquid chromatography tandem mass spectrometry. Target quats were benzethonium chloride, didecyldimethylammonium bromide, benzyldimethyldodecylammonium chloride, benzyldimethyltetradecylammonium chloride, and benzyldimethylhexadecylammonium chloride. For air sampling, polytetrafluoroethylene (PTFE) filters are recommended for 15-min to 24-hour sampling. For surface sampling, Pro-wipe® 880 (PW) media was chosen. Samples were extracted in 60:40 acetonitrile:0.1% formic acid for 1 hour on an orbital shaker. Method detection limits range from 0.3 to 2 ng/ml depending on media and analyte. Matrix effects of media are minimized through the use of multiple reaction monitoring versus selected ion recording. Upper confidence limits on accuracy meet the National Institute for Occupational Safety and Health 25% criterion for PTFE and PW media for all analytes. Using PTFE and PW analyzed with multiple reaction monitoring, the method quantifies levels among the different quats compounds with high precision (detection limits to capture quats on air sampling filters with only a 15-min sample duration with a maximum assessed storage time of 103 days before sample extraction. This method will support future exposure assessment and quantitative epidemiologic studies to explore exposure-response relationships and establish levels of quats exposures associated with adverse health effects. © The Author 2017. Published by Oxford University Press on behalf of the British Occupational Hygiene Society.

  14. Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations.

    Science.gov (United States)

    Glatz, Brittany; Sarupria, Sapna

    2018-01-23

    Ice is ubiquitous in nature, and heterogeneous ice nucleation is the most common pathway of ice formation. How surface properties affect the propensity to observe ice nucleation on that surface remains an open question. We present results of molecular dynamics studies of heterogeneous ice nucleation on model surfaces. The models surfaces considered emulate the chemistry of kaolinite, an abundant component of mineral dust. We investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching and hydrogen bonding are necessary but not sufficient conditions for observing ice nucleation at these surfaces. We correlate this behavior to the orientations sampled by the metastable supercooled water in contact with the surfaces. We find that ice is observed in cases where water molecules not only sample orientations favorable for bilayer formation but also do not sample unfavorable orientations. This distribution depends on both surface-water and water-water interactions and can change with subtle modifications to the surface properties. Our results provide insights into the diverse behavior of ice nucleation observed at different surfaces and highlight the complexity in elucidating heterogeneous ice nucleation.

  15. Yield surface evolution for columnar ice

    Science.gov (United States)

    Zhou, Zhiwei; Ma, Wei; Zhang, Shujuan; Mu, Yanhu; Zhao, Shunpin; Li, Guoyu

    A series of triaxial compression tests, which has capable of measuring the volumetric strain of the sample, were conducted on columnar ice. A new testing approach of probing the experimental yield surface was performed from a single sample in order to investigate yield and hardening behaviors of the columnar ice under complex stress states. Based on the characteristic of the volumetric strain, a new method of defined the multiaxial yield strengths of the columnar ice is proposed. The experimental yield surface remains elliptical shape in the stress space of effective stress versus mean stress. The effect of temperature, loading rate and loading path in the initial yield surface and deformation properties of the columnar ice were also studied. Subsequent yield surfaces of the columnar ice have been explored by using uniaxial and hydrostatic paths. The evolution of the subsequent yield surface exhibits significant path-dependent characteristics. The multiaxial hardening law of the columnar ice was established experimentally. A phenomenological yield criterion was presented for multiaxial yield and hardening behaviors of the columnar ice. The comparisons between the theoretical and measured results indicate that this current model is capable of giving a reasonable prediction for the multiaxial yield and post-yield properties of the columnar ice subjected to different temperature, loading rate and path conditions.

  16. chemical and microbiological assessment of surface water samples

    African Journals Online (AJOL)

    PROF EKWUEME

    concentrations and bacteriological content. Evaluation of the results ... and Aninri local government areas of Enugu state. Surface water ... surface water bodies are prone to impacts from ... Coal Measures (Akamigbo, 1987). The geologic map ...

  17. High-resolution AFM topographs of Rubrivivax gelatinosus light-harvesting complex LH2

    Science.gov (United States)

    Scheuring, Simon; Reiss-Husson, Francoise; Engel, Andreas; Rigaud, Jean-Louis; Ranck, Jean-Luc

    2001-01-01

    Light-harvesting complexes 2 (LH2) are the accessory antenna proteins in the bacterial photosynthetic apparatus and are built up of αβ-heterodimers containing three bacteriochlorophylls and one carotenoid each. We have used atomic force microscopy (AFM) to investigate reconstituted LH2 from Rubrivivax gelatinosus, which has a C-terminal hydrophobic extension of 21 amino acids on the α-subunit. High-resolution topographs revealed a nonameric organization of the regularly packed cylindrical complexes incorporated into the membrane in both orientations. Native LH2 showed one surface which protruded by ∼6 Å and one that protruded by ∼14 Å from the membrane. Topographs of samples reconstituted with thermolysin-digested LH2 revealed a height reduction of the strongly protruding surface to ∼9 Å, and a change of its surface appearance. These results suggested that the α-subunit of R.gelatinosus comprises a single transmembrane helix and an extrinsic C-terminus, and allowed the periplasmic surface to be assigned. Occasionally, large rings (∼120 Å diameter) surrounded by LH2 rings were observed. Their diameter and appearance suggest the large rings to be LH1 complexes. PMID:11406579

  18. Host-guest chemistry of dendrimer-drug complexes. 2. Effects of molecular properties of guests and surface functionalities of dendrimers.

    Science.gov (United States)

    Hu, Jingjing; Cheng, Yiyun; Wu, Qinglin; Zhao, Libo; Xu, Tongwen

    2009-08-06

    The host-guest chemistry of dendrimer-drug complexes is investigated by NMR techniques, including (1)H NMR and 2D-NOESY studies. The effects of molecular properties of drug molecules (protonation ability and spatial steric hindrance of charged groups) and surface functionalities of dendrimers (positively charged amine groups and negatively charged carboxylate groups) on the host-guest interactions are discussed. Different interaction mechanisms between dendrimers and drug molecules are proposed on the basis of NMR results. Primary amine- and secondary amine-containing drugs preferentially bind to negatively charged dendrimers by strong electrostatic interactions, whereas tertiary amine and quaternary ammonium-containing drugs have weak binding ability with dendrimers due to relatively low protonation ability of the tertiary amine group and serious steric hindrance of the quaternary ammonium group. Positively charged drugs locate only on the surface of negatively charged dendrimers, whereas negatively charged drugs locate both on the surface and in the interior cavities of positively charged dendrimers. The host-guest chemistry of dendrimer-drug complexes is promising for the development of new drug delivery systems.

  19. Separation and preconcentration of copper in environmental samples on Amberlite XAD-8 resin after complexation with a carbothioamide derivative

    Directory of Open Access Journals (Sweden)

    Hamide Elvan

    2013-01-01

    Full Text Available A new solid phase extraction (SPE method has been developed for the selective separation and preconcentration of Cu (II ions in food and water samples prior to its flame atomic absorption spectrometry determination. The method is based on the adsorption of the Cu(II - 2-{[4-Amino-3-(4-methylphenyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-phenyl hydrazinecarbothioamide complex on Amberlite XAD-8 resin. The metal complex retained on the resin was eluted with 7.5 mL of 2.0 mol L-1 HCl in acetone. The optimum conditions for the SPE of Cu(II ions were investigated, and the method was subsequently applied to sea water, stream water, rice, tea, and tobacco samples for the determination of Cu(II levels.

  20. Refined ab initio intermolecular ground-state potential energy surface for the He-C2H2 van der Waals complex

    DEFF Research Database (Denmark)

    Fernández, Berta; Henriksen, Christian; Farrelly, David

    2013-01-01

    A refined CCSD(T) intermolecular potential energy surface is developed for the He-C2H2 van der Waals complex. For this, 206 points on the intermolecular potential energy surface, evaluated using the CCSD(T) method and the aug-cc-pVQZ basis set extended with a set of 3s3p2d1f1g midbond functions...

  1. Surface Relief of Mapping

    Science.gov (United States)

    Costa, Manuel F.; Almeida, Jose B.

    1989-02-01

    We will describe in this communication a noncont act method of measuring surface profile, it does not require any surface preparation, and it can be used with a very large range of surfaces from highly reflecting to non reflecting ones and as complex as textile surfaces. This method is reasonably immune to dispersion and diffraction, which usually make very difficult the application of non contact profilometry methods to a wide range of materials and situations, namely on quality control systems in industrial production lines. The method is based on the horizontal shift of the bright spot on a horizontal surface when this is illuminated with an oblique beam and moved vertically. in order to make the profilometry the sample is swept by an oblique light beam and the bright spot position is compared with a reference position. The bright spot must be as small as possible, particularly in very irregular surfaces; so the light beam diameter must be as small as possible and the incidence angle must not be too small. The sensivity of a system based on this method will be given, mostly, by the reception optical system.

  2. Stability of engineered nanomaterials in complex aqueous matrices: Settling behaviour of CeO{sub 2} nanoparticles in natural surface waters

    Energy Technology Data Exchange (ETDEWEB)

    Van Koetsem, Frederik, E-mail: Frederik.VanKoetsem@UGent.be [Laboratory of Analytical Chemistry and Applied Ecochemistry, Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent (Belgium); Verstraete, Simon [Laboratory of Analytical Chemistry and Applied Ecochemistry, Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent (Belgium); Van der Meeren, Paul [Particle and Interfacial Technology Group, Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent (Belgium); Du Laing, Gijs, E-mail: Gijs.DuLaing@UGent.be [Laboratory of Analytical Chemistry and Applied Ecochemistry, Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent (Belgium)

    2015-10-15

    The stability of engineered nanoparticles (ENPs) in complex aqueous matrices is a key determinant of their fate and potential toxicity towards the aquatic environment and human health. Metal oxide nanoparticles, such as CeO{sub 2} ENPs, are increasingly being incorporated into a wide range of industrial and commercial applications, which will undoubtedly result in their (unintentional) release into the environment. Hereby, the behaviour and fate of CeO{sub 2} ENPs could potentially serve as model for other nanoparticles that possess similar characteristics. The present study examined the stability and settling of CeO{sub 2} ENPs (7.3±1.4 nm) as well as Ce{sup 3+} ions in 10 distinct natural surface waters during 7 d, under stagnant and isothermal experimental conditions. Natural water samples were collected throughout Flanders (Belgium) and were thoroughly characterized. For the majority of the surface waters, a substantial depletion (>95%) of the initially added CeO{sub 2} ENPs was observed just below the liquid surface of the water samples after 7 d. In all cases, the reduction was considerably higher for CeO{sub 2} ENPs than for Ce{sup 3+} ions (<68%). A first-order kinetics model was able to describe the observed time-dependant removal of both CeO{sub 2} ENPs (R{sup 2}≥0.998) and Ce{sup 3+} ions (R{sup 2}≥0.812) from the water column, at least in case notable sedimentation occurred over time. Solution-pH appeared to be a prime parameter governing nanoparticle colloidal stability. Moreover, the suspended solids (TSS) content also seemed to be an important factor affecting the settling rate and residual fraction of CeO{sub 2} ENPs as well as Ce{sup 3+} ions in natural surface waters. Correlation results also suggest potential association and co-precipitation of CeO{sub 2} ENPs with aluminium- and iron-containing natural colloidal material. The CeO{sub 2} ENPs remained stable in dispersion in surface water characterized by a low pH, ionic strength (IS), and

  3. Groundwater and surface-water interaction and effects of pumping in a complex glacial-sediment aquifer, phase 2, east-central Massachusetts

    Science.gov (United States)

    Eggleston, Jack R.; Zarriello, Phillip J.; Carlson, Carl S.

    2015-12-31

    The U.S. Geological Survey, in cooperation with the Town of Framingham, Massachusetts, has investigated the potential of proposed groundwater withdrawals at the Birch Road well site to affect nearby surface water bodies and wetlands, including Lake Cochituate, the Sudbury River, and the Great Meadows National Wildlife Refuge in east-central Massachusetts. In 2012, the U.S. Geological Survey developed a Phase 1 numerical groundwater model of a complex glacial-sediment aquifer to synthesize hydrogeologic information and simulate potential future pumping scenarios. The model was developed with MODFLOW-NWT, an updated version of a standard USGS numerical groundwater flow modeling program that improves solution of unconfined groundwater flow problems. The groundwater model and investigations of the aquifer improved understanding of groundwater–surface-water interaction and the effects of groundwater withdrawals on surface-water bodies and wetlands in the study area. The initial work also revealed a need for additional information and model refinements to better understand this complex aquifer system.

  4. Quantitative Analysis of Organophosphate and Pyrethroid Insecticides, PyrethroidTransformation Products, Polybrominated Diphenyl Ethers and Bisphenol A in Residential Surface Wipe Samples

    Science.gov (United States)

    Surface wipe sampling is a frequently used technique for measuring persistent pollutants in residential environments. One characteristic of this form of sampling is the need to extract the entire wipe sample to achieve adequate sensitivity and to ensure representativeness. Most s...

  5. Effect of Heat Treatment on the Surface Properties of Activated Carbons

    Directory of Open Access Journals (Sweden)

    Meriem Belhachemi

    2011-01-01

    Full Text Available This work reports the effect of heat treatment on the porosity and surface chemistry of two series of activated carbons prepared from a local agricultural biomass material, date pits, by physical activation with carbon dioxide and steam. Both series samples were oxidized with nitric acid and subsequently heat treated under N2 at 973 K in order to study the effect of these treatments in porosity and surface functional groups of activated carbons. When the activated carbons were heat treated after oxidation the surface area and the pore volume increase for both activated carbons prepared by CO2 and steam activations. However the amount of surface oxygen complexes decreases, the samples keep the most stable oxygen surface groups evolved as CO by temperature-programmed desorption experiments at high temperature. The results show that date pits can be used as precursors to produce activated carbons with a well developed porosity and tailored oxygen surface groups.

  6. Solid-Phase Extraction Strategies to Surmount Body Fluid Sample Complexity in High-Throughput Mass Spectrometry-Based Proteomics

    Science.gov (United States)

    Bladergroen, Marco R.; van der Burgt, Yuri E. M.

    2015-01-01

    For large-scale and standardized applications in mass spectrometry- (MS-) based proteomics automation of each step is essential. Here we present high-throughput sample preparation solutions for balancing the speed of current MS-acquisitions and the time needed for analytical workup of body fluids. The discussed workflows reduce body fluid sample complexity and apply for both bottom-up proteomics experiments and top-down protein characterization approaches. Various sample preparation methods that involve solid-phase extraction (SPE) including affinity enrichment strategies have been automated. Obtained peptide and protein fractions can be mass analyzed by direct infusion into an electrospray ionization (ESI) source or by means of matrix-assisted laser desorption ionization (MALDI) without further need of time-consuming liquid chromatography (LC) separations. PMID:25692071

  7. Sample handling in surface sensitive chemical and biological sensing: a practical review of basic fluidics and analyte transport.

    Science.gov (United States)

    Orgovan, Norbert; Patko, Daniel; Hos, Csaba; Kurunczi, Sándor; Szabó, Bálint; Ramsden, Jeremy J; Horvath, Robert

    2014-09-01

    This paper gives an overview of the advantages and associated caveats of the most common sample handling methods in surface-sensitive chemical and biological sensing. We summarize the basic theoretical and practical considerations one faces when designing and assembling the fluidic part of the sensor devices. The influence of analyte size, the use of closed and flow-through cuvettes, the importance of flow rate, tubing length and diameter, bubble traps, pressure-driven pumping, cuvette dead volumes, and sample injection systems are all discussed. Typical application areas of particular arrangements are also highlighted, such as the monitoring of cellular adhesion, biomolecule adsorption-desorption and ligand-receptor affinity binding. Our work is a practical review in the sense that for every sample handling arrangement considered we present our own experimental data and critically review our experience with the given arrangement. In the experimental part we focus on sample handling in optical waveguide lightmode spectroscopy (OWLS) measurements, but the present study is equally applicable for other biosensing technologies in which an analyte in solution is captured at a surface and its presence is monitored. Explicit attention is given to features that are expected to play an increasingly decisive role in determining the reliability of (bio)chemical sensing measurements, such as analyte transport to the sensor surface; the distorting influence of dead volumes in the fluidic system; and the appropriate sample handling of cell suspensions (e.g. their quasi-simultaneous deposition). At the appropriate places, biological aspects closely related to fluidics (e.g. cellular mechanotransduction, competitive adsorption, blood flow in veins) are also discussed, particularly with regard to their models used in biosensing. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Chirality of weakly bound complexes: The potential energy surfaces for the hydrogen-peroxide−noble-gas interactions

    Energy Technology Data Exchange (ETDEWEB)

    Roncaratti, L. F., E-mail: lz@fis.unb.br; Leal, L. A.; Silva, G. M. de [Instituto de Física, Universidade de Brasília, 70910 Brasília (Brazil); Pirani, F. [Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Aquilanti, V. [Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Instituto de Física, Universidade Federal da Bahia, 40210 Salvador (Brazil); Gargano, R. [Instituto de Física, Universidade de Brasília, 70910 Brasília (Brazil); Departments of Chemistry and Physics, University of Florida, Quantum Theory Project, Gainesville, Florida 32611 (United States)

    2014-10-07

    We consider the analytical representation of the potential energy surfaces of relevance for the intermolecular dynamics of weakly bound complexes of chiral molecules. In this paper we study the H{sub 2}O{sub 2}−Ng (Ng=He, Ne, Ar, Kr, and Xe) systems providing the radial and the angular dependence of the potential energy surface on the relative position of the Ng atom. We accomplish this by introducing an analytical representation which is able to fit the ab initio energies of these complexes in a wide range of geometries. Our analysis sheds light on the role that the enantiomeric forms and the symmetry of the H{sub 2}O{sub 2} molecule play on the resulting barriers and equilibrium geometries. The proposed theoretical framework is useful to study the dynamics of the H{sub 2}O{sub 2} molecule, or other systems involving O–O and S–S bonds, interacting by non-covalent forces with atoms or molecules and to understand how the relative orientation of the O–H bonds changes along collisional events that may lead to a hydrogen bond formation or even to selectivity in chemical reactions.

  9. X-ray fluorescence investigation of heavy-metal contamination on metal surfaces in the Pilot Plant Complex, Aberdeen Proving Ground, Maryland

    Energy Technology Data Exchange (ETDEWEB)

    Brubaker, K.L.; Draugelis, A.K.; Schneider, J.F.; Billmark, K.A.; Zimmerman, R.E.

    1995-07-01

    A field program using a portable x-ray fluorescence (XRF) instrument was carried out to obtain data on loadings of RCRA-regulated heavy metals in paint on metal surfaces within the Pilot Plant Complex at Aberdeen Proving Ground, Maryland. Measured loadings of heavy metals were sufficiently small that they do not present problems for either human exposure or the disposition of building demolition rubble. An attempt to develop an external calibration of the XRF instrument for cadmium, chromium, and lead was unsuccessful. Significant substrate effects were observed for cadmium and chromium; for accurate results for these elements, it appears necessary to calibrate by using a sample of the actual metal substrate on which the paint is located. No substrate effects were observed for lead, but the use of lead L-shell x-ray emission lines in the instrument mode utilized in this study appears to result in a significant underestimate of the lead loading due to self-absorption of these emissions.

  10. Sample displacement chromatography as a method for purification of proteins and peptides from complex mixtures

    Science.gov (United States)

    Gajdosik, Martina Srajer; Clifton, James; Josic, Djuro

    2012-01-01

    Sample displacement chromatography (SDC) in reversed-phase and ion-exchange modes was introduced approximately twenty years ago. This method takes advantage of relative binding affinities of components in a sample mixture. During loading, there is a competition among different sample components for the sorption on the surface of the stationary phase. SDC was first used for the preparative purification of proteins. Later, it was demonstrated that this kind of chromatography can also be performed in ion-exchange, affinity and hydrophobic-interaction mode. It has also been shown that SDC can be performed on monoliths and membrane-based supports in both analytical and preparative scale. Recently, SDC in ion-exchange and hydrophobic interaction mode was also employed successfully for the removal of trace proteins from monoclonal antibody preparations and for the enrichment of low abundance proteins from human plasma. In this review, the principals of SDC are introduced, and the potential for separation of proteins and peptides in micro-analytical, analytical and preparative scale is discussed. PMID:22520159

  11. Geochemical signature of land-based activities in Caribbean coral surface samples

    Science.gov (United States)

    Prouty, N.G.; Hughen, K.A.; Carilli, J.

    2008-01-01

    Anthropogenic threats, such as increased sedimentation, agrochemical run-off, coastal development, tourism, and overfishing, are of great concern to the Mesoamerican Caribbean Reef System (MACR). Trace metals in corals can be used to quantify and monitor the impact of these land-based activities. Surface coral samples from the MACR were investigated for trace metal signatures resulting from relative differences in water quality. Samples were analyzed at three spatial scales (colony, reef, and regional) as part of a hierarchical multi-scale survey. A primary goal of the paper is to elucidate the extrapolation of information between fine-scale variation at the colony or reef scale and broad-scale patterns at the regional scale. Of the 18 metals measured, five yielded statistical differences at the colony and/or reef scale, suggesting fine-scale spatial heterogeneity not conducive to regional interpretation. Five metals yielded a statistical difference at the regional scale with an absence of a statistical difference at either the colony or reef scale. These metals are barium (Ba), manganese (Mn), chromium (Cr), copper (Cu), and antimony (Sb). The most robust geochemical indicators of land-based activities are coral Ba and Mn concentrations, which are elevated in samples from the southern region of the Gulf of Honduras relative to those from the Turneffe Islands. These findings are consistent with the occurrence of the most significant watersheds in the MACR from southern Belize to Honduras, which contribute sediment-laden freshwater to the coastal zone primarily as a result of human alteration to the landscape (e.g., deforestation and agricultural practices). Elevated levels of Cu and Sb were found in samples from Honduras and may be linked to industrial shipping activities where copper-antimony additives are commonly used in antifouling paints. Results from this study strongly demonstrate the impact of terrestrial runoff and anthropogenic activities on coastal water

  12. Structural complexity and land-surface energy exchange along a gradient from arctic tundra to boreal forest

    Science.gov (United States)

    Thompson, C.; Beringer, J.; Chapin, F. S.; McGuire, A.D.

    2004-01-01

    Question: Current climate changes in the Alaskan Arctic, which are characterized by increases in temperature and length of growing season, could alter vegetation structure, especially through increases in shrub cover or the movement of treeline. These changes in vegetation structure have consequences for the climate system. What is the relationship between structural complexity and partitioning of surface energy along a gradient from tundra through shrub tundra to closed canopy forest? Location: Arctic tundra-boreal forest transition in the Alaskan Arctic. Methods: Along this gradient of increasing canopy complexity, we measured key vegetation characteristics, including community composition, biomass, cover, height, leaf area index and stem area index. We relate these vegetation characteristics to albedo and the partitioning of net radiation into ground, latent, and sensible heating fluxes. Results: Canopy complexity increased along the sequence from tundra to forest due to the addition of new plant functional types. This led to non-linear changes in biomass, cover, and height in the understory. The increased canopy complexity resulted in reduced ground heat fluxes, relatively conserved latent heat fluxes and increased sensible heat fluxes. The localized warming associated with increased sensible heating over more complex canopies may amplify regional warming, causing further vegetation change in the Alaskan Arctic.

  13. Confirmation of vanadium complex formation using electrospray mass spectrometry and determination of vanadium speciation by sample stacking capillary electrophoresis

    International Nuclear Information System (INIS)

    Chen Zuliang; Owens, Gary; Naidu, Ravendra

    2007-01-01

    Capillary zone electrophoresis (CZE) with UV detection was used to determine vanadium species. Nitrilotriacetic acid (NTA), hydroxyethylethylenediaminetriacetic acid (HEDTA), ethylenediaminetetraacetic acid (EDTA), diethylenetriaminepentaacetic acid (DTPA), ethylene glycol-bis(2-aminoethylether)-tetraacetic acid (EGTA) and 2,6-pyridinedicarboxylic acid (PDCA) were investigated to determine whether these ligands formed stable anionic complexes with vanadium. Of all the ligands studied HEDTA was the most suitable ligand because it gave the largest UV response with reasonable migration time. Electrospray mass spectrometry (ES-MS) was used to confirm the formation of [VO 2 (HEDTA)] 2- and [VO(HEDTA)] 1- in solution. An electrolyte containing 25 mM phosphate, 0.25 mM tetradecyltrimethylammonium bromide (TTAB) at pH 5.5 was optimum for the separation of these anionic vanadium complexes. Sample stacking techniques, including large-volume sample stacking (LVSS) and field-amplified sample injection (FASI), were tested to improve the sensitivity. Best sensitivity was obtained using FASI, with detection limits of 0.001 μM, equivalent to 0.4 μg L -1 , for [VO 2 (HEDTA)] 2- and 0.01 μM, equivalent to 3.4 μg L -1 for [VO(HEDTA)] 1- . The utility of the method for the speciation of V(IV) and V(V) was demonstrated using ground water samples

  14. Laser ablation: Laser parameters: Frequency, pulse length, power, and beam charter play significant roles with regard to sampling complex samples for ICP/MS analysis

    International Nuclear Information System (INIS)

    Smith, M.R.; Alexander, M.L.; Hartman, J.S.; Koppenaal, D.W.

    1996-01-01

    Inductively coupled plasma mass spectrometry is used to investigate the influence of laser parameters with regard to sampling complex matrices ranging from relatively homogenous glasses to multi-phase sludge/slurry materials including radioactive Hanford tank waste. The resulting plume composition caused by the pulsed laser is evaluated as a function of wavelength, pulse energy, pulse length, focus, and beam power profiles. The author's studies indicate that these parameters play varying and often synergistic roles regarding quantitative results. (In a companion paper, particle transport and size distribution studies are presented.) The work described here will illustrate other laser parameters such as focusing and consequently power density and beam power profiles which are shown to influence precision and accuracy. Representative sampling by the LA approach is largely dependent on the sample's optical properties as well as laser parameters. Experimental results indicate that optimal laser parameters; short wavelength (UV), relatively low power (300 mJ), low-to-sub ns pulse lengths, and laser beams with reasonable power distributions (i.e., Gaussian or top-hat beam profiles) provide superior precision and accuracy. Remote LA-ICP/MS analyses of radioactive sludges are used to illustrate these optimal conditions laser ablation sampling

  15. 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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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 IC_5_0 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. - Highlights: • The proposed ICT was able to directly detect Hg"2"+ without formation of Hg"2"+-ligand complex. • The proposed ICT exhibited high sensitivity, specificity, stability, precision and accuracy for Hg"2"+ detection. • The proposed ICT was applicable for the detection of trace amount of Hg"2"+ in water, human serum and urine samples.

  16. Extracting Hydrologic Understanding from the Unique Space-time Sampling of the Surface Water and Ocean Topography (SWOT) Mission

    Science.gov (United States)

    Nickles, C.; Zhao, Y.; Beighley, E.; Durand, M. T.; David, C. H.; Lee, H.

    2017-12-01

    The Surface Water and Ocean Topography (SWOT) satellite mission is jointly developed by NASA, the French space agency (CNES), with participation from the Canadian and UK space agencies to serve both the hydrology and oceanography communities. The SWOT mission will sample global surface water extents and elevations (lakes/reservoirs, rivers, estuaries, oceans, sea and land ice) at a finer spatial resolution than is currently possible enabling hydrologic discovery, model advancements and new applications that are not currently possible or likely even conceivable. Although the mission will provide global cover, analysis and interpolation of the data generated from the irregular space/time sampling represents a significant challenge. In this study, we explore the applicability of the unique space/time sampling for understanding river discharge dynamics throughout the Ohio River Basin. River network topology, SWOT sampling (i.e., orbit and identified SWOT river reaches) and spatial interpolation concepts are used to quantify the fraction of effective sampling of river reaches each day of the three-year mission. Streamflow statistics for SWOT generated river discharge time series are compared to continuous daily river discharge series. Relationships are presented to transform SWOT generated streamflow statistics to equivalent continuous daily discharge time series statistics intended to support hydrologic applications using low-flow and annual flow duration statistics.

  17. Equivalent complex conductivities representing the effects of T-tubules and folded surface membranes on the electrical admittance and impedance of skeletal muscles measured by external-electrode method

    Science.gov (United States)

    Sekine, Katsuhisa

    2017-12-01

    In order to represent the effects of T-tubules and folded surface membranes on the electrical admittance and impedance of skeletal muscles measured by the external-electrode method, analytical relations for the equivalent complex conductivities of hypothetical smooth surface membranes were derived. In the relations, the effects of each tubule were represented by the admittance of a straight cable. The effects of the folding of a surface membrane were represented by the increased area of surface membranes. The equivalent complex conductivities were represented as summation of these effects, and the effects of the T-tubules were different between the transversal and longitudinal directions. The validity of the equivalent complex conductivities was supported by the results of finite-difference method (FDM) calculations made using three-dimensional models in which T-tubules and folded surface membranes were represented explicitly. FDM calculations using the equivalent complex conductivities suggested that the electrically inhomogeneous structure due to the existence of muscle cells with T-tubules was sufficient for explaining the experimental results previously obtained using the external-electrode method. Results of FDM calculations in which the structural changes caused by muscle contractions were taken into account were consistent with the reported experimental results.

  18. Estimation of sampling error uncertainties in observed surface air temperature change in China

    Science.gov (United States)

    Hua, Wei; Shen, Samuel S. P.; Weithmann, Alexander; Wang, Huijun

    2017-08-01

    This study examines the sampling error uncertainties in the monthly surface air temperature (SAT) change in China over recent decades, focusing on the uncertainties of gridded data, national averages, and linear trends. Results indicate that large sampling error variances appear at the station-sparse area of northern and western China with the maximum value exceeding 2.0 K2 while small sampling error variances are found at the station-dense area of southern and eastern China with most grid values being less than 0.05 K2. In general, the negative temperature existed in each month prior to the 1980s, and a warming in temperature began thereafter, which accelerated in the early and mid-1990s. The increasing trend in the SAT series was observed for each month of the year with the largest temperature increase and highest uncertainty of 0.51 ± 0.29 K (10 year)-1 occurring in February and the weakest trend and smallest uncertainty of 0.13 ± 0.07 K (10 year)-1 in August. The sampling error uncertainties in the national average annual mean SAT series are not sufficiently large to alter the conclusion of the persistent warming in China. In addition, the sampling error uncertainties in the SAT series show a clear variation compared with other uncertainty estimation methods, which is a plausible reason for the inconsistent variations between our estimate and other studies during this period.

  19. Nucleolin inhibits Fas ligand binding and suppresses Fas-mediated apoptosis in vivo via a surface nucleolin-Fas complex.

    Science.gov (United States)

    Wise, Jillian F; Berkova, Zuzana; Mathur, Rohit; Zhu, Haifeng; Braun, Frank K; Tao, Rong-Hua; Sabichi, Anita L; Ao, Xue; Maeng, Hoyoung; Samaniego, Felipe

    2013-06-06

    Resistance to Fas-mediated apoptosis is associated with poor cancer outcomes and chemoresistance. To elucidate potential mechanisms of defective Fas signaling, we screened primary lymphoma cell extracts for Fas-associated proteins that would have the potential to regulate Fas signaling. An activation-resistant Fas complex selectively included nucleolin. We confirmed the presence of nucleolin-Fas complexes in B-cell lymphoma cells and primary tissues, and the absence of such complexes in B-lymphocytes from healthy donors. RNA-binding domain 4 and the glycine/arginine-rich domain of nucleolin were essential for its association with Fas. Nucleolin colocalized with Fas on the surface of B-cell lymphoma cells. Nucleolin knockdown sensitized BJAB cells to Fas ligand (FasL)-induced and Fas agonistic antibody-induced apoptosis through enhanced binding, suggesting that nucleolin blocks the FasL-Fas interaction. Mice transfected with nucleolin were protected from the lethal effects of agonistic anti-mouse Fas antibody (Jo2) and had lower rates of hepatocyte apoptosis, compared with vector and a non-Fas-binding mutant of nucleolin. Our results show that cell surface nucleolin binds Fas, inhibits ligand binding, and thus prevents induction of Fas-mediated apoptosis in B-cell lymphomas and may serve as a new therapeutic target.

  20. Area G perimeter surface-soil and single-stage water sampling: Environmental surveillance for fiscal year 1993

    International Nuclear Information System (INIS)

    Conrad, R.; Childs, M.; Rivera-Dirks, C.; Coriz, F.

    1995-07-01

    Area G, in Technical Area 54, has been the principle facility at Los Alamos National Laboratory for the storage and disposal of low-level and transuranic (TRU) radioactive wastes since 1957. The current environmental investigation consisted of ESH-19 personnel who collected soil and single-stage water samples around the perimeter of Area G to characterize possible contaminant movement through surface-water runoff. These samples were analyzed for tritium, total uranium, isotopic plutonium, americium-241 (soil only), and cesium 137. The metals, mercury, lead, and barium, were analyzed using x-ray fluorescence

  1. Sample preparation

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    Sample preparation prior to HPLC analysis is certainly one of the most important steps to consider in trace or ultratrace analysis. For many years scientists have tried to simplify the sample preparation process. It is rarely possible to inject a neat liquid sample or a sample where preparation may not be any more complex than dissolution of the sample in a given solvent. The last process alone can remove insoluble materials, which is especially helpful with the samples in complex matrices if other interactions do not affect extraction. Here, it is very likely a large number of components will not dissolve and are, therefore, eliminated by a simple filtration process. In most cases, the process of sample preparation is not as simple as dissolution of the component interest. At times, enrichment is necessary, that is, the component of interest is present in very large volume or mass of material. It needs to be concentrated in some manner so a small volume of the concentrated or enriched sample can be injected into HPLC. 88 refs