WorldWideScience

Sample records for surface potential profile

  1. Surface profiling interferometer

    Science.gov (United States)

    Takacs, Peter Z.; Qian, Shi-Nan

    1989-01-01

    The design of a long-trace surface profiler for the non-contact measurement of surface profile, slope error and curvature on cylindrical synchrotron radiation (SR) mirrors. The optical system is based upon the concept of a pencil-beam interferometer with an inherent large depth-of-field. The key feature of the optical system is the zero-path-difference beam splitter, which separates the laser beam into two colinear, variable-separation probe beams. A linear array detector is used to record the interference fringe in the image, and analysis of the fringe location as a function of scan position allows one to reconstruct the surface profile. The optical head is mounted on an air bearing slide with the capability to measure long aspheric optics, typical of those encountered in SR applications. A novel feature of the optical system is the use of a transverse "outrigger" beam which provides information on the relative alignment of the scan axis to the cylinder optic symmetry axis.

  2. Gyral Folding Pattern Analysis via Surface Profiling

    Science.gov (United States)

    Li, Kaiming; Guo, Lei; Li, Gang; Nie, Jingxin; Faraco, Carlos; Cui, Guangbin; Zhao, Qun; Miller, L. Stephen; Liu, Tianming

    2010-01-01

    Folding is an essential shape characteristic of the human cerebral cortex. Descriptors of cortical folding patterns have been studied for decades. However, many previous studies are either based on local shape descriptors such as curvature, or based on global descriptors such as gyrification index or spherical wavelets. This paper proposes a gyrus-scale folding pattern analysis technique via cortical surface profiling. Firstly, we sample the cortical surface into 2D profiles and model them using a power function. This step provides both the flexibility of representing arbitrary shape by profiling and the compactness of representing shape by parametric modeling. Secondly, based on the estimated model parameters, we extract affine-invariant features on the cortical surface, and apply the affinity propagation clustering algorithm to parcellate the cortex into cortical regions with strict hierarchy and smooth transitions among them. Finally, a second-round surface profiling is performed on the parcellated cortical surface, and the number of hinges is detected to describe the gyral folding pattern. We have applied the surface profiling method to two normal brain datasets and a Schizophrenia patient dataset. The experimental results demonstrate that the proposed method can accurately classify human gyri into 2-hinge, 3-hinge and 4-hinge patterns. The distribution of these folding patterns on brain lobes and the relationship between fiber density and gyral folding patterns are further investigated. Results from the Schizophrenia dataset are consistent with commonly found abnormality in former studies by others, which demonstrates the potential clinical applications of the proposed technique. PMID:20472071

  3. Surface, segregation profile for Ni50Pd50(100)

    DEFF Research Database (Denmark)

    Christensen, Asbjørn; Ruban, Andrei; Skriver, Hans Lomholt

    1997-01-01

    A recent dynamical LEED study [G.N. Derry, C.B. McVey, P.J. Rous, Surf. Sci. 326 (1995) 59] reported an oscillatory surface segregation profile in the Ni50Pd50(100) system with the surface layer enriched by Pd. We have performed ab-initio total-energy calculations for the surface of this alloy...... system using the coherent potential approximation and obtain an oscillatory segregation profile, in agreement with experiments. We discuss the energetic origin of the oscillatory segregation profile in terms of effective cluster interactions. We include relaxation effects by means of the semi...

  4. Airborne Surface Profiling of Alaskan Glaciers

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This data set consists of glacier outline, laser altimetry profile, and surface elevation change data for 46 glaciers in Alaska and British Columbia, Canada,...

  5. Potential photosynthesis of crop surfaces.

    NARCIS (Netherlands)

    Wit, de C.T.

    1959-01-01

    A formula for calculating the potential photosynthesis of a closed crop surface is proposed, assuming that the leaves of the crop are not arranged in any definite direction. In the Netherlands, values for potential photosynthesis vary from 290 kg. CH2O/ha./day in June to 50 kg./ha./day in December.

  6. Effects of prebiotic oligosaccharides consumption on the growth and expression profile of cell surface-associated proteins of a potential probiotic Lactobacillus rhamnosus FSMM15.

    Science.gov (United States)

    Murtini, Devi; Aryantini, Ni Putu Desy; Sujaya, I Nengah; Urashima, Tadasu; Fukuda, Kenji

    2016-01-01

    To investigate carbohydrate preference of a potential probiotic, Lactobacillus rhamnosus FSMM15, six prebiotics, including two milk-derived prebiotics, galactooligosaccharides and lacto-N-biose I, and four plant-origin prebiotics, beet oligosaccharide syrup, difructose anhydride III, fructooligosaccharides, and raffinose, were examined. The strain utilized the milk-derived prebiotics at similar levels to glucose but did not utilize the plant-origin ones in the same manner, reflecting their genetic background, which allows them to adapt to dairy ecological niches. These prebiotics had little influence on the expression pattern of cell surface-associated proteins in the strain; however, an ATP-binding cassette transporter substrate-binding protein and a glyceraldehyde-3-phosphate dehydrogenase were suggested to be upregulated in response to carbon starvation stress.

  7. Space potential profiles in ELMO Bumpy Torus (EBT) experiment

    International Nuclear Information System (INIS)

    Bieniosek, F.M.; Connor, K.A.

    1983-01-01

    Spatially resolved measurements of the electric space potential in the ELMO Bumpy Torus (EBT) have been made by a heavy ion beam probe. The EBT-I device is characterized by positive potentials in the surface plasma the order of 100 V and by a nearly symmetric potential well in the core plasma of up to 300 V with respect to the surface potential. The EBT-S device has a similar potential structure with well depth and peak potential similar to or greater than that of EBT-I. Peak potential and well depth increase as the edge gas pressure is lowered and as the microwave power is increased. The potential structure is strongly linked to the specific heating geometry. The ambipolar electric field is large enough generally to dominate the core electron neoclassical diffusion. The potential profile is approximately parabolic in the core, which is shown to be a natural consequence of the spatially uniform plasma source function

  8. Surface glycosylation profiles of urine extracellular vesicles.

    Directory of Open Access Journals (Sweden)

    Jared Q Gerlach

    Full Text Available Urinary extracellular vesicles (uEVs are released by cells throughout the nephron and contain biomolecules from their cells of origin. Although uEV-associated proteins and RNA have been studied in detail, little information exists regarding uEV glycosylation characteristics. Surface glycosylation profiling by flow cytometry and lectin microarray was applied to uEVs enriched from urine of healthy adults by ultracentrifugation and centrifugal filtration. The carbohydrate specificity of lectin microarray profiles was confirmed by competitive sugar inhibition and carbohydrate-specific enzyme hydrolysis. Glycosylation profiles of uEVs and purified Tamm Horsfall protein were compared. In both flow cytometry and lectin microarray assays, uEVs demonstrated surface binding, at low to moderate intensities, of a broad range of lectins whether prepared by ultracentrifugation or centrifugal filtration. In general, ultracentrifugation-prepared uEVs demonstrated higher lectin binding intensities than centrifugal filtration-prepared uEVs consistent with lesser amounts of co-purified non-vesicular proteins. The surface glycosylation profiles of uEVs showed little inter-individual variation and were distinct from those of Tamm Horsfall protein, which bound a limited number of lectins. In a pilot study, lectin microarray was used to compare uEVs from individuals with autosomal dominant polycystic kidney disease to those of age-matched controls. The lectin microarray profiles of polycystic kidney disease and healthy uEVs showed differences in binding intensity of 6/43 lectins. Our results reveal a complex surface glycosylation profile of uEVs that is accessible to lectin-based analysis following multiple uEV enrichment techniques, is distinct from co-purified Tamm Horsfall protein and may demonstrate disease-specific modifications.

  9. Potential Pitfalls in microRNA Profiling

    Science.gov (United States)

    Chugh, Pauline; Dittmer, Dirk P.

    2013-01-01

    MicroRNAs (miRNAs) are small, noncoding RNAs that post-transcriptionally influence a wide range of cellular processes such as the host response to viral infection, innate immunity, cell cycle progression, migration and apoptosis through the inhibition of target mRNA translation. Due to the growing number of microRNAs and identification of their functional roles, miRNA profiling of many different sample types has become more expansive, especially with relevance to disease signatures. Here, we address some of the advantages and potential pitfalls of the currently available methods for miRNA expression profiling. Some of the topics discussed include isomiRNAs, comparison of different profiling platforms, normalization strategies and issues with regard to sample preparation and experimental analyses. PMID:22566380

  10. Consumers and green electricity : profiling potential purchasers

    Energy Technology Data Exchange (ETDEWEB)

    Rowlands, I. [Waterloo Univ., ON (Canada). Dept. of Environment and Resource Studies; Scott, D. [Environment Canada, Downsview, ON (Canada). Adaptation and Impacts Research Group; Parker, P. [Waterloo Univ., ON (Canada). Dept. of Geography

    2001-07-01

    Electricity markets around the world are being opened to competition and environmental concerns are prompting consumers to consider buying electricity that has been generated by renewable energy sources such as solar or wind power. This report profiles the potential purchaser of such green electricity. It presents 3 sets of hypotheses, each drawing upon the literature on green product purchasers. It is suggested that those who are willing to pay higher premiums for green electricity are likely to have certain demographic characteristics and social values. This study is based on a case-study of a survey conducted in the Waterloo region of southern Ontario, Canada, the objective of which was to determine what kind of people are potential green electricity purchasers. Results were presented to power managers and marketers. A 158-item survey was sent to 1,110 individuals, between September 2000 and April 2001. A total of 474 questionnaires were answered, for a response rate of 43 per cent. It was noted that although the response rate was high, the survey may not be representative because the respondents were older, better educated, and wealthier than the general population. In addition, the respondents had previously indicated they were willing to pay $25 for a home energy evaluation, suggesting a special interest in issues regarding energy and the environment. It was determined that attitudinal characteristics, such as liberalism and perceived consumer effectiveness, ideally identify the potential green electricity buyer. 34 refs., 5 tabs.

  11. Consumers and green electricity : profiling potential purchasers

    International Nuclear Information System (INIS)

    Rowlands, I.; Scott, D.; Parker, P.

    2001-01-01

    Electricity markets around the world are being opened to competition and environmental concerns are prompting consumers to consider buying electricity that has been generated by renewable energy sources such as solar or wind power. This report profiles the potential purchaser of such green electricity. It presents 3 sets of hypotheses, each drawing upon the literature on green product purchasers. It is suggested that those who are willing to pay higher premiums for green electricity are likely to have certain demographic characteristics and social values. This study is based on a case-study of a survey conducted in the Waterloo region of southern Ontario, Canada, the objective of which was to determine what kind of people are potential green electricity purchasers. Results were presented to power managers and marketers. A 158-item survey was sent to 1,110 individuals, between September 2000 and April 2001. A total of 474 questionnaires were answered, for a response rate of 43 per cent. It was noted that although the response rate was high, the survey may not be representative because the respondents were older, better educated, and wealthier than the general population. In addition, the respondents had previously indicated they were willing to pay $25 for a home energy evaluation, suggesting a special interest in issues regarding energy and the environment. It was determined that attitudinal characteristics, such as liberalism and perceived consumer effectiveness, ideally identify the potential green electricity buyer. 34 refs., 5 tabs

  12. Potential energy surfaces for chemical reactions

    International Nuclear Information System (INIS)

    Schaefer, H.F. III.

    1976-01-01

    Research into potential energy surfaces for chemical reactions at Lawrence Berkeley Laboratory during 1976 is described. Topics covered include: the fuzzy interface between surface chemistry catalysis and organometallic chemistry; potential energy surfaces for elementary fluorine hydrogen reactions; structure, energetics, and reactivity of carbenes; and the theory of self-consistent electron pairs

  13. The prediction of BRDFs from surface profile measurements

    International Nuclear Information System (INIS)

    Church, E.L.; Takacs, P.Z.; Leonard, T.A.

    1989-01-01

    This paper discusses methods of predicting the BRDF of smooth surfaces from profile measurements of their surface finish. The conversion of optical profile data to the BRDF at the same wavelength is essentially independent of scattering models, while the conversion of mechanical measurements, and wavelength scaling in general, are model dependent. Procedures are illustrated for several surfaces, including two from the recent HeNe BRDF round robin, and results are compared with measured data. Reasonable agreement is found except for surfaces which involve significant scattering from isolated surface defects which are poorly sampled in the profile data

  14. Surface Layer Turbulence and Aerosol Profiles During MAPTIP

    NARCIS (Netherlands)

    Davidson, K.L.; Frederickson, P.A.; Leeuw, G. de

    1995-01-01

    The Naval Postgraduate School (NPS) and the TNO Physics and Electronics Laboratory (TNO-FEL) deployed in situ sensors near and on Meetpost Noordwijk (MPN) during MAPTIP to describe the surface layer processes and also to evaluate models for near-surface aerosol profiles. Vertical profiles of aerosol

  15. Scanning Surface Potential Microscopy of Spore Adhesion on Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ida [University of Tennessee, Knoxville (UTK); Chung, Eunhyea [Georgia Institute of Technology; Kweon, Hyojin [Georgia Institute of Technology; Yiacoumi, Sotira [Georgia Institute of Technology; Tsouris, Costas [ORNL

    2012-01-01

    The adhesion of spores of Bacillus anthracis - the cause of anthrax and a likely biological threat - to solid surfaces is an important consideration in cleanup after an accidental or deliberate release. However, because of safety concerns, directly studying B. anthracis spores with advanced instrumentation is problematic. As a first step, we are examining the electrostatic potential of Bacillus thuringiensis (Bt), which is a closely related species that is often used as a simulant to study B. anthracis. Scanning surface potential microscopy (SSPM), also known as Kelvin probe force microscopy (KPFM), was used to investigate the influence of relative humidity (RH) on the surface electrostatic potential of Bt that had adhered to silica, mica, or gold substrates. AFM/SSPM side-by-side images were obtained separately in air, at various values of RH, after an aqueous droplet with spores was applied on each surface and allowed to dry before measurements. In the SSPM images, a negative potential on the surface of the spores was observed compared with that of the substrates. The surface potential decreased as the humidity increased. Spores were unable to adhere to a surface with an extremely negative potential, such as mica.

  16. Scanning surface potential microscopy of spore adhesion on surfaces.

    Science.gov (United States)

    Lee, I; Chung, E; Kweon, H; Yiacoumi, S; Tsouris, C

    2012-04-01

    The adhesion of spores of Bacillus anthracis - the cause of anthrax and a likely biological threat - to solid surfaces is an important consideration in cleanup after an accidental or deliberate release. However, because of safety concerns, directly studying B. anthracis spores with advanced instrumentation is problematic. As a first step, we are examining the electrostatic potential of Bacillus thuringiensis (Bt), which is a closely related species that is often used as a simulant to study B. anthracis. Scanning surface potential microscopy (SSPM), also known as Kelvin probe force microscopy (KPFM), was used to investigate the influence of relative humidity (RH) on the surface electrostatic potential of Bt that had adhered to silica, mica, or gold substrates. AFM/SSPM side-by-side images were obtained separately in air, at various values of RH, after an aqueous droplet with spores was applied on each surface and allowed to dry before measurements. In the SSPM images, a negative potential on the surface of the spores was observed compared with that of the substrates. The surface potential decreased as the humidity increased. Spores were unable to adhere to a surface with an extremely negative potential, such as mica. Copyright © 2011 Elsevier B.V. All rights reserved.

  17. Atom-surface potentials and atom interferometry

    International Nuclear Information System (INIS)

    Babb, J.F.

    1998-01-01

    Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

  18. Quantitative sputter profiling at surfaces and interfaces

    International Nuclear Information System (INIS)

    Kirschner, J.; Etzkorn, H.W.

    1981-01-01

    The key problem in quantitative sputter profiling, that of a sliding depth scale has been solved by combined Auger/X-ray microanalysis. By means of this technique and for the model system Ge/Si (amorphous) the following questions are treated quantitatively: shape of the sputter profiles when sputtering through an interface and origin of their asymmetry; precise location of the interface plane on the depth profile; broadening effects due to limited depth of information and their correction; origin and amount of bombardment induced broadening for different primary ions and energies; depth dependence of the broadening, and basic limits to depth resolution. Comparisons are made to recent theoretical calculations based on recoil mixing in the collision cascade and very good agreement is found

  19. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.; Levin, Eugene

    1993-01-01

    A new global potential energy surface (PES) is being generated for O(P-3) + H2 yields OH + H. This surface is being fit using the rotated Morse oscillator method, which was used to fit the previous POL-CI surface. The new surface is expected to be more accurate and also includes a much more complete sampling of bent geometries. A new study has been undertaken of the reaction N + O2 yields NO + O. The new studies have focused on the region of the surface near a possible minimum corresponding to the peroxy form of NOO. A large portion of the PES for this second reaction has been mapped out. Since state to state cross sections for the reaction are important in the chemistry of high temperature air, these studies will probably be extended to permit generation of a new global potential for reaction.

  20. Profile, antioxidant potential, and applicability of phenolic ...

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-14

    ) of Spirulina platensis and assesses their antioxidant potential, applying them as a natural conservative in minimally processed apples. The phenolic extract showed 396 µg g-1 gallic acid, 347 µg g-1 of caffeic acid, 54 µg g-1.

  1. Space potential, temperature, and density profile measurements on RENTOR

    International Nuclear Information System (INIS)

    Schoch, P.M.

    1983-05-01

    Radial profiles of the space potential, electron temperature, and density have been measured on RENTOR with a heavy-ion-beam probe. The potential profile has been compared to predictions from a stochastic magnetic field fluctuation theory, using the measured temperature and density profiles. The comparison shows strong qualitative agreement in that the potential is positive and the order of T/sub e//e. There is some quantitative disagreement in that the measured radial electric fields are somewhat smaller than the theoretical predictions. To facilitate this comparison, a detailed analysis of the possible errors has been completed

  2. Profile, antioxidant potential, and applicability of phenolic ...

    African Journals Online (AJOL)

    ) of Spirulina platensis and assesses their antioxidant potential, applying them as a natural conservative in minimally processed apples. The phenolic extract showed 396 &µg g-1 gallic acid, 347 µg g-1 of caffeic acid, 54 µg g-1 salicylic acid ...

  3. Flux surface shape and current profile optimization in tokamaks

    International Nuclear Information System (INIS)

    Dobrott, D.R.; Miller, R.L.

    1977-01-01

    Axisymmetric tokamak equilibria of noncircular cross section are analyzed numerically to study the effects of flux surface shape and current profile on ideal and resistive interchange stability. Various current profiles are examined for circles, ellipses, dees, and doublets. A numerical code separately analyzes stability in the neighborhood of the magnetic axis and in the remainder of the plasma using the criteria of Mercier and Glasser, Greene, and Johnson. Results are interpreted in terms of flux surface averaged quantities such as magnetic well, shear, and the spatial variation in the magnetic field energy density over the cross section. The maximum stable β is found to vary significantly with shape and current profile. For current profiles varying linearly with poloidal flux, the highest β's found were for doublets. Finally, an algorithm is presented which optimizes the current profile for circles and dees by making the plasma everywhere marginally stable

  4. Potential energy surface of alanine polypeptide chains

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Yakubovich, Alexander V.; Solov'yov, Andrey V.

    2006-01-01

    The multidimensional potential energy surfaces of the peptide chains consisting of three and six alanine (Ala) residues have been studied with respect to the degrees of freedom related to the twist of these molecules relative to the peptide backbone (these degrees of freedom are responsible...

  5. Ion induced optical emission for surface and depth profile analysis

    International Nuclear Information System (INIS)

    White, C.W.

    1977-01-01

    Low-energy ion bombardment of solid surfaces results in the emission of infrared, visible, and ultraviolet radiation produced by inelastic ion-solid collision processes. The emitted optical radiation provides important insight into low-energy particle-solid interactions and provides the basis for an analysis technique which can be used for surface and depth profile analysis with high sensitivity. The different kinds of collision induced optical radiation emitted as a result of low-energy particle-solid collisions are reviewed. Line radiation arising from excited states of sputtered atoms or molecules is shown to provide the basis for surface and depth profile analysis. The spectral characteristics of this type of radiation are discussed and applications of the ion induced optical emission technique are presented. These applications include measurements of ion implant profiles, detection sensitivities for submonolayer quantities of impurities on elemental surfaces, and the detection of elemental impurities on complex organic substrates

  6. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.

    1994-01-01

    Quantum mechanical methods have been used to compute potential energy surfaces for chemical reactions. The reactions studied were among those believed to be important to the NASP and HSR programs and included the recombination of two H atoms with several different third bodies; the reactions in the thermal Zeldovich mechanism; the reactions of H atom with O2, N2, and NO; reactions involved in the thermal De-NO(x) process; and the reaction of CH(squared Pi) with N2 (leading to 'prompt NO'). These potential energy surfaces have been used to compute reaction rate constants and rates of unimolecular decomposition. An additional application was the calculation of transport properties of gases using a semiclassical approximation (and in the case of interactions involving hydrogen inclusion of quantum mechanical effects).

  7. Potential energy surface of triplet O4.

    Science.gov (United States)

    Paukku, Yuliya; Varga, Zoltan; Truhlar, Donald G

    2018-03-28

    We present a global ground-state potential energy surface (PES) for the triplet spin state of O 4 that is suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation in electronically adiabatic spin-conserving O 2 -O 2 collisions. The surface is based on MS-CASPT2/maug-cc-pVTZ electronic structure calculations with scaled external correlation; the active space has 16 electrons in 12 orbitals. The global ground-state potential energy surface was fitted by a many-body approach with an accurate O-O pairwise interaction and a fit of the many-body interaction potential to 10 180 electronic structure data points. The many-body fit is based on permutationally invariant polynomials in terms of bond-order functions of the six interatomic distances; the bond-order functions are mixed exponential-Gaussian functions. The geometries calculated and used for the fit include geometry scans corresponding to dissociative and vibrationally excited diatom-diatom collisions of O 2 , scans corresponding to O 3 interacting with O, additional geometries identified by running trajectories, and geometries along linear synchronous transit paths connecting randomly selected points. The global O 4 PES includes subsurfaces describing the interaction of diatomic molecules with other diatomic molecules or interactions of triatomic molecules and an atom. The interaction of ozone with a ground-state oxygen atom occurs on the triplet O 4 surface, and our surface includes high-energy points with O 3 -O geometries as well as O 2 -O 2 geometries and O 2 -O-O geometries.

  8. Reducing Surface Clutter in Cloud Profiling Radar Data

    Science.gov (United States)

    Tanelli, Simone; Pak, Kyung; Durden, Stephen; Im, Eastwood

    2008-01-01

    An algorithm has been devised to reduce ground clutter in the data products of the CloudSat Cloud Profiling Radar (CPR), which is a nadir-looking radar instrument, in orbit around the Earth, that measures power backscattered by clouds as a function of distance from the instrument. Ground clutter contaminates the CPR data in the lowest 1 km of the atmospheric profile, heretofore making it impossible to use CPR data to satisfy the scientific interest in studying clouds and light rainfall at low altitude. The algorithm is based partly on the fact that the CloudSat orbit is such that the geodetic altitude of the CPR varies continuously over a range of approximately 25 km. As the geodetic altitude changes, the radar timing parameters are changed at intervals defined by flight software in order to keep the troposphere inside a data-collection time window. However, within each interval, the surface of the Earth continuously "scans through" (that is, it moves across) a few range bins of the data time window. For each radar profile, only few samples [one for every range-bin increment ((Delta)r = 240 m)] of the surface-clutter signature are available around the range bin in which the peak of surface return is observed, but samples in consecutive radar profiles are offset slightly (by amounts much less than (Delta)r) with respect to each other according to the relative change in geodetic altitude. As a consequence, in a case in which the surface area under examination is homogenous (e.g., an ocean surface), a sequence of consecutive radar profiles of the surface in that area contains samples of the surface response with range resolution (Delta)p much finer than the range-bin increment ((Delta)p data acquired over an ocean surface. A preliminary analysis of the test data showed a surface-clutter-rejection ratio over flat surfaces of >10 dB and a reduction of the contaminated altitude over ocean from about 1 km to about 0.5 km (over the ocean). The algorithm has been embedded

  9. Surface activity, lipid profiles and their implications in cervical cancer.

    Directory of Open Access Journals (Sweden)

    Preetha A

    2005-01-01

    Full Text Available Background: The profiles of lipids in normal and cancerous tissues may differ revealing information about cancer development and progression. Lipids being surface active, changes in lipid profiles can manifest as altered surface activity profiles. Langmuir monolayers offer a convenient model for evaluating surface activity of biological membranes. Aims: The aims of this study were to quantify phospholipids and their effects on surface activity of normal and cancerous human cervical tissues as well as to evaluate the role of phosphatidylcholine (PC and sphingomyelin (SM in cervical cancer using Langmuir monolayers. Methods and Materials: Lipid quantification was done using thin layer chromatography and phosphorus assay. Surface activity was evaluated using Langmuir monolayers. Monolayers were formed on the surface of deionized water by spreading tissue organic phase corresponding to 1 mg of tissue and studying their surface pressure-area isotherms at body temperature. The PC and SM contents of cancerous human cervical tissues were higher than those of the normal human cervical tissues. Role of PC and SM were evaluated by adding varying amounts of these lipids to normal cervical pooled organic phase. Statistical analysis: Student′s t-test (p < 0.05 and one-way analysis of variance (ANOVA was used. Results: Our results reveals that the phosphatidylglycerol level in cancerous cervical tissue was nearly five folds higher than that in normal cervical tissue. Also PC and sphingomyelin SM were found to be the major phospholipid components in cancerous and normal cervical tissues respectively. The addition of either 1.5 µg DPPC or 0.5 µg SM /mg of tissue to the normal organic phase changed its surface activity profile to that of the cancerous tissues. Statistically significant surface activity parameters showed that PC and SM have remarkable roles in shifting the normal cervical lipophilic surface activity towards that of cancerous lipophilic

  10. Optimization for sinusoidal profiles in surface relief gratings ...

    Indian Academy of Sciences (India)

    2014-02-07

    Feb 7, 2014 ... filometry [7–9] and monitoring of surface self-diffusion of solids under ultrahigh vacuum conditions [10]. In the present work, recording parameters, i.e. exposure time and deve- lopment time for fabrication of such holographic gratings have been optimized to obtain nearly perfect sinusoidal profiles in the ...

  11. Theoretical studies of potential energy surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Harding, L.B. [Argonne National Laboratory, IL (United States)

    1993-12-01

    The goal of this program is to calculate accurate potential energy surfaces (PES) for both reactive and nonreactive systems. To do this the electronic Schrodinger equation must be solved. Our approach to this problem starts with multiconfiguration self-consistent field (MCSCF) reference wavefunctions. These reference wavefunctions are designed to be sufficiently flexible to accurately describe changes in electronic structure over a broad range of geometries. Electron correlation effects are included via multireference, singles and doubles configuration interaction (MRSDCI) calculations. With this approach, the authors are able to provide useful predictions of the energetics for a broad range of systems.

  12. Carbon nanotube oscillator surface profiling device and method of use

    Science.gov (United States)

    Popescu, Adrian [Tampa, FL; Woods, Lilia M [Tampa, FL; Bondarev, Igor V [Fuquay Varina, NC

    2011-11-15

    The proposed device is based on a carbon nanotube oscillator consisting of a finite length outer stationary nanotube and a finite length inner oscillating nanotube. Its main function is to measure changes in the characteristics of the motion of the carbon nanotube oscillating near a sample surface, and profile the roughness of this surface. The device operates in a non-contact mode, thus it can be virtually non-wear and non-fatigued system. It is an alternative to the existing atomic force microscope (AFM) tips used to scan surfaces to determine their roughness.

  13. Velocity profiles of fluid flow close to a hydrophobic surface

    Science.gov (United States)

    Fialová, Simona; Pochylý, František; Kotek, Michal; Jašíková, Darina

    The results of research on viscous liquid flow upon a superhydrophobic surface are presented in the paper. In the introduction, the degrees of surface hydrophobicity in correlation with an adhesion coefficient are defined. The usage of the adhesion coefficient for the definition of a new boundary condition is employed for expressing the slip of the liquid over the superhydrophobic surface. The slip of the liquid was identified on a special experimental device. The essence of the device consists of a tunnel of rectangular cross section whose one wall is treated with a superhydrophobic layer. The other walls are made of transparent organic glass whose surface is hydrophilic. Velocity profiles are measured by PIV. The methodology is drawn so that it allows the speed determination at the closest point to the wall. The measurements were performed for different Reynolds numbers for both laminar and turbulent flow. Based on the measured velocity profiles, marginal terms of use have been verified, expressing slippage of the liquid on the wall. New forms of velocity profiles considering superhydrophobic surfaces are shown within the work.

  14. Electrostatic potential profile and nonlinear current in an interacting ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. We consider an interacting one-dimensional molecular wire attached to two metal electrodes on either side of it. The electrostatic potential profile across the wire-electrode interface has been deduced solving the Schrodinger and Poisson equations self-consistently. Since the Poisson distribution crucially depends ...

  15. Evaluation of bacterial profile and biodegradation potential of ...

    African Journals Online (AJOL)

    Abattoir wastewater treatments were monitored using physicochemical parameters, bacterial profile and biodegradation potential for 28 days at 7 days intervals. The stages of abattoir wastewater treatment were evaluated through determination of physicochemical parameters such as pH, conductivity, total dissolved solid, ...

  16. Profiling application potential for alkali treated sisal fiber ...

    African Journals Online (AJOL)

    Profiling application potential for alkali treated sisal fiber-polypropylene composite in Ashby material-property plots. ... International Journal of Engineering, Science and Technology ... The effect of alkali treatment on sisal fiber from the plant agave sisalana in appropriation for composite material application is presented.

  17. NEW CONCEPTS AND TEST METHODS OF CURVE PROFILE AREA DENSITY IN SURFACE: ESTIMATION OF AREAL DENSITY ON CURVED SPATIAL SURFACE

    OpenAIRE

    Hong Shen

    2011-01-01

    The concepts of curve profile, curve intercept, curve intercept density, curve profile area density, intersection density in containing intersection (or intersection density relied on intersection reference), curve profile intersection density in surface (or curve intercept intersection density relied on intersection of containing curve), and curve profile area density in surface (AS) were defined. AS expressed the amount of curve profile area of Y phase in the unit containing surface area, S...

  18. Velocity profiles and surface roughness under breaking waves

    Science.gov (United States)

    Craig, Peter D.

    1996-01-01

    Recent measurements under wave-breaking conditions in the ocean, lakes, and tanks reveal a layer immediately below the surface in which dissipation decays as depth to the power -2 to -4 and downwind velocities are approximately linear with depth. This behavior is consistent with predictions of a conventional, one-dimensional, level 2.5 turbulence closure model, in which the influence of breaking waves is parameterized as a surface source of turbulent kinetic energy. The model provides an analytic solution which describes the near-surface power law behavior and the deeper transition to the "law of the wall." The mixing length imposed in the model increases linearly away from a minimum value, the roughness length, at the surface. The surface roughness emerges as an important scaling factor in the wave-enhanced layer but is the major unknown in the formulation. Measurements in the wave-affected layer are still rare, but one exceptional set, both in terms of its accuracy and proximity to the surface, is that collected by Cheung and Street [1988] in the Stanford wind tunnel. Their velocity profiles first confirm the accuracy of the model, and, second, allow estimation, via a best fit procedure, of roughness lengths at five different wind speeds. Conclusions are tentative but indicate that the roughness length increases with wind speed and appears to take a value of approximately one sixth the dominant surface wavelength. A more traditional wall-layer model, which ignores the flux of turbulent kinetic energy, will also accurately reproduce the measured velocity profiles. In this case, enhanced surface turbulence is forced on the model by the assumption of a large surface roughness, three times that required by the full model. However, the wall-layer model cannot predict the enhanced dissipation near the surface.

  19. Fatty acid methyl ester profiles of bat wing surface lipids.

    Science.gov (United States)

    Pannkuk, Evan L; Fuller, Nathan W; Moore, Patrick R; Gilmore, David F; Savary, Brett J; Risch, Thomas S

    2014-11-01

    Sebocytes are specialized epithelial cells that rupture to secrete sebaceous lipids (sebum) across the mammalian integument. Sebum protects the integument from UV radiation, and maintains host microbial communities among other functions. Native glandular sebum is composed primarily of triacylglycerides (TAG) and wax esters (WE). Upon secretion (mature sebum), these lipids combine with minor cellular membrane components comprising total surface lipids. TAG and WE are further cleaved to smaller molecules through oxidation or host enzymatic digestion, resulting in a complex mixture of glycerolipids (e.g., TAG), sterols, unesterified fatty acids (FFA), WE, cholesteryl esters, and squalene comprising surface lipid. We are interested if fatty acid methyl ester (FAME) profiling of bat surface lipid could predict species specificity to the cutaneous fungal disease, white nose syndrome (WNS). We collected sebaceous secretions from 13 bat spp. using Sebutape(®) and converted them to FAME with an acid catalyzed transesterification. We found that Sebutape(®) adhesive patches removed ~6× more total lipid than Sebutape(®) indicator strips. Juvenile eastern red bats (Lasiurus borealis) had significantly higher 18:1 than adults, but 14:0, 16:1, and 20:0 were higher in adults. FAME profiles among several bat species were similar. We concluded that bat surface lipid FAME profiling does not provide a robust model predicting species susceptibility to WNS. However, these results provide baseline data that can be used for lipid roles in future ecological studies, such as life history, diet, or migration.

  20. Energy conservation potential of surface modification technologies

    Energy Technology Data Exchange (ETDEWEB)

    Le, H.K.; Horne, D.M.; Silberglitt, R.S.

    1985-09-01

    This report assesses the energy conservation impact of surface modification technologies on the metalworking industries. The energy conservation impact of surface modification technologies on the metalworking industries is assessed by estimating their friction and wear tribological sinks and the subsequent reduction in these sinks when surface modified tools are used. Ion implantation, coatings, and laser and electron beam surface modifications are considered.

  1. The potential of single-cell profiling in plants.

    Science.gov (United States)

    Efroni, Idan; Birnbaum, Kenneth D

    2016-04-05

    Single-cell transcriptomics has been employed in a growing number of animal studies, but the technique has yet to be widely used in plants. Nonetheless, early studies indicate that single-cell RNA-seq protocols developed for animal cells produce informative datasets in plants. We argue that single-cell transcriptomics has the potential to provide a new perspective on plant problems, such as the nature of the stem cells or initials, the plasticity of plant cells, and the extent of localized cellular responses to environmental inputs. Single-cell experimental outputs require different analytical approaches compared with pooled cell profiles and new tools tailored to single-cell assays are being developed. Here, we highlight promising new single-cell profiling approaches, their limitations as applied to plants, and their potential to address fundamental questions in plant biology.

  2. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.

    1988-01-01

    The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

  3. Nanometer-Scale Electrical Potential Profiling Across Perovskite Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Chuanxiao; Jiang, Chun-Sheng; Ke, Weijun; Wang, Changlei; Gorman, Brian; Yan, Yanfa; Al-Jassim, Mowafak

    2016-11-21

    We used Kelvin probe force microscopy to study the potential distribution on cross-section of perovskite solar cells with different types of electron-transporting layers (ETLs). Our results explain the low open-circuit voltage and fill factor in ETL-free cells, and support the fact that intrinsic SnO2 as an alternative ETL material can make high-performance devices. Furthermore, the potential-profiling results indicate a reduction in junction-interface recombination by the optimized SnO2 layer and adding a fullerene layer, which is consistent with the improved device performance and current-voltage hysteresis.

  4. IceBridge UAF Lidar Profiler L1B Geolocated Surface Elevation Triplets

    Data.gov (United States)

    National Aeronautics and Space Administration — The NASA IceBridge UAF Lidar Profiler L1B Geolocated Surface Elevation Triplets data set contains surface profiles of Alaska Glaciers acquired using the airborne...

  5. Engineering ferroelectric tunnel junctions through potential profile shaping

    Directory of Open Access Journals (Sweden)

    S. Boyn

    2015-06-01

    Full Text Available We explore the influence of the top electrode materials (W, Co, Ni, Ir on the electronic band profile in ferroelectric tunnel junctions based on super-tetragonal BiFeO3. Large variations of the transport properties are observed at room temperature. In particular, the analysis of current vs. voltage curves by a direct tunneling model indicates that the metal/ferroelectric interfacial barrier height increases with the top-electrode work function. While larger metal work functions result in larger OFF/ON ratios, they also produce a large internal electric field which results in large and potentially destructive switching voltages.

  6. Surface Curvatures and Diffraction Profiles of Sagittaly Bent Laue Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Shi, X.; Takacs, P.; Ghose, S.; Zhong, Z.; Rehak, M.L.; Kaznatcheev, K.; Dooryhee, E.

    2011-05-17

    The performance of a bent Laue crystal monochromator crucially depends on the sagittal and meridional bending curvatures of the crystal. To optimize the design of monochromator crystals, the surface curvatures and diffraction profiles of a set of sagittally bent Laue crystals with different aspect ratios have been studied experimentally by optical metrology and X-ray measurements. The results were confirmed with finite-element analysis using large-deformation theory. The nonlinear relationship between the curvatures necessitates an experimentally determined parameter in the theoretical modeling of the diffraction profiles. By taking into account the local stress and the aspect ratio of the sagittally bent Laue crystal, the modified analytical approach successfully predicts the rocking-curve width and the integrated reflecting power. The effect of extreme sagittal bending on the rocking curve is also discussed. To retain high reflectivity, the bending curvature should not exceed its critical value for the specified crystal geometry. Furthermore, the uniformity of the bending curvatures across the crystal surface has been examined, which suggests that the minimum crystal dimension should be approximately twice the size of the beam footprint.

  7. Application of an Ecological Surface Treatment for Aluminum Profile

    Directory of Open Access Journals (Sweden)

    Brenda Luisa McNeil-Montañes

    2015-11-01

    Full Text Available Once aluminium is extruded, in contact with oxygen, forms quickly an aluminium oxide superficial protector layer, which is not penetrated  by humidity, gases or polluting agents. This layer has a low thickness and is a bad base for painting anchorage. Through the chemical superficial treatment of the aluminium profile (degreased, deoxidized and cleaning, it is possible its preparation to el iminate the thin oxide superficial layer and dirty and to form a layer of better features. This process is carried out submerging the profiles in the sour dissolution and in the cleaning dissolution (water from the aqueduct and also treated water, without  ions to leave them clean and lastly it is carried out the surface passivation treatment, also called chemical conversion treatment, to obtain bigger penetration and stability of the paintings. The lacquered plant of aluminium, Lacalum, which is the only o ne of this type in the country, used to employ and old technology of chemical superficial treatment using watery solutions that contained hexavalents chromium ions, in order to form a protector layer on the aluminium profiles. This chemical treatment is very harmful to health, that why it was decided its substitution for a new advanced and respectful with the environment technology of non-chromium treatment; as well as the installation of a treatment plant for the process residuals. In general, these improv ements allow obtaining a better product with the smallest impact to the environment as possible, and better in social aspect, thanks to the humanization of the work, and also in economic aspect, because of the decrease of the production costs. In this work, specifications, that most be considered during this non -chromium superficial chemical treatment of the aluminium profiles, are given to obtain a later lacquered; as well as the improvements for the environment.

  8. Urban Surfaces and Heat Island Mitigation Potentials

    Energy Technology Data Exchange (ETDEWEB)

    Akbari, Hashem; Akbari, Hashem; Shea Rose, Leanna

    2007-06-14

    Data on materials and surface types that comprise a city, i.e. urban fabric, are needed in order to estimate the effects of light-colored surfaces (roofs and pavements) and urban vegetation (trees, grass, shrubs) on the meteorology and air quality of a city. We discuss the results of a semi-automatic statistical approach used to develop data on surface-type distribution and urban-fabric makeup using aerial color orthophotography, for four metropolitan areas of Chicago, IL, Houston, TX, Sacramento, CA, and Salt Lake City, UT. The digital high resolution (0.3 to 0.5-m) aerial photographs for each of these metropolitan areas covers representative urban areas ranging from 30 km{sup 2} to 52 km{sup 2}. Major land-use types examined included: commercial, residential, industrial, educational, and transportation. On average, for the metropolitan areas studied, vegetation covers about 29-41% of the area, roofs 19-25%, and paved surfaces 29-39%. For the most part, trees shade streets, parking lots, grass, and sidewalks. At ground level, i.e., view from below the tree canopies, vegetation covers about 20-37% of the area, roofs 20-25%, and paved surfaces 29-36%.

  9. SURFACE BRIGHTNESS PROFILES OF DWARF GALAXIES. II. COLOR TRENDS AND MASS PROFILES

    Energy Technology Data Exchange (ETDEWEB)

    Herrmann, Kimberly A. [Penn State Mont Alto, 1 Campus Drive, Mont Alto, PA 17237 (United States); Hunter, Deidre A. [Lowell Observatory, 1400 West Mars Hill Road, Flagstaff, AZ 86001 (United States); Elmegreen, Bruce G., E-mail: kah259@psu.edu, E-mail: dah@lowell.edu, E-mail: bge@us.ibm.com [IBM T. J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY 10598 (United States)

    2016-06-01

    In this second paper of a series, we explore the B  −  V , U  −  B , and FUV−NUV radial color trends from a multi-wavelength sample of 141 dwarf disk galaxies. Like spirals, dwarf galaxies have three types of radial surface brightness profiles: (I) single exponential throughout the observed extent (the minority), (II) down-bending (the majority), and (III) up-bending. We find that the colors of (1) Type I dwarfs generally become redder with increasing radius, unlike spirals which have a blueing trend that flattens beyond ∼1.5 disk scale lengths, (2) Type II dwarfs come in six different “flavors,” one of which mimics the “U” shape of spirals, and (3) Type III dwarfs have a stretched “S” shape where the central colors are flattish, become steeply redder toward the surface brightness break, then remain roughly constant beyond, which is similar to spiral Type III color profiles, but without the central outward bluing. Faint (−9 >  M{sub B}  > −14) Type II dwarfs tend to have continuously red or “U” shaped colors and steeper color slopes than bright (−14 >  M{sub B}  > −19) Type II dwarfs, which additionally have colors that become bluer or remain constant with increasing radius. Sm dwarfs and BCDs tend to have at least some blue and red radial color trend, respectively. Additionally, we determine stellar surface mass density (Σ) profiles and use them to show that the break in Σ generally remains in Type II dwarfs (unlike Type II spirals) but generally disappears in Type III dwarfs (unlike Type III spirals). Moreover, the break in Σ is strong, intermediate, and weak in faint dwarfs, bright dwarfs, and spirals, respectively, indicating that Σ may straighten with increasing galaxy mass. Finally, the average stellar surface mass density at the surface brightness break is roughly 1−2  M {sub ⊙} pc{sup −2} for Type II dwarfs but higher at 5.9  M {sub ⊙} pc{sup −2} or 27  M {sub ⊙} pc{sup −2} for

  10. Frequency response in surface-potential driven electrohydrodynamics

    DEFF Research Database (Denmark)

    Ejsing, Louise Wellendorph; Smistrup, Kristian; Pedersen, Christian Møller

    2006-01-01

    capacitance where the net flow rate is, in general, zero while harmonic rolls as well as time-averaged vortexlike components may exist depending on the spatial symmetry and extension of the surface potential. In general, the system displays a resonance behavior at a frequency corresponding to the inverse RC...... time of the system. Different surface potentials share the common feature that the resonance frequency is inversely proportional to the characteristic length scale of the surface potential. For the asymptotic frequency dependence above resonance we find a omega(-2) power law for surface potentials...

  11. Profiles of electrostatic potential across the water-vapor, ice-vapor and ice-water interfaces

    Directory of Open Access Journals (Sweden)

    T. Bryk

    2016-02-01

    Full Text Available Ice-water, water-vapor interfaces and ice surface are studied by molecular dynamics simulations with the SPC/E model of water molecules having the purpose to estimate the profiles of electrostatic potential across the interfaces. We have proposed a methodology for calculating the profiles of electrostatic potential based on a trial particle, which showed good agreement for the case of electrostatic potential profile of the water-vapor interface of TIP4P model calculated in another way. The measured profile of electrostatic potential for the pure ice-water interface decreases towards the liquid bulk region, which is in agreement with simulations of preferential direction of motion of Li^{+} and F^{-} solute ions at the liquid side of the ice-water interface. These results are discussed in connection with the Workman-Reynolds effect.

  12. Bernoulli potential at a superconductor surface

    Czech Academy of Sciences Publication Activity Database

    Lipavský, Pavel; Koláček, Jan; Mareš, Jiří J.; Morawetz, K.

    2001-01-01

    Roč. 65, - (2001), s. 012507-1-012507-3 ISSN 0163-1829 R&D Projects: GA ČR GA202/00/0643; GA ČR GA202/99/0410; GA AV ČR IAA1010806; GA AV ČR IAA1010919 Institutional research plan: CEZ:AV0Z1010914 Keywords : Hall effect * Bernoulli potential Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.070, year: 2001

  13. Deep learning for galaxy surface brightness profile fitting

    Science.gov (United States)

    Tuccillo, D.; Huertas-Company, M.; Decencière, E.; Velasco-Forero, S.; Domínguez Sánchez, H.; Dimauro, P.

    2018-03-01

    Numerous ongoing and future large area surveys (e.g. Dark Energy Survey, EUCLID, Large Synoptic Survey Telescope, Wide Field Infrared Survey Telescope) will increase by several orders of magnitude the volume of data that can be exploited for galaxy morphology studies. The full potential of these surveys can be unlocked only with the development of automated, fast, and reliable analysis methods. In this paper, we present DeepLeGATo, a new method for 2-D photometric galaxy profile modelling, based on convolutional neural networks. Our code is trained and validated on analytic profiles (HST/CANDELS F160W filter) and it is able to retrieve the full set of parameters of one-component Sérsic models: total magnitude, effective radius, Sérsic index, and axis ratio. We show detailed comparisons between our code and GALFIT. On simulated data, our method is more accurate than GALFIT and ˜3000 time faster on GPU (˜50 times when running on the same CPU). On real data, DeepLeGATo trained on simulations behaves similarly to GALFIT on isolated galaxies. With a fast domain adaptation step made with the 0.1-0.8 per cent the size of the training set, our code is easily capable to reproduce the results obtained with GALFIT even on crowded regions. DeepLeGATo does not require any human intervention beyond the training step, rendering it much automated than traditional profiling methods. The development of this method for more complex models (two-component galaxies, variable point spread function, dense sky regions) could constitute a fundamental tool in the era of big data in astronomy.

  14. The electric potential of the lunar surface

    Science.gov (United States)

    Fenner, M. A.; Freeman, J. W., Jr.; Hills, H. K.

    1973-01-01

    Acceleration and detection of the lunar thermal ionosphere in the presence of the lunar electric field yields a value of at least +10 V for the lunar electric potential for solar zenith angles between approximately 20 and 45 deg and in the magnetosheath or solar wind. An enhanced positive ion flux is observed with the ALSEP Suprathermal Ion Detector when a pre-acceleration voltage attains certain values. This enhancement is greater when the moon is in the solar wind as opposed to the magnetosheath.

  15. Lunar electric fields, surface potential and associated plasma sheaths

    Science.gov (United States)

    Freeman, J. W.; Ibrahim, M.

    1975-01-01

    A review is given of studies of the electric-field environment of the moon. Surface electric potentials are reported for the dayside and terminator regions, electron and ion densities in the plasma sheath adjacent to each surface-potential regime are evaluated, and the corresponding Debye lengths are estimated. The electric fields, which are approximated by the surface potential over the Debye length, are shown to be at least three orders of magnitude higher than the pervasive solar-wind electric field and to be confined to within a few tens of meters of the lunar surface.

  16. Profile Curvature Derivative Surface used to characterize the complexity of the seafloor around St. John, USVI

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Profile curvature was calculated from the bathymetry surface for each raster cell using the ArcGIS 3D Analyst "Curvature" Tool. Profile curvature describes the rate...

  17. Regional surface fluxes from satellite-derived surface temperatures (AVHRR) and radiosonde profiles

    Science.gov (United States)

    Brutsaert, Wilfried; Sugita, Michiaki

    1992-01-01

    Radiometric surface temperatures, derived from measurements by the AVHRR instrument aboard the NOAA-9 and the NOAA-11 polar orbiting satellites, were used in combination with wind velocity and temperature profiles measured by radiosondes, to calculate surface fluxes of sensible heat. The measurements were made during FIFE, the First ISLSCP (International Satellite Land Surface Climatology Project) Field Experiment, in a hilly tall grass prairie area of northeastern Kansas. The method of calculation was based on turbulent similarity formulations for the atmospheric boundary layer. Good agreement (r = 0.7) was obtained with reference values of sensible heat flux, taken as arithmetric means of measurements with the Bowen ratio method at six ground stations. The values of evaporation (latent heat fluxes), derived from these sensible heat fluxes by means of the energy budget, were also in good agreement (r = 0.94) with the corresponding reference values from the ground stations.

  18. Green's functions potential fields on surfaces

    CERN Document Server

    Melnikov, Yuri A

    2017-01-01

    This book is comprehensive in its classical mathematical physics presentation, providing the reader with detailed instructions for obtaining Green's functions from scratch. Green's functions is an instrument easily accessible to practitioners who are engaged in design and exploitation of machines and structures in modern engineering practice. To date, there are no books available on the market that are devoted to the Green's function formalism for equations covered in this volume. The reader, with an undergraduate background in applied mathematics, can become an active user of the Green's function approach. For the first time, Green's functions are discussed for a specific class of problems dealing with potential fields induced in thin-wall structures and therefore, the reader will have first-hand access to a novel issue. This Work is accessible to researchers in applied mathematics, mechanics, and relevant disciplines such as engineering, as well as to upper level undergraduates and graduate students.

  19. Application of genetic algorithm in the evaluation of the profile error of archimedes helicoid surface

    Science.gov (United States)

    Zhu, Lianqing; Chen, Yunfang; Chen, Qingshan; Meng, Hao

    2011-05-01

    According to minimum zone condition, a method for evaluating the profile error of Archimedes helicoid surface based on Genetic Algorithm (GA) is proposed. The mathematic model of the surface is provided and the unknown parameters in the equation of surface are acquired through least square method. Principle of GA is explained. Then, the profile error of Archimedes Helicoid surface is obtained through GA optimization method. To validate the proposed method, the profile error of an Archimedes helicoid surface, Archimedes Cylindrical worm (ZA worm) surface, is evaluated. The results show that the proposed method is capable of correctly evaluating the profile error of Archimedes helicoid surface and satisfy the evaluation standard of the Minimum Zone Method. It can be applied to deal with the measured data of profile error of complex surface obtained by three coordinate measurement machines (CMM).

  20. Surface Potential of Polycrystalline Hematite in Aqueous Medium

    Directory of Open Access Journals (Sweden)

    Tajana Preočanin

    2011-01-01

    Full Text Available The surface potential of polycrystalline hematite in aqueous sodium perchlorate environment as a function of pH was examined. Surface potential of hematite was obtained from measured electrode potential of a nonporous polycrystalline hematite electrode. Acidic solution was titrated with base, and the backward titration with acid was performed. Substantial hysteresis was obtained which enabled location of the point of zero potential and equilibrium values of surface potentials. The theoretical interpretation of the equilibrium data was performed by applying the surface complexation model and the thermodynamic equilibrium constants for the first and the second step of surface protonation was obtained as logK1∘=11.3;logK2∘=2.8.

  1. Surface potential modeling and reconstruction in Kelvin probe force microscopy.

    Science.gov (United States)

    Xu, Jie; Wu, Yangqing; Li, Wei; Xu, Jun

    2017-09-08

    Kelvin probe force microscopy (KPFM) measurement has been extensively applied in metallic, semiconductor and organic electronic or photovoltaic devices, to characterize the local contact potential difference or surface potential of the samples at the nanoscale. Here, a comprehensive modeling of surface potential in KPFM is established, from the well-known single capacitance model to a precise electrodynamic model, considering the long range property of the electrostatic force in KPFM. The limitations and relations of different models are also discussed. Besides, the feedback condition of the KPFM system is reconsidered and modified, showing that the influence of the cantilever has been overestimated by about 20% in previous reports. Afterwards, the surface potential of charged Si-nanocrystals is reconstructed based on the electrodynamic model, and the calculated surface charge density is very consistent with the macroscopic capacitance-voltage (C-V) measurement. A deep understanding and correct reconstruction of surface potential is crucial to the quantitative analysis of KPFM results.

  2. Design and verification of the miniature optical system for small object surface profile fast scanning

    Science.gov (United States)

    Chi, Sheng; Lee, Shu-Sheng; Huang, Jen, Jen-Yu; Lai, Ti-Yu; Jan, Chia-Ming; Hu, Po-Chi

    2016-04-01

    +/-10μm, and the scanning time for each surface of an object was less than 15 seconds. This has proved that our system own the potential to be a fast scanning scanner for small object surface profile scanning.

  3. Monitoring of temperature profiles and surface morphologies during laser sintering of alumina ceramics

    Directory of Open Access Journals (Sweden)

    Bin Qian

    2014-06-01

    Full Text Available Additive manufacturing of alumina by laser is a delicate process and small changes of processing parameters might cause less controlled and understood consequences. The real-time monitoring of temperature profiles, spectrum profiles and surface morphologies were evaluated in off-axial set-up for controlling the laser sintering of alumina ceramics. The real-time spectrometer and pyrometer were used for rapid monitoring of the thermal stability during the laser sintering process. An active illumination imaging system successfully recorded the high temperature melt pool and surrounding area simultaneously. The captured images also showed how the defects form and progress during the laser sintering process. All of these real-time monitoring methods have shown a great potential for on-line quality control during laser sintering of ceramics.

  4. Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes.

    Science.gov (United States)

    Kolb, Brian; Marshall, Paul; Zhao, Bin; Jiang, Bin; Guo, Hua

    2017-04-06

    Representation of multidimensional global potential energy surfaces suitable for spectral and dynamical calculations from high-level ab initio calculations remains a challenge. Here, we present a detailed study on constructing potential energy surfaces using a machine learning method, namely, Gaussian process regression. Tests for the 3 A″ state of SH 2 , which facilitates the SH + H ↔ S( 3 P) + H 2 abstraction reaction and the SH + H' ↔ SH' + H exchange reaction, suggest that the Gaussian process is capable of providing a reasonable potential energy surface with a small number (∼1 × 10 2 ) of ab initio points, but it needs substantially more points (∼1 × 10 3 ) to converge reaction probabilities. The implications of these observations for construction of potential energy surfaces are discussed.

  5. Ab initio adiabatic and quasidiabatic potential energy surfaces of H ...

    Indian Academy of Sciences (India)

    s12039-015-1022-8. Ab initio adiabatic and quasidiabatic potential energy surfaces of H. ++. CN system. BHARGAVA ANUSURI and SANJAY KUMAR. ∗. Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036, India.

  6. Self-consistent electronic structure and segregation profiles of the Cu-Ni (001) random-alloy surface

    DEFF Research Database (Denmark)

    Ruban, Andrei; Abrikosov, I. A.; Kats, D. Ya.

    1994-01-01

    -density approximation. Temperature effects were accounted for by means of the cluster-variation method and, for comparison, by mean-field theory. The necessary interaction parameters were calculated by the Connolly-Williams method generalized to the case of a surface of a random alloy. We find the segregation profiles......We have calculated the electronic structure and segregation profiles of the (001) surface of random Cu-Ni alloys with varying bulk concentrations by means of the coherent potential approximation and the linear muffin-tin-orbitals method. Exchange and correlation were included within the local...

  7. Multilineage potential and proteomic profiling of human dental stem cells derived from a single donor.

    Science.gov (United States)

    Patil, Rajreddy; Kumar, B Mohana; Lee, Won-Jae; Jeon, Ryoung-Hoon; Jang, Si-Jung; Lee, Yeon-Mi; Park, Bong-Wook; Byun, June-Ho; Ahn, Chun-Seob; Kim, Jae-Won; Rho, Gyu-Jin

    2014-01-01

    Dental tissues provide an alternative autologous source of mesenchymal stem cells (MSCs) for regenerative medicine. In this study, we isolated human dental MSCs of follicle, pulp and papilla tissue from a single donor tooth after impacted third molar extraction by excluding the individual differences. We then compared the morphology, proliferation rate, expression of MSC-specific and pluripotency markers, and in vitro differentiation ability into osteoblasts, adipocytes, chondrocytes and functional hepatocyte-like cells (HLCs). Finally, we analyzed the protein expression profiles of undifferentiated dental MSCs using 2DE coupled with MALDI-TOF-MS. Three types of dental MSCs largely shared similar morphology, proliferation potential, expression of surface markers and pluripotent transcription factors, and differentiation ability into osteoblasts, adipocytes, and chondrocytes. Upon hepatogenic induction, all MSCs were transdifferentiated into functional HLCs, and acquired hepatocyte functions by showing their ability for glycogen storage and urea production. Based on the proteome profiling results, we identified nineteen proteins either found commonly or differentially expressed among the three types of dental MSCs. In conclusion, three kinds of dental MSCs from a single donor tooth possessed largely similar cellular properties and multilineage potential. Further, these dental MSCs had similar proteomic profiles, suggesting their interchangeable applications for basic research and call therapy. © 2013 Published by Elsevier Inc.

  8. Surface motion and confinement potential for a microwave confined corona

    International Nuclear Information System (INIS)

    Ensley, D.L.

    1979-07-01

    Approximate time dependent solutions for surface velocities and potentials are given for a plane polarized microwave field confining a hot, over-dense plasma corona. Steady state solutions to Poissons' equation can be applied to the time dependent case, provided transit time effects are included. The product of ion pressure and potential wave (surface) velocity gives an average heating rate approx. 7/32 NKT 0 V/sub theta/ directly to the ions

  9. Two-dimensional potential and charge distributions of positive surface streamer

    International Nuclear Information System (INIS)

    Tanaka, Daiki; Matsuoka, Shigeyasu; Kumada, Akiko; Hidaka, Kunihiko

    2009-01-01

    Information on the potential and the field profile along a surface discharge is required for quantitatively discussing and clarifying the propagation mechanism. The sensing technique with a Pockels crystal has been developed for directly measuring the potential and electric field distribution on a dielectric material. In this paper, the Pockels sensing system consists of a pulse laser and a CCD camera for measuring the instantaneous two-dimensional potential distribution on a 25.4 mm square area with a 50 μm sampling pitch. The temporal resolution is 3.2 ns which is determined by the pulse width of the laser emission. The transient change in the potential distribution of a positive surface streamer propagating in atmospheric air is measured with this system. The electric field and the charge distributions are also calculated from the measured potential profile. The propagating direction component of the electric field near the tip of the propagating streamer reaches 3 kV mm -1 . When the streamer stops, the potential distribution along a streamer forms an almost linear profile with the distance from the electrode, and its gradient is about 0.5 kV mm -1 .

  10. Potential utility of the thematic mapper for surface mine monitoring

    International Nuclear Information System (INIS)

    Irons, J.R.; Lachowski, H.M.

    1981-01-01

    One of many potential applications of the thematic mapper (TM) is surface mine monitoring. To assess this potential, data acquired by an aircraft multispectral scanner over Pennsylvania surface mines were preprocessed to simulate the anticipated spectral, spatial, and radiometric characteristics of TM data. False color imagery and thematic maps were derived from the simulated data and compared to imagery and maps derived from LANDSAT multispectral scanner subsystems data. On the basis of this comparison, TM data should definitely increase the detail and accuracy of remotely acquired surface mine information and may enable the remote determination of compliance with reclamation regulations

  11. Osteogenic potential of laser modified and conditioned titanium zirconium surfaces

    Directory of Open Access Journals (Sweden)

    P David Charles

    2016-01-01

    Full Text Available Statement of Problem: The osseointegration of dental implant is related to their composition and surface treatment. Titanium zirconium (TiZr has been introduced as an alternative to the commercially pure titanium and its alloys as dental implant material, which is attributed to its superior mechanical and biological properties. Surface treatments of TiZr have been introduced to enhance their osseointegration ability; however, reliable, easy to use surface modification technique has not been established. Purpose: The purpose of this study was to evaluate and compare the effect of neodymium-doped yttrium aluminum garnet (Nd-YAG laser surface treatment of TiZr implant alloy on their osteogenic potential. Materials and Methods: Twenty disc-shaped samples of 5 mm diameter and 2 mm height were milled from the TiZr alloy ingot. The polished discs were ultrasonically cleaned in distilled water. Ten samples each were randomly selected as Group A control samples and Group B consisted of Nd-YAG laser surface etched and conditioned test samples. These were evaluated for cellular response. Cellular adhesion and proliferation were quantified, and the results were statistically analyzed using nonparametric analysis. Cellular morphology was observed using electron and epiflurosence microscopy. Results: Nd-YAG laser surface modified and conditioned TiZr samples increased the osteogenic potential. Conclusion: Nd-YAG laser surface modification of TiZr, improves the cellular activity, surface roughness, and wettability, thereby increasing the osteogenic potential.

  12. Ab initio Potential Energy Surface for H-H2

    Science.gov (United States)

    Partridge, Harry; Bauschlicher, Charles W., Jr.; Stallcop, James R.; Levin, Eugene

    1993-01-01

    Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- (mu)E(sub h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(sub 0) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.

  13. Self-consistent density functional calculation of the image potential at a metal surface

    Energy Technology Data Exchange (ETDEWEB)

    Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

    2007-07-04

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

  14. Self-consistent density functional calculation of the image potential at a metal surface

    International Nuclear Information System (INIS)

    Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

    2007-01-01

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

  15. Implication of Land Use and Belowground Weather on Nitrous Oxide Soil Depth Profiles and Denitrification Potential

    Science.gov (United States)

    Phillips, R. L.; Song, B.; Saliendra, N.; Liebig, M. A.

    2013-12-01

    oxygen profiles followed similar patterns for cropland and prairie, ranging from 12 to 21%, with median values of 19 and 20% at both depths. We did not observe linear concentration gradients between 15 and 90 cm depths, likely due to differences in rates of production and consumption throughout the soil profile. Potential rates of denitrification at 0-15 cm were over two times higher in the cropland, as compared to prairie. We conclude that N2O production occurs not only close to the surface but also nearly a meter beneath both undisturbed prairie and cropland. Greater surface fluxes and N2O concentrations at all depths in the cropland under variable conditions point to enhanced N2O production in the absence of synthetic N addition from 2009-2013. While denitrification potential in the laboratory was greater beneath this alfalfa field, the soil oxygen profile measurements indicated conditions favorable for complete denitrification of N to N2 were rare at near-surface and sub-surface soil depths. Microbial N2O production and consumption processes vary with soil depth and land use in the absence of synthetic N inputs, and further investigation is warranted.

  16. Indirect measurement of near-surface velocity and pressure fields based on measurement of moving free surface profiles

    International Nuclear Information System (INIS)

    Sibamoto, Yasuteru; Nakamura, Hideo

    2005-01-01

    A non-intrusive technique for measurement of the velocity and pressure fields adjacent to a moving fluid surface is developed. The technique is based on the measurement of fluid surface profile. The velocity and pressure fields are derived with use of the boundary element method (BEM) by seeking for an incompressible flow field that satisfies the kinematic boundary condition imposed by the time-dependent fluid surface profile. The proposed technique is tested by deriving the velocity and pressure fields inversely from the fluid surface profiles obtained by a forward BEM calculation of fluid surface response to externally-imposed pressure. The inverse calculation results show good agreement with the imposed pressure distribution in the forward calculation. (author)

  17. Multilineage potential and proteomic profiling of human dental stem cells derived from a single donor

    Energy Technology Data Exchange (ETDEWEB)

    Patil, Rajreddy; Kumar, B. Mohana; Lee, Won-Jae; Jeon, Ryoung-Hoon; Jang, Si-Jung; Lee, Yeon-Mi [Department of Theriogenology and Biotechnology, College of Veterinary Medicine, Gyeongsang National University, Jinju 660-701 (Korea, Republic of); Park, Bong-Wook; Byun, June-Ho [Department of Oral and Maxillofacial Surgery, School of Medicine and Institute of Health Science, Gyeongsang National University, Jinju 660-702 (Korea, Republic of); Ahn, Chun-Seob; Kim, Jae-Won [Department of Microbiology, Division of Life Sciences, Research Institute of Life Science, Gyeongsang National University, Jinju 660-701 (Korea, Republic of); Rho, Gyu-Jin, E-mail: jinrho@gnu.ac.kr [Department of Theriogenology and Biotechnology, College of Veterinary Medicine, Gyeongsang National University, Jinju 660-701 (Korea, Republic of); Research Institute of Life Sciences, Gyeongsang National University, Jinju 660-701 (Korea, Republic of)

    2014-01-01

    Dental tissues provide an alternative autologous source of mesenchymal stem cells (MSCs) for regenerative medicine. In this study, we isolated human dental MSCs of follicle, pulp and papilla tissue from a single donor tooth after impacted third molar extraction by excluding the individual differences. We then compared the morphology, proliferation rate, expression of MSC-specific and pluripotency markers, and in vitro differentiation ability into osteoblasts, adipocytes, chondrocytes and functional hepatocyte-like cells (HLCs). Finally, we analyzed the protein expression profiles of undifferentiated dental MSCs using 2DE coupled with MALDI-TOF-MS. Three types of dental MSCs largely shared similar morphology, proliferation potential, expression of surface markers and pluripotent transcription factors, and differentiation ability into osteoblasts, adipocytes, and chondrocytes. Upon hepatogenic induction, all MSCs were transdifferentiated into functional HLCs, and acquired hepatocyte functions by showing their ability for glycogen storage and urea production. Based on the proteome profiling results, we identified nineteen proteins either found commonly or differentially expressed among the three types of dental MSCs. In conclusion, three kinds of dental MSCs from a single donor tooth possessed largely similar cellular properties and multilineage potential. Further, these dental MSCs had similar proteomic profiles, suggesting their interchangeable applications for basic research and call therapy. - Highlights: • Isolated and characterized three types of human dental MSCs from a single donor. • MSCs of dental follicle, pulp and papilla had largely similar biological properties. • All MSCs were capable of transdifferentiating into functional hepatocyte-like cells. • 2DE proteomics with MALDI-TOF/MS identified 19 proteins in three types of MSCs. • Similar proteomic profiles suggest interchangeable applications of dental MSCs.

  18. Multilineage potential and proteomic profiling of human dental stem cells derived from a single donor

    International Nuclear Information System (INIS)

    Patil, Rajreddy; Kumar, B. Mohana; Lee, Won-Jae; Jeon, Ryoung-Hoon; Jang, Si-Jung; Lee, Yeon-Mi; Park, Bong-Wook; Byun, June-Ho; Ahn, Chun-Seob; Kim, Jae-Won; Rho, Gyu-Jin

    2014-01-01

    Dental tissues provide an alternative autologous source of mesenchymal stem cells (MSCs) for regenerative medicine. In this study, we isolated human dental MSCs of follicle, pulp and papilla tissue from a single donor tooth after impacted third molar extraction by excluding the individual differences. We then compared the morphology, proliferation rate, expression of MSC-specific and pluripotency markers, and in vitro differentiation ability into osteoblasts, adipocytes, chondrocytes and functional hepatocyte-like cells (HLCs). Finally, we analyzed the protein expression profiles of undifferentiated dental MSCs using 2DE coupled with MALDI-TOF-MS. Three types of dental MSCs largely shared similar morphology, proliferation potential, expression of surface markers and pluripotent transcription factors, and differentiation ability into osteoblasts, adipocytes, and chondrocytes. Upon hepatogenic induction, all MSCs were transdifferentiated into functional HLCs, and acquired hepatocyte functions by showing their ability for glycogen storage and urea production. Based on the proteome profiling results, we identified nineteen proteins either found commonly or differentially expressed among the three types of dental MSCs. In conclusion, three kinds of dental MSCs from a single donor tooth possessed largely similar cellular properties and multilineage potential. Further, these dental MSCs had similar proteomic profiles, suggesting their interchangeable applications for basic research and call therapy. - Highlights: • Isolated and characterized three types of human dental MSCs from a single donor. • MSCs of dental follicle, pulp and papilla had largely similar biological properties. • All MSCs were capable of transdifferentiating into functional hepatocyte-like cells. • 2DE proteomics with MALDI-TOF/MS identified 19 proteins in three types of MSCs. • Similar proteomic profiles suggest interchangeable applications of dental MSCs

  19. Career Profiles of Generation Y and Their Potential Influencers

    Directory of Open Access Journals (Sweden)

    Helena Talita Dante Cordeiro

    2017-10-01

    Full Text Available This study aims to identify the predominant career profiles among Generation Y in Brazil and investigate the influence of demographic and professional characteristics in these profiles. Career profiles are defined as combinations of the presence of Boundaryless and Protean career attitudes. This study is descriptive, the sample is non-probabilistic and intentional and consists of 2,376 people. Cluster Analysis and Chi-square tests were used. The results show that people from Generation Y have a high presence of attitudes related to new careers and that these new careers are associated with high education and high income, mainly the Boundaryless career. However, there is a small portion of the sample that doesn’t present new career attitudes, indicating that this is just a movement and cannot be considered a reality for all studied subjects.

  20. Intermolecular potential energy surface for CS2 dimer.

    Science.gov (United States)

    Farrokhpour, Hossein; Mombeini, Zainab; Namazian, Mansoor; Coote, Michelle L

    2011-04-15

    A new four-dimensional intermolecular potential energy surface for CS(2) dimer is obtained by ab initio calculation of the interaction energies for a range of configurations and center-of-mass separation distances for the first time. The calculations were performed using the supermolecular approach at the Møller-Plesset second-order perturbation (MP2) level of theory with the augmented correlation consistent basis sets (aug-cc-pVxZ, x = D, T) and corrected for the basis-set superposition error using the full counterpoise correction method. A two-point extrapolation method was used to extrapolate the calculated energy points to the complete basis set limit. The effect of using the higher levels of theory, quadratic configuration interaction containing single, double, and perturbative triple excitations QCISD(T) and coupled cluster singles, doubles and perturbative triples excitations CCSD(T), on the shape of potential energy surface was investigated. It is shown that the MP2 level of theory apparently performs extremely poorly for describing the intermolecular potential energy surface, overestimating the total energy by a factor of nearly 1.73 in comparison with the QCISD(T) and CCSD(T) values. The value of isotropic dipole-dipole dispersion coefficient (C(6) ) of CS(2) fluid was obtained from the extrapolated MP2 potential energy surface. The MP2 extrapolated energy points were fitted to well-known analytical potential functions using two different methods to represent the potential energy surface analytically. The most stable configuration of the dimer was determined at R = 6.23 au, α = 90°, β = 90°, and γ = 90°, with a well depth of 3.980 kcal mol(-1) at the MP2 level of theory. Finally, the calculated second virial coefficients were compared with experimental values to test the quality of the presented potential energy surface. Copyright © 2010 Wiley Periodicals, Inc.

  1. Potential of capillary electrophoresis for the profiling of propolis

    NARCIS (Netherlands)

    Hilhorst, M.J; Somsen, G.W; de Jong, G.J.

    1998-01-01

    The usefulness of capillary electrophoresis (CE) with diode array detection for the profiling of Propolis, a hive product, is investigated. Water extracts of Propolis were analyzed with both capillary zone electrophoresis (CZE) at pH 7.0 and 9.3, and micellar electrokinetic chromatography (MEKC)

  2. The Contribution of Surface Potential to Diverse Problems in Electrostatics

    Science.gov (United States)

    Horenstein, M.

    2015-10-01

    Electrostatics spans many different subject areas. Some comprise “good electrostatics,” where charge is used for desirable purposes. Such areas include industrial manufacturing, electrophotography, surface modification, precipitators, aerosol control, and MEMS. Other areas comprise “bad electrostatics,” where charge is undesirable. Such areas include hazardous discharges, ESD, health effects, nuisance triboelectrification, particle contamination, and lightning. Conference proceedings such as this one inevitably include papers grouped around these topics. One common thread throughout is the surface potential developed when charge resides on an insulator surface. Often, the charged insulator will be in intimate contact with a ground plane. At other times, the charged insulator will be isolated. In either case, the resulting surface potential is important to such processes as propagating brush discharges, charge along a moving web, electrostatic biasing effects in MEMS, non-contacting voltmeters, field-effect transistor sensors, and the maximum possible charge on a woven fabric.

  3. Surface antireflection properties of GaN nanostructures with various effective refractive index profiles.

    Science.gov (United States)

    Han, Lu; Zhao, Hongping

    2014-12-29

    GaN nanostructures with various effective refractive index profiles (Linear, Cubic, and Quintic functions) were numerically studied as broadband omnidirectional antireflection structures for concentrator photovoltaics by using three-dimensional finite difference time domain (3D-FDTD) method. Effective medium theory was used to design the surface structures corresponding to different refractive index profiles. Surface antireflection properties were calculated and analyzed for incident light with wavelength, polarization and angle dependences. The surface antireflection properties of GaN nanostructures based on six-sided pyramid with both uniform and non-uniform patterns were also investigated. Results indicate a significant dependence of the surface antireflection on the refractive index profiles of surface nanostructures as well as their pattern uniformity. The GaN nanostructures with linear refractive index profile show the best performance to be used as broadband omnidirectional antireflection structures.

  4. Surface potential domains on lamellar P3OT structures

    International Nuclear Information System (INIS)

    Perez-GarcIa, B; Abad, J; Urbina, A; Colchero, J; Palacios-Lidon, E

    2008-01-01

    In this work the electrostatic properties of poly(3-octylthiophene) thin films have been studied on a nanometer scale by means of electrostatic force microscopy and Kelvin probe microscopy (KPM). The KPM images reveal that different surface contact potential domains coexist on the polymer surface. This result, together with additional capacitance measurements, indicates that the potential domains are related to the existence of dipoles due to different molecular arrangements. Finally, capacitance measurements as a function of the tip-sample bias voltage show that in all regions large band bending effects take place

  5. Surface potential domains on lamellar P3OT structures

    Energy Technology Data Exchange (ETDEWEB)

    Perez-GarcIa, B [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Abad, J [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Urbina, A [Departamento Electronica, TecnologIa de Computadoras y Proyectos, Universidad Politecnica de Cartagena, E-30202 Cartagena (Spain); Colchero, J [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Palacios-Lidon, E [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain)

    2008-02-13

    In this work the electrostatic properties of poly(3-octylthiophene) thin films have been studied on a nanometer scale by means of electrostatic force microscopy and Kelvin probe microscopy (KPM). The KPM images reveal that different surface contact potential domains coexist on the polymer surface. This result, together with additional capacitance measurements, indicates that the potential domains are related to the existence of dipoles due to different molecular arrangements. Finally, capacitance measurements as a function of the tip-sample bias voltage show that in all regions large band bending effects take place.

  6. He-, Ne-, and Ar-phosgene intermolecular potential energy surfaces

    DEFF Research Database (Denmark)

    Munteanu, Cristian R.; Henriksen, Christian; Felker, Peter M.

    2013-01-01

    Using the CCSD(T) model, we evaluated the intermolecular potential energy surfaces of the He-, Ne-, and Ar-phosgene complexes. We considered a representative number of intermolecular geometries for which we calculated the corresponding interaction energies with the augmented (He complex) and double......-phosgene surfaces were found to have absolute minima of -72.1, -140.4, and -326.6 cm -1 at distances between the rare-gas atom and the phosgene center of mass of 3.184, 3.254, and 3.516 Å, respectively. The potentials were further used in the evaluation of rovibrational states and the rotational constants...

  7. An adaptive interpolation scheme for molecular potential energy surfaces

    Science.gov (United States)

    Kowalewski, Markus; Larsson, Elisabeth; Heryudono, Alfa

    2016-08-01

    The calculation of potential energy surfaces for quantum dynamics can be a time consuming task—especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm based on polyharmonic splines combined with a partition of unity approach. The adaptive node refinement allows to greatly reduce the number of sample points by employing a local error estimate. The algorithm and its scaling behavior are evaluated for a model function in 2, 3, and 4 dimensions. The developed algorithm allows for a more rapid and reliable interpolation of a potential energy surface within a given accuracy compared to the non-adaptive version.

  8. Temperature profiles on the gadolinium surface during electron beam evaporation

    International Nuclear Information System (INIS)

    Ohba, Hironori; Shibata, Takemasa

    1995-01-01

    The distributions of surface temperature of gadolinium in a water-cooled copper crucible during electron beam evaporation were measured by optical pyrometry. The surface temperatures were obtained from the radiation intensity ratio of the evaporating surface and a reference light source using Planck's law of radiation. The emitted radiation from the evaporating surface and a reference source was detected by a CCD sensor through a band pass filter of 650 nm. The measured surface temperature generally agreed with those estimated from the deposition rate and the data of the saturated vapor pressure. At high input powers, it was found that the measured value had small difference with the estimated one due to variation of the surface condition. (author)

  9. Reversible Compositional Control of Oxide Surfaces by Electrochemical Potentials

    KAUST Repository

    Mutoro, Eva

    2012-01-05

    Perovskite oxides can exhibit a wide range of interesting characteristics such as being catalytically active and electronically/ionically conducting, and thus, they have been used in a number of solid-state devices such as solid oxide fuel cells (SOFCs) and sensors. As the surface compositions of perovskites can greatly influence the catalytic properties, knowing and controlling their surface compositions is crucial to enhance device performance. In this study, we demonstrate that the surface strontium (Sr) and cobalt (Co) concentrations of perovskite-based thin films can be controlled reversibly at elevated temperatures by applying small electrical potential biases. The surface compositional changes of La 0.8Sr 0.2CoO 3-δ (LSC 113), (La 0.5Sr 0.5) 2CoO 4±δ (LSC 214), and LSC 214-decorated LSC 113 films (LSC 113/214) were investigated in situ by utilizing synchrotron-based X-ray photoelectron spectroscopy (XPS), where the largest changes of surface Sr were found for the LSC 113/214 surface. These findings offer the potential of reversibly controlling the surface functionality of perovskites. © 2011 American Chemical Society.

  10. Effective medium potentials for molecule-surface interactions: H2 on Cu and Ni surfaces

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet

    1989-01-01

    outside metal surfaces and the applicability is illustrated for H2 adsorbing on various Cu and Ni surfaces. Although very approximate, the calculated potentials seem to include a number of features observed experimentally: Ni is more active in dissociating H2 than Cu, and open surfaces are more active...... than close-packed ones. Moreover, the method is simple enough that one can contemplate studying variations in dissociation pathways over the surface unit cell. For the Cu surfaces these variations are substantial accounting for at least part of the variation of the sticking coefficient with the kinetic...

  11. Lunar Surface Potential Increases during Terrestrial Bow Shock Traversals

    Science.gov (United States)

    Collier, Michael R.; Stubbs, Timothy J.; Hills, H. Kent; Halekas, Jasper; Farrell, William M.; Delory, Greg T.; Espley, Jared; Freeman, John W.; Vondrak, Richard R.; Kasper, Justin

    2009-01-01

    Since the Apollo era the electric potential of the Moon has been a subject of interest and debate. Deployed by three Apollo missions, Apollo 12, Apollo 14 and Apollo 15, the Suprathermal Ion Detector Experiment (SIDE) determined the sunlit lunar surface potential to be about +10 Volts using the energy spectra of lunar ionospheric thermal ions accelerated toward the Moon. We present an analysis of Apollo 14 SIDE "resonance" events that indicate the lunar surface potential increases when the Moon traverses the dawn bow shock. By analyzing Wind spacecraft crossings of the terrestrial bow shock at approximately this location and employing current balancing models of the lunar surface, we suggest causes for the increasing potential. Determining the origin of this phenomenon will improve our ability to predict the lunar surface potential in support of human exploration as well as provide models for the behavior of other airless bodies when they traverse similar features such as interplanetary shocks, both of which are goals of the NASA Lunar Science Institute's Dynamic Response of the Environment At the Moon (DREAM) team.

  12. Combined analysis of surface reflection imaging and vertical seismic profiling at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Daley, T.M.; Majer, E.L.; Karageorgi, E.

    1994-08-01

    This report presents results from surface and borehole seismic profiling performed by the Lawrence Berkeley Laboratory (LBL) on Yucca Mountain. This work was performed as part of the site characterization effort for the potential high-level nuclear waste repository. Their objective was to provide seismic imaging from the near surface (200 to 300 ft. depth) to the repository horizon and below, if possible. Among the issues addressed by this seismic imaging work are location and depth of fracturing and faulting, geologic identification of reflecting horizons, and spatial continuity of reflecting horizons. The authors believe their results are generally positive, with tome specific successes. This was the first attempt at this scale using modem seismic imaging techniques to determine geologic features on Yucca Mountain. The principle purpose of this report is to present the interpretation of the seismic reflection section in a geologic context. Three surface reflection profiles were acquired and processed as part of this study. Because of environmental concerns, all three lines were on preexisting roads. Line 1 crossed the mapped surface trace of the Ghost Dance fault and it was intended to study the dip and depth extent of the fault system. Line 2 was acquired along Drill Hole wash and was intended to help the ESF north ramp design activities. Line 3 was acquired along Yucca Crest and was designed to image geologic horizons which were thought to be less faulted along the ridge. Unfortunately, line 3 proved to have poor data quality, in part because of winds, poor field conditions and limited time. Their processing and interpretation efforts were focused on lines 1 and 2 and their associated VSP studies

  13. Surface potential of the water liquid-vapor interface

    Science.gov (United States)

    Wilson, Michael A.; Pohorille, Andrew; Pratt, Lawrence R.

    1988-01-01

    An analysis of an extended molecular dynamics calculation of the surface potential (SP) of the water liquid-vapor interface is presented. The SP predicted by the TIP4P model is -(130 + or - 50) mV. This value is of reasonable magnitude but of opposite sign to the expectations based on laboratory experiments. The electrostatic potential shows a nonmonotonic variation with depth into the liquid.

  14. The size prediction of potential inclusions embedded in the sub-surface of fused silica by damage morphology

    Directory of Open Access Journals (Sweden)

    Gao Xiang

    2017-04-01

    Full Text Available A model for predicting the size ranges of different potential inclusions initiating damage on the surface of fused silica has been presented. This accounts for the heating of nanometric inclusions whose absorptivity is described based on Mie Theory. The depth profile of impurities has been measured by ICP-OES. By the measured temporal pulse profile on the surface of fused silica, the temperature and thermal stress has been calculated. Furthermore, considering the limit conditions of temperature and thermal stress strength for different damage morphologies, the size range of potential inclusions for fused silica is discussed.

  15. The size prediction of potential inclusions embedded in the sub-surface of fused silica by damage morphology

    Science.gov (United States)

    Gao, Xiang; Qiu, Rong; Wang, Kunpeng; Zhang, Jiangmei; Zhou, Guorui; Yao, Ke; Jiang, Yong; Zhou, Qiang

    2017-04-01

    A model for predicting the size ranges of different potential inclusions initiating damage on the surface of fused silica has been presented. This accounts for the heating of nanometric inclusions whose absorptivity is described based on Mie Theory. The depth profile of impurities has been measured by ICP-OES. By the measured temporal pulse profile on the surface of fused silica, the temperature and thermal stress has been calculated. Furthermore, considering the limit conditions of temperature and thermal stress strength for different damage morphologies, the size range of potential inclusions for fused silica is discussed.

  16. Tuning the surface potential of Ag surfaces by chemisorption of oppositely-oriented thiolated carborane dipoles

    Czech Academy of Sciences Publication Activity Database

    Lübben, J.F.; Baše, Tomáš; Rupper, P.; Künniger, T.; Macháček, Jan; Guimond, S.

    2011-01-01

    Roč. 354, č. 1 (2011), s. 168-174 ISSN 0021-9797 R&D Projects: GA AV ČR(CZ) IAA400320901 Keywords : Adsorption * Thiolated carboranes * Silver surface * Surface potential * X-ray photoelectron spectroscopy Subject RIV: CA - Inorganic Chemistry Impact factor: 3.070, year: 2011

  17. Agronomic potential of some agricultural wastes as surface mulches ...

    African Journals Online (AJOL)

    Studies were carried out at the Teaching and Research Farm of the University of Cape Coast, in the minor seasons of 1992 and 1993, to assess the agronomic potential of some common agricultural wastes as surface mulches in terms of weed control, nematode population in soil, root-knot incidence and growth and yield of ...

  18. Profiling application potential for alkali treated sisal fiber ...

    African Journals Online (AJOL)

    ATHARVA

    Keywords: Ashby plot, Weibull analysis, sisal-fiber composite, alkali treatment. DOI: http://dx.doi.org/10.4314/ijest.v9i3.4. 1. Introduction. Presently, there is an ever-increasing demand for .... identify potential causal to degradation of the fiber structural integrity, and subsequently assign market application potential of the.

  19. In Situ Aerosol Profile Measurements and Comparisons with SAGE 3 Aerosol Extinction and Surface Area Profiles at 68 deg North

    Science.gov (United States)

    2005-01-01

    Under funding from this proposal three in situ profile measurements of stratospheric sulfate aerosol and ozone were completed from balloon-borne platforms. The measured quantities are aerosol size resolved number concentration and ozone. The one derived product is aerosol size distribution, from which aerosol moments, such as surface area, volume, and extinction can be calculated for comparison with SAGE III measurements and SAGE III derived products, such as surface area. The analysis of these profiles and comparison with SAGE III extinction measurements and SAGE III derived surface areas are provided in Yongxiao (2005), which comprised the research thesis component of Mr. Jian Yongxiao's M.S. degree in Atmospheric Science at the University of Wyoming. In addition analysis continues on using principal component analysis (PCA) to derive aerosol surface area from the 9 wavelength extinction measurements available from SAGE III. Ths paper will present PCA components to calculate surface area from SAGE III measurements and compare these derived surface areas with those available directly from in situ size distribution measurements, as well as surface areas which would be derived from PCA and Thomason's algorithm applied to the four wavelength SAGE II extinction measurements.

  20. The deconvolution of sputter-etching surface concentration measurements to determine impurity depth profiles

    International Nuclear Information System (INIS)

    Carter, G.; Katardjiev, I.V.; Nobes, M.J.

    1989-01-01

    The quasi-linear partial differential continuity equations that describe the evolution of the depth profiles and surface concentrations of marker atoms in kinematically equivalent systems undergoing sputtering, ion collection and atomic mixing are solved using the method of characteristics. It is shown how atomic mixing probabilities can be deduced from measurements of ion collection depth profiles with increasing ion fluence, and how this information can be used to predict surface concentration evolution. Even with this information, however, it is shown that it is not possible to deconvolute directly the surface concentration measurements to provide initial depth profiles, except when only ion collection and sputtering from the surface layer alone occur. It is demonstrated further that optimal recovery of initial concentration depth profiles could be ensured if the concentration-measuring analytical probe preferentially sampled depths near and at the maximum depth of bombardment-induced perturbations. (author)

  1. Comparison of two methods of surface profile extraction from multiple ultrasonic range measurements

    NARCIS (Netherlands)

    Barshan, B; Baskent, D

    Two novel methods for surface profile extraction based on multiple ultrasonic range measurements are described and compared. One of the methods employs morphological processing techniques, whereas the other employs a spatial voting scheme followed by simple thresholding. Morphological processing

  2. On the extension of the wind profile over homogeneous terrain beyond the surface boundary layer

    DEFF Research Database (Denmark)

    Gryning, Sven-Erik; Batchvarova, Ekaterina; Brümmer, B.

    2007-01-01

    Analysis of profiles of meteorological measurements from a 160 m high mast at the National Test Site for wind turbines at H phi vs phi re (Denmark) and at a 250 m high TV tower at Hamburg (Germany) shows that the wind profile based on surface-layer theory and Monin-Obukhov scaling is valid up to ...

  3. Clonal analyses and gene profiling identify genetic biomarkers of human brown and white preadipocyte thermogenic potential

    Science.gov (United States)

    Xue, Ruidan; Lynes, Matthew D.; Dreyfuss, Jonathan M.; Shamsi, Farnaz; Schulz, Tim J.; Zhang, Hongbin; Huang, Tian Lian; Townsend, Kristy L.; Li, Yiming; Takahashi, Hirokazu; Weiner, Lauren S.; White, Andrew P.; Lynes, Maureen S.; Rubin, Lee L.; Goodyear, Laurie J.; Cypess, Aaron M.; Tseng, Yu-Hua

    2015-01-01

    Targeting brown adipose tissue (BAT) content or activity has therapeutic potential for treating obesity and the metabolic syndrome by increasing energy expenditure. Both inter- and intra-individual differences contribute to heterogeneity in human BAT and potentially to differential thermogenic capacity in human populations. Here, we demonstrated the generated clones of brown and white preadipocytes from human neck fat of four individuals and characterized their adipogenic differentiation and thermogenic function. Combining an uncoupling protein 1(UCP1) reporter system and expression profiling, we defined novel sets of gene signatures in human preadipocytes that could predict the thermogenic potential of the cells once they were maturated in culture. Knocking out the positive UCP1 regulators identified by this approach, PREX1 and EDNRB in brown preadipocytes using CRISPR/Cas9 markedly abolished the high level of UCP1 in brown adipocytes differentiated from the preadipocytes. Finally, we were able to prospectively isolate adipose progenitors with great thermogenic potential using cell surface marker CD29. These data provide new insights into the cellular heterogeneity in human fat and offer the identification of possible biomarkers of thermogenically competent preadipocytes. PMID:26076036

  4. Constructing ab initio and empirical potential energy surfaces for water

    International Nuclear Information System (INIS)

    Kain, Jacqueline Sophie

    2001-01-01

    The infrared spectrum of water is possibly one of the most well studied and yet portions of it are still poorly understood. Recently, significant advances have been made in assigning water spectra using variational nuclear calculations. The major factor determining the accuracy of ro-vibrational spectra of water is the accuracy of the underlying Potential Energy Surface. Even the most accurate ab initio Potential Energy Surface does not reproduce the Born-Oppenheimer surface to sufficient accuracy for spectroscopic studies. Furthermore, effects beyond this model such as the adiabatic correction, the relativistic correction and the non-adiabatic correction have to be considered. This thesis includes a discussion on how the relativistic correction was calculated, for the water molecule, from first-order perturbation theory. The relativistic correction improved vibrational stretching motion while making the prediction of the bending modes far worse. For rotational motion the relativistic effect had an increasing effect with increasing Ka. A further alteration to the ab initio calculations is introduced by adjusting the barrier to linearity in the water potential. This alteration to the barrier was considered in order to compensate for the lack of convergence of quantum chemical calculations of the Born-Oppenheimer surface. This barrier attempts to represent the change in the potential from linear to equilibrium. We show the improvements this has on the calculated energy levels by comparison with the HITRAN database. This then led the way to the improved spectroscopic potential presented here in this thesis. This new spectroscopic potential reduces the overall standard deviation significantly for vibrational and rotational energy levels. (author)

  5. Differential protein profiling as a potential multi-marker approach for TSE diagnosis

    Directory of Open Access Journals (Sweden)

    Hogarth Caroline

    2009-11-01

    Full Text Available Abstract Background Transmissible spongiform encephalopathy describes a family of diseases affecting both man and animals. Current tests for the diagnosis of these diseases are based on the detection of an abnormal misfolded form of the host protein PrP which is found within the central nervous and lymphoreticular systems of affected animals. Recently, concern that this marker may not be as reliable as previously thought, coupled with an urgentneed for a pre-clinical live animal test, has led to the search for alternative assays for the detection of TSE disease. Methods This "proof of concept" study, examines the use of differential protein expression profiling using surface enhanced laser desorption and ionisationtime of flight mass spectrometry (SELDI-TOF for the diagnosis of TSE disease. Spectral output from all proteins selectively captured from individual murine brain homogenate samples, are compared as "profiles" in groups of infected and non-infected animals. Differential protein expression between groups is thus highlighted and statistically significant protein "peaks" used to construct a panel of disease specific markers. Studies at both terminal stages of disease and throughout the time course of disease have shown a disease specific protein profile or "disease fingerprint" which could be used to distinguish between groups of TSE infected and uninfected animals at an early time point of disease. Results Our results show many differentially expressed proteins in diseased and control animals, some at early stages of disease. Three proteins identified by SELDI-TOF analysis were verified by immunohistochemistry in brain tissue sections. We demonstrate that by combining the most statistically significant changes in expression, a panel of markers can be constructed that can distinguish between TSE diseased and normal animals. Conclusion Differential protein expression profiling has the potential to be used for the detection of disease in TSE

  6. Can atom-surface potential measurements test atomic structure models?

    Science.gov (United States)

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D

    2011-06-30

    van der Waals (vdW) atom-surface potentials can be excellent benchmarks for atomic structure calculations. This is especially true if measurements are made with two different types of atoms interacting with the same surface sample. Here we show theoretically how ratios of vdW potential strengths (e.g., C₃(K)/C₃(Na)) depend sensitively on the properties of each atom, yet these ratios are relatively insensitive to properties of the surface. We discuss how C₃ ratios depend on atomic core electrons by using a two-oscillator model to represent the contribution from atomic valence electrons and core electrons separately. We explain why certain pairs of atoms are preferable to study for future experimental tests of atomic structure calculations. A well chosen pair of atoms (e.g., K and Na) will have a C₃ ratio that is insensitive to the permittivity of the surface, whereas a poorly chosen pair (e.g., K and He) will have a ratio of C₃ values that depends more strongly on the permittivity of the surface.

  7. Seasonality in onshore normalized wind profiles above the surface layer

    DEFF Research Database (Denmark)

    Nissen, Jesper Nielsen; Gryning, Sven-Erik

    2010-01-01

    This work aims to study the seasonal difference in normalized wind speed above the surface layer as it is observed at the 160 m high mast at the coastal site Høvsøre at winds from the sea (westerly). Normalized and stability averaged wind speeds above the surface layer are observed to be 20 to 50......% larger in the winter/spring seasons compared to the summer/autumn seasons at winds from west within the same atmospheric stability class. A method combining the mesoscale model, COAMPS, and observations of the surface stability of the marine boundary layer is presented. The objective of the method...... is to reconstruct the seasonal signal in normalized wind speed and identify the physical process behind. The method proved reasonably successful in capturing the relative difference in wind speed between seasons, indicating that the simulated physical processes are likely candidates to the observed seasonal signal...

  8. Optimization for sinusoidal profiles in surface relief gratings ...

    Indian Academy of Sciences (India)

    2014-02-07

    Feb 7, 2014 ... ometric pattern in photosensitive materials such as photoresists and many other types of photopolymers that are capable of generating surface relief structures. Indigenous devel- opment of such diffraction gratings has been taken up in our department for laser and spectroscopic applications. The purpose ...

  9. Surface density profile and surface tension of the one-component classical plasma

    International Nuclear Information System (INIS)

    Ballone, P.; Senatore, G.; Trieste Univ.; Tosi, M.P.; Oxford Univ.

    1982-08-01

    The density profile and the interfacial tension of two classical plasmas in equilibrium at different densities are evaluated in the square-density-gradient approximation. For equilibrium in the absence of applied external voltage, the profile is oscillatory in the higher-density plasma and the interfacial tension is positive. The amplitude and phase of these oscillations and the magnitude of the interfacial tension are related to the width of the background profile. Approximate representations of the equilibrium profile by matching of its asymptotic forms are analyzed. A comparison with computer simulation data and a critical discussion of a local-density theory are also presented. (author)

  10. Three-dimensional potential energy surface of Ar–CO

    Energy Technology Data Exchange (ETDEWEB)

    Sumiyoshi, Yoshihiro, E-mail: y-sumiyoshi@gunma-u.ac.jp [Division of Pure and Applied Science, Graduate School of Science and Technology, Gunma University, 4-2 Aramaki, Maebashi, Gunma 371-8510 (Japan); Endo, Yasuki [Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902 (Japan)

    2015-01-14

    A three-dimensional intermolecular potential energy surface of the Ar–CO complex has been determined by fitting most of the previously reported spectroscopic data, where observed transition frequencies by microwave, millimeter-wave, submillimeter-wave, and infrared spectroscopy were reproduced simultaneously within their experimental accuracies. A free rotor model Hamiltonian considering all the freedom of motions for an atom-diatom system was applied to calculate vibration-rotation energies. A three-dimensional potential energy surface obtained by ab initio calculations at the CCSD(T)-F12b/aug-cc-pV5Z level of theory was parameterized by a model function consisting of 46 parameters. They were used as initial values for the least-squares analysis of the experimental data. A total of 20 parameters were optimized to reproduce all the spectroscopic data.

  11. Electronic structure, molecular bonding and potential energy surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ruedenberg, K. [Ames Laboratory, IA (United States)

    1993-12-01

    By virtue of the universal validity of the generalized Born-Oppenheimer separation, potential energy surfaces (PES`) represent the central conceptual as well as quantitative entities of chemical physics and provide the basis for the understanding of most physicochemical phenomena in many diverse fields. The research in this group deals with the elucidation of general properties of PES` as well as with the quantitative determination of PES` for concrete systems, in particular pertaining to reactions involving carbon, oxygen, nitrogen and hydrogen molecules.

  12. Surface profiling in mating parts by combined nonabrasive finishing

    Science.gov (United States)

    Smolentsev, EV; Fedonin, ON; Smolentsev, VP

    2017-02-01

    Nonabrasive finishing of precision mating surfaces in locking devices with the use of a combined erosion-chemical process at the first stage of the processing and with the use of anodic dissolution by alternating low-voltage current at the final stage of a refinement operation till gapless joints obtaining is considered. It is shown that the application of electro-erosion, electrochemical and combined nonabrasive finishing in mating parts opens up a possibility to ensure stable impermeability in locking devices on a macro- and micro-level through the method of a substantiated purpose of technological modes. A procedure is created for the development of such modes, and on their basis technological processes for the obtaining of gapless mating surfaces meeting the performance requirements for locking devices are developed. For this purpose, qualitative devices resistant to hostile environment are manufactured that is urgent for the mechanical engineering including repetition work for the equipment of petrochemical industry, transport and household machinery.

  13. Surface deformation during an action potential in pearled cells

    Science.gov (United States)

    Mussel, Matan; Fillafer, Christian; Ben-Porath, Gal; Schneider, Matthias F.

    2017-11-01

    Electric pulses in biological cells (action potentials) have been reported to be accompanied by a propagating cell-surface deformation with a nanoscale amplitude. Typically, this cell surface is covered by external layers of polymer material (extracellular matrix, cell wall material, etc.). It was recently demonstrated in excitable plant cells (Chara braunii) that the rigid external layer (cell wall) hinders the underlying deformation. When the cell membrane was separated from the cell wall by osmosis, a mechanical deformation, in the micrometer range, was observed upon excitation of the cell. The underlying mechanism of this mechanical pulse has, to date, remained elusive. Herein we report that Chara cells can undergo a pearling instability, and when the pearled fragments were excited even larger and more regular cell shape changes were observed (˜10 -100 μ m in amplitude). These transient cellular deformations were captured by a curvature model that is based on three parameters: surface tension, bending rigidity, and pressure difference across the surface. In this paper these parameters are extracted by curve-fitting to the experimental cellular shapes at rest and during excitation. This is a necessary step to identify the mechanical parameters that change during an action potential.

  14. Theoretical studies of potential energy surfaces and computational methods

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, R. [Argonne National Laboratory, IL (United States)

    1993-12-01

    This project involves the development, implementation, and application of theoretical methods for the calculation and characterization of potential energy surfaces involving molecular species that occur in hydrocarbon combustion. These potential energy surfaces require an accurate and balanced treatment of reactants, intermediates, and products. This difficult challenge is met with general multiconfiguration self-consistent-field (MCSCF) and multireference single- and double-excitation configuration interaction (MRSDCI) methods. In contrast to the more common single-reference electronic structure methods, this approach is capable of describing accurately molecular systems that are highly distorted away from their equilibrium geometries, including reactant, fragment, and transition-state geometries, and of describing regions of the potential surface that are associated with electronic wave functions of widely varying nature. The MCSCF reference wave functions are designed to be sufficiently flexible to describe qualitatively the changes in the electronic structure over the broad range of geometries of interest. The necessary mixing of ionic, covalent, and Rydberg contributions, along with the appropriate treatment of the different electron-spin components (e.g. closed shell, high-spin open-shell, low-spin open shell, radical, diradical, etc.) of the wave functions, are treated correctly at this level. Further treatment of electron correlation effects is included using large scale multireference CI wave functions, particularly including the single and double excitations relative to the MCSCF reference space. This leads to the most flexible and accurate large-scale MRSDCI wave functions that have been used to date in global PES studies.

  15. The Mathematical Representation of Wind Speed and Temperature Profiles in the Unstable Atmospheric Surface Layer

    DEFF Research Database (Denmark)

    Paulson, C.A.

    1970-01-01

    Analytical expressions which specify non-dimensionalized wind speed and potential temperature gradients as functions of stability are integrated. The integrated equations are tested against Swinhank's wind and temperature profiles measured at Kerang, Australia. It is found that a representation...... suggested independently by Businger and by Dyer gives the best fit to temperature profiles and describes the wind profiles equally as well as a relation suggested by Panofsky et al....

  16. Wright Valley Sediments as Potential Analogs for Martian Surface Processes

    Science.gov (United States)

    Englert, P. A. J.; Bishop, J. L.; Patel, S.; Gibson, E. K.; Koeberl, C.

    2015-12-01

    The Antarctic Dry Valleys (ADV) may provide a unique terrestrial analog for current Martian surface processes. The Wright Valley located in the ADV contains streams, lakes and ponds that host highly saline, sedimentary environments. This project highlights comparisons of formation and salt accumulation processes at the Don Juan Pond (DJP) and Don Quixote Pond (DQP). These are located in the north and south forks of the Wright Valley, which are unique areas where unusual terrestrial processes can be studied. DQP is located in the western part of the north fork about 100 m above mean seawater level. The DQP Valley walls are up to 2500 m high and the brine is seasonally frozen. DJP from the south fork is located ~9 km west of Lake Vanda. The basin floor is 117 m above mean seawater level with activity to the north and south rising above 1000 m. The DJP brine does not freeze and may be a model environment for Ca and Cl weathering and distribution on Mars. Our findings indicate that DJP and DQP have formed in similar climatic and geological environments, but likely experienced different formation conditions. Samples were collected from surface, soil pits and depth profiles during the 1979/1980, the 1990/1991 and the 2005/2006 field seasons. Elemental abundances and mineralogy were evaluated for several sets of sediments. The DJP basin shows low surface abundances of halite and relatively high abundances of sulfates throughout with gypsum or anhydrite dominating at different locations. The DQP area has high surface abundances of halite with gypsum present as the major sulfate. Two models have been proposed to explain these differences: DQP may have formed through a combination of shallow and some deep groundwater influx, while deep groundwater upwelling likely played the dominant role of salt formation at DJP. Our study seeks to understand the formation of DQP and DJP as unique terrestrial processes and as models for Ca, Cl, and S weathering and distribution on Mars.

  17. Spatial distribution of potential near surface moisture flux at Yucca Mountain

    International Nuclear Information System (INIS)

    Flint, A.L.; Flint, L.E.

    1994-01-01

    An estimate of the areal distribution of present-day surface liquid moisture flux at Yucca Mountain was made using field measured water contents and laboratory measured rock properties. Using available data for physical and hydrologic properties (porosity, saturated hydraulic conductivity, moisture retention functions) of the volcanic rocks, surface lithologic units that are hydrologically similar were delineated. Moisture retention and relative permeability functions were assigned to each surface unit based on the similarity of the mean porosity and saturated hydraulic conductivity of the surface unit to laboratory samples of the same lithology. The potential flux into the mountain was estimated for each surface hydrologic unit using the mean saturated hydraulic conductivity for each unit and assuming all matrix flow. Using measured moisture profiles for each of the surface units, estimates were made of the depth at which seasonal fluctuations diminish and steady state downward flux conditions are likely to exist. The hydrologic properties at that depth were used with the current relative saturation of the tuff, to estimate flux as the unsaturated hydraulic conductivity. This method assumes a unit gradient. The range in estimated flux was 0.02 mm/yr for the welded Tiva Canyon to 13.4 mm/yr for the nonwelded Paintbrush Tuff. The areally averaged flux was 1.4 mm/yr. The major zones of high flux occur to the north of the potential repository boundary where the nonwelded tuffs are exposed in the major drainages

  18. Spatial distribution of potential near surface moisture flux at Yucca Mountain

    International Nuclear Information System (INIS)

    Flint, A.L.; Flint, L.E.

    1994-01-01

    An estimate of the areal distribution of present-day surface liquid moisture flux at Yucca Mountain was made using field measured water contents and laboratory measured rock properties. Using available data for physical and hydrologic properties (porosity, saturated hydraulic conductivity moisture retention functions) of the volcanic rocks, surface lithologic units that are hydrologically similar were delineated. Moisture retention and relative permeability functions were assigned to each surface unit based on the similarity of the mean porosity and saturated hydraulic conductivity of the surface unit to laboratory samples of the same lithology. The potential flux into the mountain was estimated for each surface hydrologic unit using the mean saturated hydraulic conductivity for each unit and assuming all matrix flow. Using measured moisture profiles for each of the surface units, estimates were made of the depth at which seasonal fluctuations diminish and steady state downward flux conditions are likely to exist. The hydrologic properties at that depth were used with the current relative saturation of the tuff, to estimate flux as the unsaturated hydraulic conductivity. This method assumes a unit gradient. The range in estimated flux was 0.02 mm/yr for the welded Tiva Canyon to 13.4 mm/yr for the nonwelded Paintbrush Tuff. The areally averaged flux was 1.4 mm/yr. The major zones of high flux occur to the north of the potential repository boundary where the nonwelded tuffs are exposed in the major drainages

  19. In vitro studies on the cytotoxic potential of surface sealants.

    Science.gov (United States)

    Zingler, S; Matthei, B; Kohl, A; Saure, D; Ludwig, B; Diercke, K; Lux, C J; Erber, R

    2015-01-01

    The objective of this in vitro study was an initial screening of the cytotoxic potential of widely used smooth enamel surface sealants. A total of 20 products were allocated to four groups based on their chemical composition: (1) filled resin-based sealants, (2) unfilled resin-based sealants, (3) a resin-modified, glass ionomer-based sealant, and (4) silicone-based sealants. All materials were applied to human enamel slices both in accordance with manufacturers' instructions and in additional experiments applying 50% undercuring and 50% overcuring. An agar overlay assay was then used to test the specimens following ISO 10933. The cytotoxic potential of each material was interpreted based on a reaction index that summarized the decolorization and lysis scores obtained. The cytotoxic potential decreased as follows: unfilled resin-based sealants > filled resin-based sealants > resin-modified, glass ionomer-based sealant > silicone-based sealants. In 75% of the resin-based products, deliberate undercuring was associated with more extensive decolorization zones, leading to higher rates of cytotoxic potential in two of those products. Overcuring, by contrast, was associated with a tendency for smaller decolorization zones in 50% of the resin-based products. Surface sealants derived from resin monomers exhibited cytotoxic potential in the agar overlay assay. There is also evidence of a possible association with curing, as undercuring can increase the cytotoxic potential, whereas normal curing (as per manufacturers' instructions) or overcuring may help minimize such effects. More research into the biological implications of these materials is needed, especially with regard to their potential impact on the adjacent gingiva.

  20. Potential and electric field profiles for transmission line insulators

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, S.B.; Kumar, U. [Indian Inst. of Science, Bangalore (India). Dept. of Electrical Engineering, High Voltage Laboratory

    2008-07-01

    Overhead transmission lines are used to transmit bulk power at high voltages over very long distances. The objective of this study was to deduce accurate quantitative data on electrical stress distribution on 6 commonly used porcelain insulator strings. Both single disc and 15 disc strings corresponding to 220 kV line were considered. Both volume and surface electrical stresses along the porcelain-to-air and cement-to-air interfaces were deduced. The prevailing stress during laboratory pollution tests was also evaluated. A quantitative comparison of the stresses across commonly used insulators was also carried out. A numerical approach was used since the use of analytical methods for the required field solution was impractical because the geometry does not fit into any of the orthogonal curvilinear coordinates. In this study, the governing field was electrostatic under clean conditions and steady conduction under polluted conditions. Therefore the governing field equation was Laplacian, with complex permittivity for combined fields. 12 refs., 2 tabs., 13 figs.

  1. Nuclear momentum distribution and potential energy surface in hexagonal ice

    Science.gov (United States)

    Lin, Lin; Morrone, Joseph; Car, Roberto; Parrinello, Michele

    2011-03-01

    The proton momentum distribution in ice Ih has been recently measured by deep inelastic neutron scattering and calculated from open path integral Car-Parrinello simulation. Here we report a detailed investigation of the relation between momentum distribution and potential energy surface based on both experiment and simulation results. The potential experienced by the proton is largely harmonic and characterized by 3 principal frequencies, which can be associated to weighted averages of phonon frequencies via lattice dynamics calculations. This approach also allows us to examine the importance of quantum effects on the dynamics of the oxygen nuclei close to the melting temperature. Finally we quantify the anharmonicity that is present in the potential acting on the protons. This work is supported by NSF and by DOE.

  2. Potential of surface-eroding poly(ethylene carbonate) for drug delivery to macrophages

    DEFF Research Database (Denmark)

    Bohr, Adam; Water, Jorrit J; Wang, Yingya

    2016-01-01

    Films composed of poly(ethylene carbonate) (PEC), a biodegradable polymer, were compared with poly(lactide-co-glycolide) (PLGA) films loaded with and without the tuberculosis drug rifampicin to study the characteristics and performance of PEC as a potential carrier for controlled drug delivery...... surface erosion (by cholesterol esterase). Drug release studies performed with polymer films indicated a diffusion/erosion dependent delivery behavior for PLGA while an almost zero-order drug release profile was observed from PEC due to the controlled polymer degradation process. When exposed to polymer...... for controlled drug release and could provide superior performance to PLGA for some drug delivery applications including the treatment of macrophage infections....

  3. Profiling of antioxidant potential and phytoconstituents of Plantago coronopus

    Directory of Open Access Journals (Sweden)

    C. G. Pereira

    Full Text Available Abstract The halophyte species Plantago coronopus has several described ethnomedicinal uses, but few reported biological activities. This work carried out for the first time a comparative analysis of P. coronopus organs in terms of phenolic composition and antioxidant activity of organic and water extracts from roots, leaves and flowers. The leaves contents in selected nutrients, namely amino acids and minerals, are also described. Roots (ethyl acetate and methanol extracts had the highest radical scavenging activity (RSA towards 1,1-diphenyl-2-picrylhydrazyl (DPPH and 2,2’-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS radicals, while leaves (hexane extract had higher RSA on nitric oxide radical and iron chelating ability. High performance liquid chromatography (HPLC analysis identified eighteen phenolics from which salicylic acid and epicatechin are here firstly described in Plantago species. Leaves had mineral levels similar to those of most vegetables, proving to be a good source for elements like calcium, sodium, iron and magnesium, and also for several of the essential amino acids justifying it use as food. Our results, especially those regarding the phenolics composition, can explain the main traditional uses given to this plantain and, altogether, emphasize the potential of P. coronopus as a source of bioactive molecules particularly useful for the prevention of oxidative stress-related diseases.

  4. ACTRIS aerosol vertical profile data and observations: potentiality and first examples of integrated studies with models

    Science.gov (United States)

    Mona, Lucia; Benedetti, Angela; D'Amico, Giuseppe; Myhre, Cathrine Lund; Schulz, Michael; Wandinger, Ulla; Laj, Paolo; Pappalardo, Gelsomina

    2016-04-01

    The ACTRIS-2 project, funded by Horizon 2020, addresses the scope of integrating state-of-the-art European ground-based stations for long term observations of aerosols, clouds and short lived gases, capitalizing on the work of FP7-ACTRIS. It aims at achieving the construction of a user-oriented RI, unique in the EU-RI landscape for providing 4-D integrated high-quality data from near-surface to high altitude (vertical profiles and total-column) which are relevant to climate and air-quality research. ACTRIS-2 develops and implements, in a large network of stations in Europe and beyond, observational protocols that permit the harmonization of collected data and their dissemination. ACTRIS secures provision and dissemination of a unique set of data and data-products that would not otherwise be available with the same level of quality and standardization. This results from a 10-year plus effort in constructing a research infrastructure capable of responding to community needs and requirements, and has been engaged since the start of the FP5 EU commission program. ACTRIS ensures compliance with reporting requirements (timing, format, traceability) defined by the major global observing networks. EARLINET (European Aerosol research Lidar NETwork), the aerosol vertical profiling component of ACTRIS, is providing since May 2000 vertical profiles of aerosol extinction and backscatter over Europe. A new structure of the EARLINET database has been designed in a more user oriented approach reporting new data products which are more effective for specific uses of different communities. In particular, a new era is starting with the Copernicus program during which the aerosol vertical profiling capability will be fundamental for assimilation and validation purposes. The new data products have been designed thanks to a strong link with EARLINET data users, first of all modeling and satellite communities, established since the beginning of EARLINET and re-enforced within ACTRIS2

  5. Measuring surface flow velocity with smartphones: potential for citizen observatories

    Science.gov (United States)

    Weijs, Steven V.; Chen, Zichong; Brauchli, Tristan; Huwald, Hendrik

    2014-05-01

    Stream flow velocity is an important variable for discharge estimation and research on sediment dynamics. Given the influence of the latter on rating curves (stage-discharge relations), and the relative scarcity of direct streamflow measurements, surface velocity measurements can offer important information for, e.g., flood warning, hydropower, and hydrological science and engineering in general. With the growing amount of sensing and computing power in the hands of more outdoorsy individuals, and the advances in image processing techniques, there is now a tremendous potential to obtain hydrologically relevant data from motivated citizens. This is the main focus of the interdisciplinary "WeSenseIt" project, a citizen observatory of water. In this subproject, we investigate the feasibility of stream flow surface velocity measurements from movie clips taken by (smartphone-) cameras. First results from movie-clip derived velocity information will be shown and compared to reference measurements.

  6. Submicron Surface Vibration Profiling Using Doppler Self-Mixing Techniques

    Directory of Open Access Journals (Sweden)

    Tânia Pereira

    2014-01-01

    Full Text Available Doppler self-mixing laser probing techniques are often used for vibration measurement with very high accuracy. A novel optoelectronic probe solution is proposed, based on off-the-shelf components, with a direct reflection optical scheme for contactless characterization of the target’s movement. This probe was tested with two test bench apparatus that enhance its precision performance, with a linear actuator at low frequency (35 µm, 5–60 Hz, and its dynamics, with disc shaped transducers for small amplitude and high frequency (0.6 µm, 100–2500 Hz. The results, obtained from well-established signal processing methods for self-mixing Doppler signals, allowed the evaluation of vibration velocity and amplitudes with an average error of less than 10%. The impedance spectrum of piezoelectric (PZ disc target revealed a maximum of impedance (around 1 kHz for minimal Doppler shift. A bidimensional scan over the PZ disc surface allowed the categorization of the vibration mode (0, 1 and explained its deflection directions. The feasibility of a laser vibrometer based on self-mixing principles and supported by tailored electronics able to accurately measure submicron displacements was, thus, successfully demonstrated.

  7. Near-surface fault detection by migrating back-scattered surface waves with and without velocity profiles

    KAUST Repository

    Yu, Han

    2016-04-26

    We demonstrate that diffraction stack migration can be used to discover the distribution of near-surface faults. The methodology is based on the assumption that near-surface faults generate detectable back-scattered surface waves from impinging surface waves. We first isolate the back-scattered surface waves by muting or FK filtering, and then migrate them by diffraction migration using the surface wave velocity as the migration velocity. Instead of summing events along trial quasi-hyperbolas, surface wave migration sums events along trial quasi-linear trajectories that correspond to the moveout of back-scattered surface waves. We have also proposed a natural migration method that utilizes the intrinsic traveltime property of the direct and the back-scattered waves at faults. For the synthetic data sets and the land data collected in Aqaba, where surface wave velocity has unexpected perturbations, we migrate the back-scattered surface waves with both predicted velocity profiles and natural Green\\'s function without velocity information. Because the latter approach avoids the need for an accurate velocity model in event summation, both the prestack and stacked migration images show competitive quality. Results with both synthetic data and field records validate the feasibility of this method. We believe applying this method to global or passive seismic data can open new opportunities in unveiling tectonic features.

  8. Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfaces.

    Science.gov (United States)

    Heaps, Charles W; Mazziotti, David A

    2016-04-28

    Trajectory-based Gaussian basis sets have been tremendously successful in describing high-dimensional quantum molecular dynamics. In this paper, we introduce a pseudospectral Gaussian-based method that achieves accurate quantum dynamics using efficient, real-space sampling of the time-dependent basis set. As in other Gaussian basis methods, we begin with a basis set expansion using time-dependent Gaussian basis functions guided by classical mechanics. Unlike other Gaussian methods but characteristic of the pseudospectral and collocation methods, the basis set is tested with N Dirac delta functions, where N is the number of basis functions, rather than using the basis function as test functions. As a result, the integration for matrix elements is reduced to function evaluation. Pseudospectral Gaussian dynamics only requires O(N) potential energy calculations, in contrast to O(N(2)) evaluations in a variational calculation. The classical trajectories allow small basis sets to sample high-dimensional potentials. Applications are made to diatomic oscillations in a Morse potential and a generalized version of the Henon-Heiles potential in two, four, and six dimensions. Comparisons are drawn to full analytical evaluation of potential energy integrals (variational) and the bra-ket averaged Taylor (BAT) expansion, an O(N) approximation used in Gaussian-based dynamics. In all cases, the pseudospectral Gaussian method is competitive with full variational calculations that require a global, analytical, and integrable potential energy surface. Additionally, the BAT breaks down when quantum mechanical coherence is particularly strong (i.e., barrier reflection in the Morse oscillator). The ability to obtain variational accuracy using only the potential energy at discrete points makes the pseudospectral Gaussian method a promising avenue for on-the-fly dynamics, where electronic structure calculations become computationally significant.

  9. Changes of Surface Electric Potential of Bones Depending on Their Age

    OpenAIRE

    Freimanis, E; Dehtjars, J; Vendiņa, V

    2014-01-01

    The aim of this research was to determine how surface electric potential of bones changes with their age and how it correlates with mechanical properties of bones. Surface electric potential was measured in 6 cross-sectional zones of the tibia. Changes of bones surface electric potential with age were determined and correlations between surface electric potential and mechanical properties were derived.

  10. An Ab Initio Based Potential Energy Surface for Water

    Science.gov (United States)

    Partridge, Harry; Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

    1996-01-01

    We report a new determination of the water potential energy surface. A high quality ab initio potential energy surface (PES) and dipole moment function of water have been computed. This PES is empirically adjusted to improve the agreement between the computed line positions and those from the HITRAN 92 data base. The adjustment is small, nonetheless including an estimate of core (oxygen 1s) electron correlation greatly improves the agreement with experiment. Of the 27,245 assigned transitions in the HITRAN 92 data base for H2(O-16), the overall root mean square (rms) deviation between the computed and observed line positions is 0.125/cm. However the deviations do not correspond to a normal distribution: 69% of the lines have errors less than 0.05/cm. Overall, the agreement between the line intensities computed in the present work and those contained in the data base is quite good, however there are a significant number of line strengths which differ greatly.

  11. Forces on nuclei moving on autoionizing molecular potential energy surfaces.

    Science.gov (United States)

    Moiseyev, Nimrod

    2017-01-14

    Autoionization of molecular systems occurs in diatomic molecules and in small biochemical systems. Quantum chemistry packages enable calculation of complex potential energy surfaces (CPESs). The imaginary part of the CPES is associated with the autoionization decay rate, which is a function of the molecular structure. Molecular dynamics simulations, within the framework of the Born-Oppenheimer approximation, require the definition of a force field. The ability to calculate the forces on the nuclei in bio-systems when autoionization takes place seems to rely on an understanding of radiative damages in RNA and DNA arising from the release of slow moving electrons which have long de Broglie wavelengths. This work addresses calculation of the real forces on the nuclei moving on the CPES. By using the transformation of the time-dependent Schrödinger equation, previously used by Madelung, we proved that the classical forces on nuclei moving on the CPES correlated with the gradient of the real part of the CPES. It was proved that the force on the nuclei of the metastable molecules is time independent although the probability to detect metastable molecules exponentially decays. The classical force is obtained from the transformed Schrödinger equation when ℏ=0 and the Schrödinger equation is reduced to the classical (Newtonian) equations of motion. The forces on the nuclei regardless on what potential energy surface they move (parent CPES or product real PESs) vary in time due to the autoionization process.

  12. Potential Biomarkers Found by Protein Profiling May Provide Insight for the Macrovascular Pathogenesis of Diabetes Mellitus

    Directory of Open Access Journals (Sweden)

    William C. S. Cho

    2006-01-01

    Full Text Available Diabetes mellitus (DM is an alarming threat to health of mankind, yet its pathogenesis is unclear. The purpose of this study was to find potential biomarkers to serve as indicators for the pathogenesis of DM in a time course manner. Based on our previous findings that oxidative stress occurred at week 8, aorta lysate and sera of 102 streptozotocin (STZ-induced diabetic and 85 control male Sprague-Dawley rats were obtained at the 4th, 8th and 12th week after STZ injection. The protein profiles were studied employing surface-enhanced laser desorption/ionization time-of-flight mass spectrometry technology in attomole sensitivity range. In the aorta, a multiple biomarker panel was discovered at the 4th week. At the 8th week, 4 biomarkers were found, while at the 12th week, 3 biomarkers were identified. In the sera, a triplet of 3 peaks and 2 biomarkers were all discovered to have 100% classification accuracy rate to differentiate the DM and control groups at all time intervals. Besides, 2 biomarkers were also found to have high classification value at week 12. Comparing the aorta and sera from DM and non-DM rats, a bundle of potential biomarkers with significant changes in peak intensities and high classification values were found. Two of the serum biomarkers matched with islet amyloid polypeptide and resistin in the SWISS-PROT knowledgebase. Validation has been conducted using immunoassay kits. These potential biomarkers may provide valuable insight on the pathogenesis of DM and macrovascular complications.

  13. Surface-wave potential for triggering tectonic (nonvolcanic) tremor

    Science.gov (United States)

    Hill, D.P.

    2010-01-01

    Source processes commonly posed to explain instances of remote dynamic triggering of tectonic (nonvolcanic) tremor by surface waves include frictional failure and various modes of fluid activation. The relative potential for Love- and Rayleigh-wave dynamic stresses to trigger tectonic tremor through failure on critically stressed thrust and vertical strike-slip faults under the Coulomb-Griffith failure criteria as a function of incidence angle is anticorrelated over the 15- to 30-km-depth range that hosts tectonic tremor. Love-wave potential is high for strike-parallel incidence on low-angle reverse faults and null for strike-normal incidence; the opposite holds for Rayleigh waves. Love-wave potential is high for both strike-parallel and strike-normal incidence on vertical, strike-slip faults and minimal for ~45?? incidence angles. The opposite holds for Rayleigh waves. This pattern is consistent with documented instances of tremor triggered by Love waves incident on the Cascadia mega-thrust and the San Andreas fault (SAF) in central California resulting from shear failure on weak faults (apparent friction, ????? 0.2). However, documented instances of tremor triggered by surface waves with strike-parallel incidence along the Nankai megathrust beneath Shikoku, Japan, is associated primarily with Rayleigh waves. This is consistent with the tremor bursts resulting from mixed-mode failure (crack opening and shear failure) facilitated by near-lithostatic ambient pore pressure, low differential stress, with a moderate friction coefficient (?? ~ 0.6) on the Nankai subduction interface. Rayleigh-wave dilatational stress is relatively weak at tectonic tremor source depths and seems unlikely to contribute significantly to the triggering process, except perhaps for an indirect role on the SAF in sustaining tremor into the Rayleigh-wave coda that was initially triggered by Love waves.

  14. The GALEX/S4G Surface Brightness and Color Profiles Catalog. I. Surface Photometry and Color Gradients of Galaxies

    Science.gov (United States)

    Bouquin, Alexandre Y. K.; Gil de Paz, Armando; Muñoz-Mateos, Juan Carlos; Boissier, Samuel; Sheth, Kartik; Zaritsky, Dennis; Peletier, Reynier F.; Knapen, Johan H.; Gallego, Jesús

    2018-02-01

    We present new spatially resolved surface photometry in the far-ultraviolet (FUV) and near-ultraviolet (NUV) from images obtained by the Galaxy Evolution Explorer (GALEX) and IRAC1 (3.6 μm) photometry from the Spitzer Survey of Stellar Structure in Galaxies (S4G). We analyze the radial surface brightness profiles μ FUV, μ NUV, and μ [3.6], as well as the radial profiles of (FUV ‑ NUV), (NUV ‑ [3.6]), and (FUV ‑ [3.6]) colors in 1931 nearby galaxies (z measured scale length and central surface brightness values yield distributions of spin and circular velocity within a factor of two of those obtained via direct kinematic measurements. We find that at a surface brightness fainter than μ [3.6] = 20.89 mag arcsec‑2, or below 3 × 108 M ⊙ kpc‑2 in stellar mass surface density, the average specific star formation rate (sSFR) for star-forming and quiescent galaxies remains relatively flat with radius. However, a large fraction of GALEX Green Valley galaxies show a radial decrease in sSFR. This behavior suggests that an outside-in damping mechanism, possibly related to environmental effects, could be testimony of an early evolution of galaxies from the blue sequence of star-forming galaxies toward the red sequence of quiescent galaxies.

  15. CO dimer: new potential energy surface and rovibrational calculations.

    Science.gov (United States)

    Dawes, Richard; Wang, Xiao-Gang; Carrington, Tucker

    2013-08-15

    The spectrum of CO dimer was investigated by solving the rovibrational Schrödinger equation on a new potential energy surface constructed from coupled-cluster ab initio points. The Schrödinger equation was solved with a Lanczos algorithm. Several 4D (rigid monomer) global ab initio potential energy surfaces (PESs) were made using a previously reported interpolating moving least-squares (IMLS) fitting procedure specialized to describe the interaction of two linear fragments. The potential has two nonpolar minima giving rise to a complicated set of energy level stacks, which are very sensitive to the shapes and relative depths of the two wells. Although the CO dimer has defied previous attempts at an accurate purely ab initio description our best surface yields results in good agreement with experiment. Root-mean-square (rms) fitting errors of less than 0.1 cm(-1) were obtained for each of the fits using 2226 ab initio data at different levels. This allowed direct assessment of the quality of various levels of ab initio theory for prediction of spectra. Our tests indicate that standard CCSD(T) is slow to converge the interaction energy even when sextuple zeta bases as large as ACV6Z are used. The explicitly correlated CCSD(T)-F12b method was found to recover significantly more correlation energy (from singles and doubles) at the CBS limit. Correlation of the core-electrons was found to be important for this system. The best PES was obtained by extrapolation of calculations at the CCSD(T)(AE)-F12b/CVnZ-F12 (n = 3,4) levels. The calculated energy levels were compared to 105 J ≤ 10 levels from experiment. The rms error for 68 levels with J ≤ 6 is only 0.29 cm(-1). The calculated energy levels were assigned stack labels using several tools. New stacks were found. One of them, stack y1, has an energy lower than many previously known stacks and may be observable.

  16. Geometrical profile of material surface ablated with highpower, short-pulse lasers in ambient gas media

    Science.gov (United States)

    Vatsya, S. R.; Nikumb, S. K.

    2007-04-01

    Finer and cleaner features are expected in micro-machining with high power, ultrashort pulse lasers as the melt and evaporation phases are considerably reduced. However, a high-intensity optical beam propagating through a gaseous medium can cause its breakdown generating plasma, which is enhanced further by the self focusing effect of the medium. Photon-plasma scattering compensates somewhat for the self-focusing, but it also distorts the beam profile with consequent impact on the fabricated surface. Plasma also continues to supply heat beyond the pulse duration, which may cause melting and thus distort the features further. In the present article, we show that suitable parameters can be determined to reduce the distortion to the beam profile and balance self-focusing and plasma defocusing resulting in plasma filamentation. Well-shaped beam and plasma filaments, both have favourable impact on the fabricated features. The calculated surface features are compared with the experimentally machined crater profiles with good agreement.

  17. Near-Surface Residual Stress-Profiling with High Frequency Eddy Current Conductivity Measurement

    Science.gov (United States)

    Hillmann, S.; Heuer, H.; Baron, H.-U.; Bamberg, J.; Yashan, A.; Meyendorf, N.

    2009-03-01

    The lifetime of aero engine components can be extended by applying an additional strain to the material. Typical aero engine-alloys like Nickel-Base superalloys or Titanium alloys can be surface-treated by use of shot peening to induce the compressive strain near the surface. However, in order to use the additional life for critical aero engine components, a quantitative determination of strain gradients near the surface has to be carried out periodically. We propose to measure the depth-profile of residual stresses non-destructively by use of high frequency eddy current techniques. This paper presents results obtained with an experimental set-up based on a high precision impedance analyzer. Test samples prepared from IN718 by shot peening of different intensities can be easily distinguished. By sweeping the frequency from 100 kHz up to 100 MHz a depth profile for the electrical conductivity from 50 μm to 500 μm can be obtained. The measured conductivity profile is a resultant from residual stresses, cold work, surface roughness and the texture of the material. In addition, first results for strain profiling obtained with industry applicable NDE instrument will be presented.

  18. Moving gantry method for electron beam dose profile measurement at extended source-to-surface distances.

    Science.gov (United States)

    Fekete, Gábor; Fodor, Emese; Pesznyák, Csilla

    2015-03-08

    A novel method has been put forward for very large electron beam profile measurement. With this method, absorbed dose profiles can be measured at any depth in a solid phantom for total skin electron therapy. Electron beam dose profiles were collected with two different methods. Profile measurements were performed at 0.2 and 1.2 cm depths with a parallel plate and a thimble chamber, respectively. 108cm × 108 cm and 45 cm × 45 cm projected size electron beams were scanned by vertically moving phantom and detector at 300 cm source-to-surface distance with 90° and 270° gantry angles. The profiles collected this way were used as reference. Afterwards, the phantom was fixed on the central axis and the gantry was rotated with certain angular steps. After applying correction for the different source-to-detector distances and incidence of angle, the profiles measured in the two different setups were compared. Correction formalism has been developed. The agreement between the cross profiles taken at the depth of maximum dose with the 'classical' scanning and with the new moving gantry method was better than 0.5 % in the measuring range from zero to 71.9 cm. Inverse square and attenuation corrections had to be applied. The profiles measured with the parallel plate chamber agree better than 1%, except for the penumbra region, where the maximum difference is 1.5%. With the moving gantry method, very large electron field profiles can be measured at any depth in a solid phantom with high accuracy and reproducibility and with much less time per step. No special instrumentation is needed. The method can be used for commissioning of very large electron beams for computer-assisted treatment planning, for designing beam modifiers to improve dose uniformity, and for verification of computed dose profiles.

  19. Stabilized quasi-Newton optimization of noisy potential energy surfaces

    International Nuclear Information System (INIS)

    Schaefer, Bastian; Goedecker, Stefan; Alireza Ghasemi, S.; Roy, Shantanu

    2015-01-01

    Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods

  20. Exploring Multiple Potential Energy Surfaces: Photochemistry of Small Carbonyl Compounds

    Directory of Open Access Journals (Sweden)

    Satoshi Maeda

    2012-01-01

    Full Text Available In theoretical studies of chemical reactions involving multiple potential energy surfaces (PESs such as photochemical reactions, seams of intersection among the PESs often complicate the analysis. In this paper, we review our recipe for exploring multiple PESs by using an automated reaction path search method which has previously been applied to single PESs. Although any such methods for single PESs can be employed in the recipe, the global reaction route mapping (GRRM method was employed in this study. By combining GRRM with the proposed recipe, all critical regions, that is, transition states, conical intersections, intersection seams, and local minima, associated with multiple PESs, can be explored automatically. As illustrative examples, applications to photochemistry of formaldehyde and acetone are described. In these examples as well as in recent applications to other systems, the present approach led to discovery of many unexpected nonadiabatic pathways, by which some complicated experimental data have been explained very clearly.

  1. Improved DFT Potential Energy Surfaces via Improved Densities.

    Science.gov (United States)

    Kim, Min-Cheol; Park, Hansol; Son, Suyeon; Sim, Eunji; Burke, Kieron

    2015-10-01

    Density-corrected DFT is a method that cures several failures of self-consistent semilocal DFT calculations by using a more accurate density instead. A novel procedure employs the Hartree-Fock density to bonds that are more severely stretched than ever before. This substantially increases the range of accurate potential energy surfaces obtainable from semilocal DFT for many heteronuclear molecules. We show that this works for both neutral and charged molecules. We explain why and explore more difficult cases, for example, CH(+), where density-corrected DFT results are even better than sophisticated methods like CCSD. We give a simple criterion for when DC-DFT should be more accurate than self-consistent DFT that can be applied for most cases.

  2. Near Surface Seismic Reflection Imaging: Great Potential Under Critical Eye

    Science.gov (United States)

    Miller, R. D.; Peterie, S.; Judy, B. E.

    2014-12-01

    Seismic-reflection imaging has long been a mainstay in the oil and gas exploration community with mind boggling advancements in just the last decade, but its application to engineering, environmental, and groundwater problems has not seen the same level of utilization. A great deal of the problem lies in the many assumptions that are valid for deep exploration that are violated in the very complex near surface. Large channel systems with acquisition geometries conducive for both deep and shallow targets are many times assumed to be capable of extending the imaging depth window. In reality, constraints of the source and sensor/recording systems must be considered, where large powerful sources are needed to image exploration depths while low-energy, high-frequency sources are required for the shallow and thin targets in the near surface. Attempts to make one size fit all will result in artifacts that result in bogus images and characterizations in the shallow subsurface.Narrow optimum offsets, highly attenuative materials, extreme velocity variability, wavefield interference, and low signal-to-noise ratios provide an ideal breeding ground for the generation of artifacts on near-surface seismic-reflection data. With the cost of shallow reflection data being so high relative to other geophysical methods and invasive sampling, sometimes a single failure can hinder the growth in the use of the method. The method is extremely powerful and has the potential to provide vast quantities of information critical to understand the distributed hydrogeological and biogeochemical processes that elude borehole investigations. It is imperative that data be acquired in its rawest possible form and be processed with an eye to each operation. Cost savings sometimes result in one-size-fits-all acquisition and automated processing flows. Attention to detail and following signal from origination to characterization is essential.

  3. Multilayer Coating of Tetrandrine-loaded PLGA nanoparticles: Effect of surface charges on cellular uptake rate and drug release profile.

    Science.gov (United States)

    Meng, Rui; Li, Ke; Chen, Zhe; Shi, Chen

    2016-02-01

    The effect of surface charges on the cellular uptake rate and drug release profile of tetrandrine-loaded poly(lactic-co-glycolic acid) (PLGA) nanoparticles (TPNs) was studied. Stabilizer-free nanoprecipitation method was used in this study for the synthesis of TPNs. A typical layer-by-layer approach was applied for multi-coating particles' surface with use of poly(styrene sulfonate) sodium salt (PSS) as anionic layer and poly(allylamine hydrochloride) (PAH) as cationic layer. The modified TPNs were characterized by different physicochemical techniques such as Zeta sizer, scanning electron microscopy and transmission electron microscopy. The drug loading efficiency, release profile and cellular uptake rate were evaluated by high performance liquid chromatography and confocal laser scanning microscopy, respectively. The resultant PSS/PAH/PSS/PAH/TPNs (4 layers) exhibited spherical-shaped morphology with the average size of 160.3±5.165 nm and zeta potential of-57.8 mV. The encapsulation efficiency and drug loading efficiency were 57.88% and 1.73%, respectively. Multi-layer coating of polymeric materials with different charges on particles' surface could dramatically influence the drug release profile of TPNs (4 layers vs. 3 layers). In addition, variable layers of surface coating could also greatly affect the cellular uptake rate of TPNs in A549 cells within 8 h. Overall, by coating particles' surface with those different charged polymers, precise control of drug release as well as cellular uptake rate can be achieved simultaneously. Thus, this approach provides a new strategy for controllable drug delivery.

  4. Whole genome expression profiling using DNA microarray for determining biocompatibility of polymeric surfaces

    DEFF Research Database (Denmark)

    Stangegaard, Michael; Wang, Zhenyu; Kutter, Jörg Peter

    2006-01-01

    conventional methods to determine biocompatibility such as cellular growth rate, morphology and the hydrophobicity of the surfaces. HeLa cells grown on polymethylmethacrylate (PMMA) or a SU-8 surface treated with HNO3-ceric ammonium nitrate (HNO3-CAN) and ethanolamine showed no differences in growth rate......, morphology or gene expression profiles as compared to HeLa cells grown in cell culture flasks. Cells grown on SU-8 treated with only HNO3-CAN showed almost the same growth rate (36 ¡ 1 h) and similar morphology as cells grown in cell culture flasks (32 ¡ 1 h), indicating good biocompatibility. However, more...... than 200 genes showed different expression levels in cells grown on SU-8 treated with HNO3-CAN compared to cells grown in cell culture flasks. This shows that gene expression profiling is a simple and precise method for determining differences in cells grown on different surfaces that are otherwise...

  5. Quantitative depth profiling of near surface semiconductor structures using ultra low energy SIMS analysis

    International Nuclear Information System (INIS)

    Elliner, D.I.

    1999-09-01

    The continual reduction in size of semiconductor structures and depths of junctions is putting a greater strain on characterization techniques. Accurate device and process modelling requires quantified electrical and dopant profiles from the topmost few nanometres. Secondary ion mass spectrometry (SIMS) is an analytical technique commonly used in the semiconductor industry to measure concentration depth profiles. To allow the quantification of the features that are closer to the surface, lower energy ions are employed, which also improves the available depth resolution. The development of the floating ion gun (FLIG) has made it possible to use sub keV beam energies on a routine basis, allowing quantified dopant profiles to be obtained within the first few nanometres of the surface. This thesis demonstrates that, when profiling with oxygen ion beams, greatest certainty in the retained dose is achieved at normal incidence, and when analysing boron accurate profile shapes are only obtained when the primary beam energy is less than half that of the implant. It was shown that it is now possible to profile, though with slower erosion rates and a limited dynamic range, with 100 eV oxygen (0 2 + ) ion beams. Profile features that had developed during rapid thermal annealing, that could only be observed when ultra low energy ion beams were used, were investigated using various analytical techniques. Explanations of the apparently inactive dopant were proposed, and included suggestions for cluster molecules. The oxide thickness of fully formed altered layers has also been investigated. The results indicate that a fundamental change in the mechanism of oxide formation occurs, and interfaces that are sharper than those grown by thermal oxidation can be produced using sub-keV ion beams. (author)

  6. Gene co-expression networks and profiles reveal potential biomarkers of boar taint in pigs

    DEFF Research Database (Denmark)

    Drag, Markus; Skinkyté-Juskiené, R.; Do, Duy Ngoc

    potential BT biomarkers for optimized breeding. Male pigs (n=48) with low, medium and high genetic merit of BT were selected and tissues from liver and testis were subjected to transcriptomic profiling by RNA-Seq. The reads were mapped to the Sus scrofa reference genome (Ensembl, ver. 79) which resulted...

  7. The psychological coping, learning potential and career preferences profiles of operational force military candidates

    CSIR Research Space (South Africa)

    De Beer, M

    2017-01-01

    Full Text Available The aim of this study was to profile the psychological coping, learning potential and career-related interests of 251 candidates for operational force military selection for the South African National Defence Force (SANDF) – 26 of whom were...

  8. Determining the near-surface current profile from measurements of the wave dispersion relation

    Science.gov (United States)

    Smeltzer, Benjamin; Maxwell, Peter; Aesøy, Eirik; Ellingsen, Simen

    2017-11-01

    The current-induced Doppler shifts of waves can yield information about the background mean flow, providing an attractive method of inferring the current profile in the upper layer of the ocean. We present measurements of waves propagating on shear currents in a laboratory water channel, as well as theoretical investigations of inversion techniques for determining the vertical current structure. Spatial and temporal measurements of the free surface profile obtained using a synthetic Schlieren method are analyzed to determine the wave dispersion relation and Doppler shifts as a function of wavelength. The vertical current profile can then be inferred from the Doppler shifts using an inversion algorithm. Most existing algorithms rely on a priori assumptions of the shape of the current profile, and developing a method that uses less stringent assumptions is a focus of this study, allowing for measurement of more general current profiles. The accuracy of current inversion algorithms are evaluated by comparison to measurements of the mean flow profile from particle image velocimetry (PIV), and a discussion of the sensitivity to errors in the Doppler shifts is presented.

  9. Delta self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Olsen, Thomas; Engelund, Mads

    2008-01-01

    is a density-functional method closely resembling standard density-functional theory (DFT), the only difference being that in Delta SCF one or more electrons are placed in higher lying Kohn-Sham orbitals instead of placing all electrons in the lowest possible orbitals as one does when calculating the ground......-photoemission spectroscopy measurements. This comparison shows that the modified Delta SCF method gives results in close agreement with experiment, significantly closer than the comparable methods. For N2 adsorbed on ruthenium (0001) we map out a two-dimensional part of the potential energy surfaces in the ground state...

  10. Homogenization mechanism of the residual surface potential of insulating specimens under electron beam irradiation

    International Nuclear Information System (INIS)

    Li Jingjing; Zhang Haibo; Feng Renjian

    2007-01-01

    A homogenized surface potential is desirable for the observation of a pre-irradiated insulating specimen using a scanning electron microscope because the residual surface potential may affect the imaging properties of the specimen. To homogenize the residual surface potential, the specimen should be subjected to the irradiation of an electron beam with the total electron yield greater than one. The expression of the equilibrium potential is derived based on the charge balance condition in the equilibrium state and the potential value is found to increase mainly with the secondary electron (SE) yield and the most probable emission energy of SEs. Further numerical calculations of SE trajectories show that affected by different surface potentials, SEs leave or return to the specimen surface to change the net charge flux into the specimen. This thereby increases the surface potential below the equilibrium potential and decreases that above the equilibrium potential, homogenizing the surface potential

  11. Mapping beneath the seafloor: AUV sub-bottom profilers, sediment thickness and resource potential

    Science.gov (United States)

    Yeo, I. A.; Vardy, M. E.; Holwell, D.; North, L.; Murton, B. J.

    2017-12-01

    Most AUV seafloor exploration focuses primarily on collecting high-resolution bathymetric and backscatter data in order to identify and map features of interest. Sub-bottom profiler data provides an essential third dimension that can illuminate not only the thickness of overlying sediment packets, but also the scale and tectonic setting of surface features. In this study we present results of high-resolution sub-bottom profiler surveys of Tropic Seamount, a 3000m tall, 40km wide, flat-topped gyot located 400km south of the Canary Islands. We show how the application of AUV derived sub-bottom profiler data can be used to assess the thickness and extent of ferromanganese crusts covering the summit and underlying thin pelagic sediment cover. Bespoke chirp signals at two altitudes were used to increase the likelihood of resolving thin (tens of cm) layers of crust. Drill cores were obtained from an ROV and used to constrain and calibrate the profiler data. The cores show variable crustal thicknesses of zero to 14 cm of FeMn crustal cover over a partially phosphoritised, vuggy, often poorly lithified limestone basement. Initial measurements of sound velocities suggest differences between the limestone basement and the crust of only a few hundred meters per second. Sub-cores, drilled from large samples collected during the cruise were analysed in the NOC Acoustic Pulse Tube and with X-Ray Computer Tomography to better understand how variations in lithology, crustal thickness, surface texture and internal structure affect the returning geoacoustic signal. We discuss the pros and cons of different surveying patterns, altitudes and chirps, the relative usefulness of sub-bottom profiler data in different environments, and the value added by sub-bottom profiler surveying as opposed to bathymetric surveying alone.

  12. A thermodynamic perturbation theory for the surface tension and ion density profile of a liquid metal

    International Nuclear Information System (INIS)

    Evans, R.; Kumaravadivel, R.

    1976-01-01

    A simple scheme for determining the ion density profile and the surface tension of a liquid metal is described. Assuming that the interaction between metallic pseudo-ions is of the form introduced by Evans, an approximate expression for the excess free energy of the system is derived using the thermodynamic perturbation theory of Weeks, Chandler and Anderson. This excess free energy is then minimized with respect to a parameter which specifies the ion density profile, and the surface tension is given directly. From a consideration of the dependence of the interionic forces on the electron density it is predicted that the ions should take up a very steep density profile at the liquid metal surface. This behaviour is contrasted with that to be expected for rare-gas fluids in which the interatomic forces are density-independent. The values of the surface tension calculated for liquid Na, K and Al from a simplified version of the theory are in reasonable agreement with experiment. (author)

  13. An Accurate Potential Energy Surface for H2O

    Science.gov (United States)

    Schwenke, David W.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    We have carried out extensive high quality ab initio electronic structure calculations of the ground state potential energy surface (PES) and dipole moment function (DMF) for H2O. A small adjustment is made to the PES to improve the agreement of line positions from theory and experiment. The theoretical line positions are obtained from variational ro-vibrational calculations using the exact kinetic energy operator. For the lines being fitted, the root-mean-square error was reduced from 6.9 to 0.08 /cm. We were then able to match 30,092 of the 30,117 lines from the HITRAN 96 data base to theoretical lines, and 80% of the line positions differed less than 0.1 /cm. About 3% of the line positions in the experimental data base appear to be incorrect. Theory predicts the existence of many additional weak lines with intensities above the cutoff used in the data base. To obtain results of similar accuracy for HDO, a mass dependent correction to the PH is introduced and is parameterized by simultaneously fitting line positions for HDO and D2O. The mass dependent PH has good predictive value for T2O and HTO. Nonadiabatic effects are not explicitly included. Line strengths for vibrational bands summed over rotational levels usually agree well between theory and experiment, but individual line strengths can differ greatly. A high temperature line list containing about 380 million lines has been generated using the present PES and DMF

  14. The effect of surface-bulk potential difference on the kinetics of intercalation in core-shell active cathode particles

    Science.gov (United States)

    Kazemiabnavi, Saeed; Malik, Rahul; Orvananos, Bernardo; Abdellahi, Aziz; Ceder, Gerbrand; Thornton, Katsuyo

    2018-04-01

    Surface modification of active cathode particles is commonly observed in battery research as either a surface phase evolving during the cycling process, or intentionally engineered to improve capacity retention, rate capability, and/or thermal stability of the cathode material. Here, a continuum-scale model is developed to simulate the galvanostatic charge/discharge of a cathode particle with core-shell heterostructure. The particle is assumed to be comprised of a core material encapsulated by a thin layer of a second phase that has a different open-circuit voltage. The effect of the potential difference between the surface and bulk phases (Ω) on the kinetics of lithium intercalation and the galvanostatic charge/discharge profiles is studied at different values of Ω, C-rates, and exchange current densities. The difference between the Li chemical potential in the surface and bulk phases of the cathode particle results in a concentration difference between these two phases. This leads to a charge/discharge asymmetry in the galvanostatic voltage profiles, causing a decrease in the accessible capacity of the particle. These effects are more significant at higher magnitudes of surface-bulk potential difference. The proposed model provides detailed insight into the kinetics and voltage behavior of the intercalation/de-intercalation processes in core-shell heterostructure cathode particles.

  15. Potential Energy Surface of NO on Pt(997: Adsorbed States and Surface Diffusion

    Directory of Open Access Journals (Sweden)

    N. Tsukahara

    2012-01-01

    Full Text Available The potential energy surface (PES of NO on Pt(997 has been elucidated: the adsorption states and diffusion processes of NO on Pt(997 at low coverage were investigated by using infrared reflection absorption spectroscopy (IRAS and scanning tunneling microscopy (STM. When NO molecules adsorb on a surface at a low temperature (11 K, each molecule transiently migrates on the surface from the first impact point to a possible adsorption site. We found that there are four stable adsorption sites for NO on Pt(997: a bridge site of the upper step, an fcc- (or hcp- hollow site of the terrace, an on-top site of the terrace, and an fcc-hollow site of the lower step. At higher temperatures above 45 K, NO molecules start to migrate thermally to more stable adsorption sites on a terrace, and they are finally trapped at the bridge sites of the step, which are the most stable among the four sites.

  16. Rapid Identification of Potential Drugs for Diabetic Nephropathy Using Whole-Genome Expression Profiles of Glomeruli

    Directory of Open Access Journals (Sweden)

    Jingsong Shi

    2016-01-01

    Full Text Available Objective. To investigate potential drugs for diabetic nephropathy (DN using whole-genome expression profiles and the Connectivity Map (CMAP. Methodology. Eighteen Chinese Han DN patients and six normal controls were included in this study. Whole-genome expression profiles of microdissected glomeruli were measured using the Affymetrix human U133 plus 2.0 chip. Differentially expressed genes (DEGs between late stage and early stage DN samples and the CMAP database were used to identify potential drugs for DN using bioinformatics methods. Results. (1 A total of 1065 DEGs (FDR 1.5 were found in late stage DN patients compared with early stage DN patients. (2 Piperlongumine, 15d-PGJ2 (15-delta prostaglandin J2, vorinostat, and trichostatin A were predicted to be the most promising potential drugs for DN, acting as NF-κB inhibitors, histone deacetylase inhibitors (HDACIs, PI3K pathway inhibitors, or PPARγ agonists, respectively. Conclusion. Using whole-genome expression profiles and the CMAP database, we rapidly predicted potential DN drugs, and therapeutic potential was confirmed by previously published studies. Animal experiments and clinical trials are needed to confirm both the safety and efficacy of these drugs in the treatment of DN.

  17. The role of surface chemistry in the cytotoxicity profile of graphene.

    Science.gov (United States)

    Majeed, Waqar; Bourdo, Shawn; Petibone, Dayton M; Saini, Viney; Vang, Kieng Bao; Nima, Zeid A; Alghazali, Karrer M; Darrigues, Emilie; Ghosh, Anindya; Watanabe, Fumiya; Casciano, Daniel; Ali, Syed F; Biris, Alexandru S

    2017-04-01

    Graphene and its derivative, because of their unique physical, electrical and chemical properties, are an important class of nanomaterials being proposed as foundational materials in nanomedicine as well as for a variety of industrial applications. A major limitation for graphene, when used in biomedical applications, is its poor solubility due to its rather hydrophobic nature. Therefore, chemical functionalities are commonly introduced to alter both its surface chemistry and biochemical activity. Here, we show that surface chemistry plays a major role in the toxicological profile of the graphene structures. To demonstrate this, we chemically increased the oxidation level of the pristine graphene and compared the corresponding toxicological effects along with those for the graphene oxide. X-ray photoelectron spectroscopy revealed that pristine graphene had the lowest amount of surface oxygen, while graphene oxide had the highest at 2.5% and 31%, respectively. Low and high oxygen functionalized graphene samples were found to have 6.6% and 24% surface oxygen, respectively. Our results showed a dose-dependent trend in the cytotoxicity profile, where pristine graphene was the most cytotoxic, with decreasing toxicity observed with increasing oxygen content. Increased surface oxygen also played a role in nanomaterial dispersion in water or cell culture medium over longer periods. It is likely that higher dispersity might result in graphene entering into cells as individual flakes ~1 nm thick rather than as more cytotoxic aggregates. In conclusion, changes in graphene's surface chemistry resulted in altered solubility and toxicity, suggesting that a generalized toxicity profile would be rather misleading. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  18. Mathematical description of tooth flank surface of globoidal worm gear with straight axial tooth profile

    Science.gov (United States)

    Połowniak, Piotr; Sobolak, Mariusz

    2017-12-01

    In this article, a mathematical description of tooth flank surface of the globoidal worm and worm wheel generated by the hourglass worm hob with straight tooth axial profile is presented. The kinematic system of globoidal worm gear is shown. The equation of globoid helix and tooth axial profile of worm is derived to determine worm tooth surface. Based on the equation of meshing the contact lines are obtained. The mathematical description of globoidal worm wheel tooth flank is performed on the basis of contact lines and generating the tooth side by the extreme cutting edge of worm hob. The presented mathematical model of tooth flank of TA worm and worm wheel can be used e.g. to analyse the contact pattern of the gear.

  19. Surface plasmon resonance is an analytically sensitive method for antigen profiling of extracellular vesicles

    NARCIS (Netherlands)

    Gool, Elmar L.; Stojanovic, Ivan; Schasfoort, Richardus B.M.; Sturk, Auguste; Van Leeuwen, Ton G.; Nieuwland, Rienk; Terstappen, Leon W.M.M.; Coumans, Frank A.W.

    2017-01-01

    BACKGROUND: Identification, enumeration, and characterization of extracellular vesicles (EVs) are hampered by the small size of EVs, a low refractive index, and low numbers of antigens on their surface. METHODS: We investigated the potential of a 48- multiplex surface plasmon resonance imaging

  20. Surface Plasmon Resonance is an Analytically Sensitive Method for Antigen Profiling of Extracellular Vesicles

    NARCIS (Netherlands)

    Gool, Elmar L.; Stojanovic, Ivan; Schasfoort, Richard B. M.; Sturk, Auguste; van Leeuwen, Ton G.; Nieuwland, Rienk; Terstappen, Leon W. M. M.; Coumans, Frank A. W.

    2017-01-01

    Identification, enumeration, and characterization of extracellular vesicles (EVs) are hampered by the small size of EVs, a low refractive index, and low numbers of antigens on their surface. We investigated the potential of a 48-multiplex surface plasmon resonance imaging (SPRi) system to perform EV

  1. Design of measurement system of 3D surface profile based on chromatic confocal technology

    Science.gov (United States)

    Wang, An-su; Xie, Bin; Liu, Zi-wei

    2018-01-01

    Chromatic confocal 3D profilometer has widely used in science investigation and industry fields recently for its high precision, great measuring range and numerical surface characteristic. It can provide exact and omnidirectional solution for manufacture and research by 3D non-contact surface analysis technique. The article analyzes the principle of surface measurement with chromatic confocal technology, and provides the designing indicators and requirements of the confocal system. As the key component, the dispersive objective used to achieve longitudinal focus vibration with wavelength was designed. The objective disperses the focus of wavelength between 400 700 nm to 15 mm longitudinal range. With selected spectrometer, the resolution of chromatic confocal 3D profilometer is no more than 5 μm, which can meet needs for the high precision non-contact surface profile measurement.

  2. Surface profiling of lithium with a laser-desorption mass-spectrometer microprobe

    International Nuclear Information System (INIS)

    Bickel, G.A.; Adams, H.M.

    1999-01-01

    A laser-desorption mass-spectrometer microprobe has been developed to profile Li distributions on the crevice surfaces of Cr-plated rolled-joint hubs. A single laser pulse is used to desorb and ionize the surface species followed by detection of Li + in a time-of-flight mass spectrometer. Images of the surface Li distribution are obtained with are solution of <10 μm. These images are directly compared with Li images from the more conventional secondary ion mass spectrometry technique and evaluated with respect to surface topographical features measured by secondary electron microscopy and atomic force microscopy. The laser-desorption images are shown to provide the same qualitative information as that available from secondary ion mass spectrometry. (author)

  3. Surface profiling of normally responding and nonreleasing basophils by flow cytometry

    DEFF Research Database (Denmark)

    Kistrup, Kasper; Poulsen, Lars Kærgaard; Jensen, Bettina Margrethe

    a maximum release blood mononuclear cells were purified by density centrifugation and using flow cytometry, basophils, defined as FceRIa+CD3-CD14-CD19-CD56-,were analysed for surface expression of relevant markers. All samples were compensated and analysed in logicle display. All gates......c, C3aR, C5aR CCR3, FPR1, ST2, CRTH2 on anti-IgE respondsive and nonreleasing basophils by flow cytometry, thereby generating a surface profile of the two phenotypes. Methods Fresh buffy coat blood (

  4. Contrasting optical properties of surface waters across the Fram Strait and its potential biological implications

    DEFF Research Database (Denmark)

    Pavlov, Alexey K.; Granskog, Mats A.; Stedmon, Colin A.

    2015-01-01

    Spitsbergen Current (WSC) differ with regards to temperature, salinity and optical properties. We present data on absorption properties of CDOM and particles across the Fram Strait (along 79° N), comparing Polar and Atlantic surface waters in September 2009 and 2010. CDOM absorption of Polar water in the EGC...... budget in the upper 0-10m shifts across Fram Strait. Under water spectral irradiance profiles were generated using ECOLIGHT 5.4.1 and the results indicate that the shift in composition between dissolved and particulate material does not influence substantially the penetration of photosynthetic active...... radiation (PAR, 400-700nm), but does result in notable differences in ultraviolet (UV) light penetration, with higher attenuation in the EGC. Future changes in the Arctic Ocean system will likely affect EGC through diminishing sea-ice cover and potentially increasing CDOM export due to increase in river...

  5. Potential energy surface for ? dissociation including spin-orbit effects

    Science.gov (United States)

    Siebert, Matthew R.; Aquino, Adelia J. A.; de Jong, Wibe A.; Granucci, Giovanni; Hase, William L.

    2012-10-01

    Previous experiments [J. Phys. Chem. A 116, 2833 (2012)] have studied the dissociation of 1,2-diiodoethane radical cation ( ? ) and found a one-dimensional distribution of translational energy, an odd finding considering most product relative translational energy distributions are two-dimensional. The goal of this study is to obtain an accurate understanding of the potential energy surface (PES) topology for the unimolecular decomposition reaction ? → C2H4I+ + I•. This is done through comparison of many single-reference electronic structure methods, coupled-cluster single-point (energy) calculations, and multi-reference energy calculations used to quantify spin-orbit (SO) coupling effects. We find that the structure of the ? reactant has a substantial effect on the role of the SO coupling on the reaction energy. Both the BHandH and MP2 theories with an ECP/6-31++G** basis set, and without SO coupling corrections, provide accurate models for the reaction energetics. MP2 theory gives an unsymmetric structure with different C-I bond lengths, resulting in a SO energy for ? similar to that for the product I-atom and a negligible SO correction to the reaction energy. In contrast, DFT gives a symmetric structure for ? , similar to that of the neutral C2H4I2 parent, resulting in a substantial SO correction and increasing the reaction energy by 6.0-6.5 kcalmol-1. Also, we find that, for this system, coupled-cluster single-point energy calculations are inaccurate, since a small change in geometry can lead to a large change in energy.

  6. Angular calibration of surface slope measuring profilers with a bendable mirror

    Science.gov (United States)

    Artemiev, Nikolay A.; Smith, Brian V.; Domning, Edward E.; Chow, Ken P.; Lacey, Ian; Yashchuk, Valeriy V.

    2014-09-01

    Performance of state-of-the-art surface slope measuring profilers, such as the Advanced Light Source's (ALS) long trace profiler (LTP-II) and developmental LTP (DLTP) is limited by the instrument's systematic error. The systematic error is specific for a particular measurement arrangement and, in general, depends on both the measured surface slope value and the position along a surface under test. Here we present an original method to characterize or measure the instrument's systematic error using a bendable X-ray mirror as a test surface. The idea of the method consists of extracting the systematic error from multiple measurements performed at different mirror bendings. An optimal measurement strategy for the optic, under different settings of the benders, and the method of accurate fitting of the measured slope variations with characteristic functions are discussed. We describe the procedure of separation of the systematic error of an actual profiler from surface slope variation inherent to the optic. The obtained systematic error, expressed as a function of the angle of measurement, is useful as a calibration of the instrument arranged to measure an optic with a close curvature and length. We show that accounting for the systematic error enables the optimal setting of bendable optics to the desired ideal shape with accuracy limited only by the experimental noise. Application of the method in the everyday metrology practice increases the accuracy of the measurements and allows measurements of highly curved optics with accuracy similar to those achieved with flat optics. This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

  7. Aeolian vertical mass flux profiles above dry and moist sandy beach surfaces

    Science.gov (United States)

    Rotnicka, Joanna

    2013-04-01

    The vertical distribution of aeolian mass flux was investigated in a natural beach environment. Field experiments conducted on the beach of the Łeba Barrier, southern Baltic coast, Poland, measured the sand transport rate and the vertical mass flux distribution above dry rippled sand and a moist flat sandy surface. The experiments were intended to show the changes in the vertical distribution of sand with changing wind speed. All the data represent saturated flux conditions. Sand transport was measured using 0.5 m-high vertically segmented passive sand traps, while the wind speed and direction were monitored at 1 m elevation. The obtained dataset comprises 65 measurements on dry surfaces and 51 measurements on moist sandy surfaces. The sand transport rate above the moist surface was up to 90% higher than above the dry surface for wind speeds of 7-11 m/s, but higher velocities gave smaller differences between the surfaces. The saltation layer was thicker above the moist surface than above the dry surface. All the vertical sand flux profiles are best described by exponential decay functions. Analysis of the normalised flux profiles grouped by wind velocity shows that the fitted curves are less inclined for moist surfaces than dry surfaces. Moreover, the regression coefficients depict a marked trend in which the intercept decreases and the slope increases with increasing wind speed; this indicates that more sand is transported at higher elevations above the bed and less at lower elevations. The proportion of total transport seems to be independent of wind speed at elevations of approximately 35 mm and 50 mm above the dry and moist surfaces, respectively. Differences between the measured- and exponential-fit values of mass flux are particularly distinct close to the bed, where the exponential fit either over- or under-predicts the measured values. Over-predictions occur in weaker winds (up to 6-7 m/s), whereas under-predictions become more pronounced as the wind

  8. Profile of elotuzumab and its potential in the treatment of multiple myeloma

    Directory of Open Access Journals (Sweden)

    Liu YC

    2014-06-01

    Full Text Available Yi-Chang Liu,1,2 Susann Szmania,1 Frits van Rhee1 1Myeloma Institute for Research and Therapy, University of Arkansas for Medical Sciences, Little Rock, AR, USA; 2Faculty of Medicine, College of Medicine, Kaohsiung Medical University and Department of Hematology-Oncology, Kaohsiung Medical University Hospital, Kaohsiung, Taiwan Abstract: Although the introduction of novel drugs has improved outcome significantly in multiple myeloma (MM, many patients still eventually relapse. Monoclonal antibodies (mAbs targeting MM-related antigens can complement currently available therapies. CS1 (also known as CD2 subunit 1, SLAMF7, CD319, and CRACC, a cell surface glycoprotein receptor that is a member of the signaling lymphocytic activation molecule (SLAM family, is highly and nearly uniformly expressed in myeloma cells at the gene and protein level, but not expressed in other tissues, including hematopoietic stem cells, making CS1 a compelling target for the design of immunotherapies directed at MM. Elotuzumab (formerly HuLuc63, which is a humanized IgG1 mAb recognizing the extracellular region of human CS1, has been shown to be effective in preclinical and early stage clinical investigations, and its efficacy and safety will be further validated in ongoing Phase III trials. Integration of elotuzumab into multidrug therapeutic paradigms seems logical, as elotuzumab is more effective when combined with other agents, such as immunomodulatory drugs or proteasome inhibitors. The functional role of CS1 in MM pathogenesis and the consequences of elotuzumab on normal immune cells should be further investigated. Identification of potential biomarkers and exploration of resistance mechanisms are important issues for elotuzumab-based therapies, as is determining the best clinical placement of elotuzumab, not only in the relapsed/refractory setting but also in upfront therapy for high-risk frank MM, smoldering MM at high-risk of progression, and in maintenance

  9. Surface grafted polymer brushes: potential applications in dengue biosensors

    International Nuclear Information System (INIS)

    Baratela, Fernando Jose Costa; Higa, Olga Zazuco; Faria, Henrique Antonio Mendonca de; Queiroz, Alvaro Antonio Alencar de

    2013-01-01

    A polymer brush membrane-based ultrasensitive biosensor for dengue diagnosis was constructed using poly(hydroxyethyl methacrylate) (PHEMA) brushes immobilized onto low density polyethylene (LDPE) films. LDPE surface films were initially modified by Ar + ion irradiation to activate the polymer surface. Subsequently, graft polymerization of 2-hydroxyethyl methacrylate onto the activated LDPE surface was carried out under aqueous conditions to create patterned polymer brushes of PHEMA. The grafted PHEMA brushes were characterized by Fourier transform-infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and contact angle analysis. The SEM observations showed that selective surface activation with Ar+ implantation and graft polymerization on the selectively activated surface had occurred. The PHEMA brushes were electrically characterized in the presence of concentrations of human immunoglobulin (IgG). The proposed amperometric biosensor was successfully used for determination of IgG in physiologic samples with excellent responses. (author)

  10. Surface grafted polymer brushes: potential applications in dengue biosensors

    Energy Technology Data Exchange (ETDEWEB)

    Baratela, Fernando Jose Costa; Higa, Olga Zazuco, E-mail: ozahiga@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Faria, Henrique Antonio Mendonca de; Queiroz, Alvaro Antonio Alencar de, E-mail: alencar@unifei.edu.br [Universidade Federal de Itajuba (UNIFEI), Itajuba, MG (Brazil). Instituto de Fisica e Quimica

    2013-07-01

    A polymer brush membrane-based ultrasensitive biosensor for dengue diagnosis was constructed using poly(hydroxyethyl methacrylate) (PHEMA) brushes immobilized onto low density polyethylene (LDPE) films. LDPE surface films were initially modified by Ar{sup +} ion irradiation to activate the polymer surface. Subsequently, graft polymerization of 2-hydroxyethyl methacrylate onto the activated LDPE surface was carried out under aqueous conditions to create patterned polymer brushes of PHEMA. The grafted PHEMA brushes were characterized by Fourier transform-infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and contact angle analysis. The SEM observations showed that selective surface activation with Ar+ implantation and graft polymerization on the selectively activated surface had occurred. The PHEMA brushes were electrically characterized in the presence of concentrations of human immunoglobulin (IgG). The proposed amperometric biosensor was successfully used for determination of IgG in physiologic samples with excellent responses. (author)

  11. Probing the surface profile and friction behavior of heterogeneous polymers: a molecular dynamics study

    Science.gov (United States)

    Dai, L.; Sorkin, V.; Zhang, Y. W.

    2017-04-01

    We perform molecular dynamics simulations to investigate molecular structure alternation and friction behavior of heterogeneous polymer (perfluoropolyether) surfaces using a nanoscale probing tip (tetrahedral amorphous carbon). It is found that depending on the magnitude of the applied normal force, three regimes exist: the shallow depth-sensing (SDS), deep depth-sensing (DDS), and transitional depth-sensing (TDS) regimes; TDS is between SDS and DDS. In SDS, the tip is floating on the polymer surface and there is insignificant permanent alternation in the polymer structure due to largely recoverable atomic deformations, and the surface roughness profile can be accurately measured. In DDS, the tip is plowing through the polymer surface and there is significant permanent alternation in the molecular structure. In this regime, the lateral friction force rises sharply and fluctuates violently when overcoming surface pile-ups. In SDS, the friction can be described by a modified Amonton’s law including the adhesion effect; meanwhile, in DDS, the adhesion effect is negligible but the friction coefficient is significantly higher. The underlying reason for the difference in these regimes rests upon different contributions by the repulsion and attraction forces between the tip and polymer surfaces to the friction force. Our findings here reveal important insights into lateral depth-sensing on heterogeneous polymer surfaces and may help improve the precision of depth-sensing devices.

  12. 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.

  13. Surface profile measurement by using the integrated Linnik WLSI and confocal microscope system

    Science.gov (United States)

    Wang, Wei-Chung; Shen, Ming-Hsing; Hwang, Chi-Hung; Yu, Yun-Ting; Wang, Tzu-Fong

    2017-06-01

    The white-light scanning interferometer (WLSI) and confocal microscope (CM) are the two major optical inspection systems for measuring three-dimensional (3D) surface profile (SP) of micro specimens. Nevertheless, in practical applications, WLSI is more suitable for measuring smooth and low-slope surfaces. On the other hand, CM is more suitable for measuring uneven-reflective and low-reflective surfaces. As for aspect of surface profiles to be measured, the characteristics of WLSI and CM are also different. WLSI is generally used in semiconductor industry while CM is more popular in printed circuit board industry. In this paper, a self-assembled multi-function optical system was integrated to perform Linnik white-light scanning interferometer (Linnik WLSI) and CM. A connecting part composed of tubes, lenses and interferometer was used to conjunct finite and infinite optical systems for Linnik WLSI and CM in the self-assembled optical system. By adopting the flexibility of tubes and lenses, switching to perform two different optical measurements can be easily achieved. Furthermore, based on the shape from focus method with energy of Laplacian filter, the CM was developed to enhance the on focal information of each pixel so that the CM can provide all-in-focus image for performing the 3D SP measurement and analysis simultaneously. As for Linnik WLSI, eleven-step phase shifting algorithm was used to analyze vertical scanning signals and determine the 3D SP.

  14. Molecular expression profile reveals potential biomarkers and therapeutic targets in canine endometrial lesions

    OpenAIRE

    Voorwald, Fabiana Azevedo [UNESP; Marchi, Fabio Albuquerque; Villacis, Rolando Andre Rios; Alves, Carlos Eduardo Fonseca [UNESP; Toniollo, Gilson Hélio [UNESP; Amorim, Renee Laufer [UNESP; Drigo, Sandra Aparecida [UNESP; Rogatto, Silvia Regina [UNESP

    2015-01-01

    Cystic endometrial hyperplasia (CEH), mucometra, and pyometra are common uterine diseases in intact dogs, with pyometra being a life threatening disease. This study aimed to determine the gene expression profile of these lesions and potential biomarkers for closed-cervix pyometra, the most severe condition. Total RNA was extracted from 69 fresh endometrium samples collected from 21 healthy female dogs during diestrus, 16 CEH, 15 mucometra and 17 pyometra (eight open and nine closed-cervixes)....

  15. Surface reflectance drives nest box temperature profiles and thermal suitability for target wildlife.

    Directory of Open Access Journals (Sweden)

    Stephen R Griffiths

    Full Text Available Thermal properties of tree hollows play a major role in survival and reproduction of hollow-dependent fauna. Artificial hollows (nest boxes are increasingly being used to supplement the loss of natural hollows; however, the factors that drive nest box thermal profiles have received surprisingly little attention. We investigated how differences in surface reflectance influenced temperature profiles of nest boxes painted three different colors (dark-green, light-green, and white: total solar reflectance 5.9%, 64.4%, and 90.3% respectively using boxes designed for three groups of mammals: insectivorous bats, marsupial gliders and brushtail possums. Across the three different box designs, dark-green (low reflectance boxes experienced the highest average and maximum daytime temperatures, had the greatest magnitude of variation in daytime temperatures within the box, and were consistently substantially warmer than light-green boxes (medium reflectance, white boxes (high reflectance, and ambient air temperatures. Results from biophysical model simulations demonstrated that variation in diurnal temperature profiles generated by painting boxes either high or low reflectance colors could have significant ecophysiological consequences for animals occupying boxes, with animals in dark-green boxes at high risk of acute heat-stress and dehydration during extreme heat events. Conversely in cold weather, our modelling indicated that there are higher cumulative energy costs for mammals, particularly smaller animals, occupying light-green boxes. Given their widespread use as a conservation tool, we suggest that before boxes are installed, consideration should be given to the effect of color on nest box temperature profiles, and the resultant thermal suitability of boxes for wildlife, particularly during extremes in weather. Managers of nest box programs should consider using several different colors and installing boxes across a range of both orientations and

  16. Surface reflectance drives nest box temperature profiles and thermal suitability for target wildlife.

    Science.gov (United States)

    Griffiths, Stephen R; Rowland, Jessica A; Briscoe, Natalie J; Lentini, Pia E; Handasyde, Kathrine A; Lumsden, Linda F; Robert, Kylie A

    2017-01-01

    Thermal properties of tree hollows play a major role in survival and reproduction of hollow-dependent fauna. Artificial hollows (nest boxes) are increasingly being used to supplement the loss of natural hollows; however, the factors that drive nest box thermal profiles have received surprisingly little attention. We investigated how differences in surface reflectance influenced temperature profiles of nest boxes painted three different colors (dark-green, light-green, and white: total solar reflectance 5.9%, 64.4%, and 90.3% respectively) using boxes designed for three groups of mammals: insectivorous bats, marsupial gliders and brushtail possums. Across the three different box designs, dark-green (low reflectance) boxes experienced the highest average and maximum daytime temperatures, had the greatest magnitude of variation in daytime temperatures within the box, and were consistently substantially warmer than light-green boxes (medium reflectance), white boxes (high reflectance), and ambient air temperatures. Results from biophysical model simulations demonstrated that variation in diurnal temperature profiles generated by painting boxes either high or low reflectance colors could have significant ecophysiological consequences for animals occupying boxes, with animals in dark-green boxes at high risk of acute heat-stress and dehydration during extreme heat events. Conversely in cold weather, our modelling indicated that there are higher cumulative energy costs for mammals, particularly smaller animals, occupying light-green boxes. Given their widespread use as a conservation tool, we suggest that before boxes are installed, consideration should be given to the effect of color on nest box temperature profiles, and the resultant thermal suitability of boxes for wildlife, particularly during extremes in weather. Managers of nest box programs should consider using several different colors and installing boxes across a range of both orientations and shade profiles (i

  17. Radial Surface Density Profiles of Gas and Dust in the Debris Disk around 49 Ceti

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, A. Meredith; Lieman-Sifry, Jesse; Flaherty, Kevin M.; Daley, Cail M. [Department of Astronomy, Van Vleck Observatory, Wesleyan University, 96 Foss Hill Drive, Middletown, CT 06459 (United States); Roberge, Aki [Exoplanets and Stellar Astrophysics Laboratory, NASA Goddard Space Flight Center, Code 667, Greenbelt, MD 20771 (United States); Kóspál, Ágnes; Moór, Attila; Ábrahám, Peter [Konkoly Observatory, Research Centre for Astronomy and Earth Sciences, Hungarian Academy of Sciences, P.O. Box 67, 1525 Budapest (Hungary); Kamp, Inga [Kapteyn Astronomical Institute, University of Groningen, Postbus 800, 9700 AV Groningen (Netherlands); Wilner, David J.; Andrews, Sean M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS-51, Cambridge, MA 02138 (United States); Kastner, Joel H., E-mail: amhughes@astro.wesleyan.edu [Rochester Institute of Technology, 54 Lomb Memorial Drive, Rochester, NY 14623 (United States)

    2017-04-20

    We present ∼0.″4 resolution images of CO(3–2) and associated continuum emission from the gas-bearing debris disk around the nearby A star 49 Ceti, observed with the Atacama Large Millimeter/Submillimeter Array (ALMA). We analyze the ALMA visibilities in tandem with the broadband spectral energy distribution to measure the radial surface density profiles of dust and gas emission from the system. The dust surface density decreases with radius between ∼100 and 310 au, with a marginally significant enhancement of surface density at a radius of ∼110 au. The SED requires an inner disk of small grains in addition to the outer disk of larger grains resolved by ALMA. The gas disk exhibits a surface density profile that increases with radius, contrary to most previous spatially resolved observations of circumstellar gas disks. While ∼80% of the CO flux is well described by an axisymmetric power-law disk in Keplerian rotation about the central star, residuals at ∼20% of the peak flux exhibit a departure from axisymmetry suggestive of spiral arms or a warp in the gas disk. The radial extent of the gas disk (∼220 au) is smaller than that of the dust disk (∼300 au), consistent with recent observations of other gas-bearing debris disks. While there are so far only three broad debris disks with well characterized radial dust profiles at millimeter wavelengths, 49 Ceti’s disk shows a markedly different structure from two radially resolved gas-poor debris disks, implying that the physical processes generating and sculpting the gas and dust are fundamentally different.

  18. Plasma, urine and ligament tissue metabolite profiling reveals potential biomarkers of ankylosing spondylitis using NMR-based metabolic profiles.

    Science.gov (United States)

    Wang, Wei; Yang, Gen-Jin; Zhang, Ju; Chen, Chen; Jia, Zhen-Yu; Li, Jia; Xu, Wei-Dong

    2016-10-22

    they were also probably associated with immune regulation. Our work demonstrates that the potential biomarkers that were identified appeared to have diagnostic value for AS and deserve to be further investigated. In addition, this work also suggests that the metabolomic profiling approach is a promising screening tool for the diagnosis of patients with AS.

  19. Vertical profiles of aerosol optical properties over central Illinois and comparison with surface and satellite measurements

    Science.gov (United States)

    Sheridan, P. J.; Andrews, E.; Ogren, J. A.; Tackett, J. L.; Winker, D. M.

    2012-12-01

    Between June 2006 and September 2009, an instrumented light aircraft measured over 400 vertical profiles of aerosol and trace gas properties over eastern and central Illinois. The primary objectives of this program were to (1) measure the in situ aerosol properties and determine their vertical and temporal variability and (2) relate these aircraft measurements to concurrent surface and satellite measurements. The primary profile location was within 15 km of the NOAA/ESRL surface aerosol monitoring station near Bondville, Illinois. Identical instruments at the surface and on the aircraft ensured that the data from both platforms would be directly comparable and permitted a determination of how representative surface aerosol properties were of the lower column. Aircraft profiles were also conducted occasionally at two other nearby locations to increase the frequency of A-Train satellite underflights for the purpose of comparing in situ and satellite-retrieved aerosol data. Measurements of aerosol properties conducted at low relative humidity over the Bondville site compare well with the analogous surface aerosol data and do not indicate any major sampling issues or that the aerosol is radically different at the surface compared with the lowest flyby altitude of ~ 240 m above ground level. Statistical analyses of the in situ vertical profile data indicate that aerosol light scattering and absorption (related to aerosol amount) decreases substantially with increasing altitude. Parameters related to the nature of the aerosol (e.g., single-scattering albedo, Ångström exponent, etc.), however, are relatively constant throughout the mixed layer, and do not vary as much as the aerosol amount throughout the profile. While individual profiles often showed more variability, the median in situ single-scattering albedo was 0.93-0.95 for all sampled altitudes. Several parameters (e.g., submicrometer scattering fraction, hemispheric backscattering fraction, and scattering

  20. Vertical profiles of aerosol optical properties over central Illinois and comparison with surface and satellite measurements

    Directory of Open Access Journals (Sweden)

    P. J. Sheridan

    2012-12-01

    Full Text Available Between June 2006 and September 2009, an instrumented light aircraft measured over 400 vertical profiles of aerosol and trace gas properties over eastern and central Illinois. The primary objectives of this program were to (1 measure the in situ aerosol properties and determine their vertical and temporal variability and (2 relate these aircraft measurements to concurrent surface and satellite measurements. The primary profile location was within 15 km of the NOAA/ESRL surface aerosol monitoring station near Bondville, Illinois. Identical instruments at the surface and on the aircraft ensured that the data from both platforms would be directly comparable and permitted a determination of how representative surface aerosol properties were of the lower column. Aircraft profiles were also conducted occasionally at two other nearby locations to increase the frequency of A-Train satellite underflights for the purpose of comparing in situ and satellite-retrieved aerosol data. Measurements of aerosol properties conducted at low relative humidity over the Bondville site compare well with the analogous surface aerosol data and do not indicate any major sampling issues or that the aerosol is radically different at the surface compared with the lowest flyby altitude of ~ 240 m above ground level. Statistical analyses of the in situ vertical profile data indicate that aerosol light scattering and absorption (related to aerosol amount decreases substantially with increasing altitude. Parameters related to the nature of the aerosol (e.g., single-scattering albedo, Ångström exponent, etc., however, are relatively constant throughout the mixed layer, and do not vary as much as the aerosol amount throughout the profile. While individual profiles often showed more variability, the median in situ single-scattering albedo was 0.93–0.95 for all sampled altitudes. Several parameters (e.g., submicrometer scattering fraction, hemispheric backscattering fraction, and

  1. Clonal analyses and gene profiling identify genetic biomarkers of the thermogenic potential of human brown and white preadipocytes.

    Science.gov (United States)

    Xue, Ruidan; Lynes, Matthew D; Dreyfuss, Jonathan M; Shamsi, Farnaz; Schulz, Tim J; Zhang, Hongbin; Huang, Tian Lian; Townsend, Kristy L; Li, Yiming; Takahashi, Hirokazu; Weiner, Lauren S; White, Andrew P; Lynes, Maureen S; Rubin, Lee L; Goodyear, Laurie J; Cypess, Aaron M; Tseng, Yu-Hua

    2015-07-01

    Targeting brown adipose tissue (BAT) content or activity has therapeutic potential for treating obesity and the metabolic syndrome by increasing energy expenditure. However, both inter- and intra-individual differences contribute to heterogeneity in human BAT and potentially to differential thermogenic capacity in human populations. Here we generated clones of brown and white preadipocytes from human neck fat and characterized their adipogenic and thermogenic differentiation. We combined an uncoupling protein 1 (UCP1) reporter system and expression profiling to define novel sets of gene signatures in human preadipocytes that could predict the thermogenic potential of the cells once they were maturated. Knocking out the positive UCP1 regulators, PREX1 and EDNRB, in brown preadipocytes using CRISPR-Cas9 markedly abolished the high level of UCP1 in brown adipocytes differentiated from the preadipocytes. Finally, we were able to prospectively isolate adipose progenitors with great thermogenic potential using the cell surface marker CD29. These data provide new insights into the cellular heterogeneity in human fat and offer potential biomarkers for identifying thermogenically competent preadipocytes.

  2. LASSI - A Scanning Differential Ac Interferometer For Surface Profile And Roughness Measurement

    Science.gov (United States)

    Makosch, Guenter

    1989-03-01

    LASSI (Laser Spot Scanning Interferometer) is a highly precise and versatile surface profilometer developed for various measurement applications in surface lapping, etching and polishing processes. The principle of measurement is based on a differential interferometer in which two parallel light beams split from a He-Ne laser are scanned across a sample surface. The phase difference of the reflected beams changes proportionally with the height variation between the two spots illuminated on the surface. In using a phase-locked method to determine the phase differences height variations of a surface can be measured with manometer precision. The range of applications of an instrument built on this principle encompasses step height, roughness, slope, and profile measurement of surface microtopographies. Special versions of this tool have also been developed for in situ monitoring of etch or deposition rates in sputter-etching and wet etching processes. In this paper, the principle of measurement will be described and some theoretical aspects of the measurement technique will be discussed. The various LASSI tools and their applications are reviewed.

  3. Wegner Estimates for Some Random Operators with Anderson-type Surface Potentials

    Science.gov (United States)

    Kitagaki, Yoshihiko

    2010-03-01

    For Schrödinger operator with random potentials concentrated near a surface, Wegner-type estimates are proven by using the spectral averaging method of Combes, Hislop and Klopp. These estimates allow us to show the local regularity of the integrated density of surface states at the gap of the background periodic operator. Acoustic operator with random surface potentials is treated similarly.

  4. Modelling of composition and stress profiles in low temperature surface engineered stainless steel

    DEFF Research Database (Denmark)

    Jespersen, Freja Nygaard; Hattel, Jesper Henri; Somers, Marcel A. J.

    2015-01-01

    stresses are introduced in the developing case, arising from the volume expansion that accompanies the dissolution of high interstitial contents in expanded austenite. Modelling of the composition and stress profiles developing during low temperature surface engineering from the processing parameters...... temperature, time and gas composition is a prerequisite for targeted process optimization. A realistic model to simulate the developing case has to take the following influences on composition and stress into account: - a concentration dependent diffusion coefficient - trapping of nitrogen by chromium atoms...... - the effect of residual stress on diffusive flux - the effect of residual stress on solubility of interstitials - plastic accommodation of residual stress. The effect of all these contributions on composition and stress profiles will be addressed....

  5. Profiles

    International Nuclear Information System (INIS)

    2004-01-01

    Profiles is a synthetic overview of more than 100 national energy markets in the world, providing insightful facts and key energy statistics. A Profile is structured around 6 main items and completed by key statistics: Ministries, public agencies, energy policy are concerned; main companies in the oil, gas, electricity and coal sectors, status, shareholders; reserve, production, imports and exports, electricity and refining capacities; deregulation of prices, subsidies, taxes; consumption trends by sector, energy market shares; main energy projects, production and consumption prospects. Statistical Profiles are present in about 3 pages the main data and indicators on oil, gas, coal and electricity. (A.L.B.)

  6. Temperature-dependent electronic decay profiles in CZT: probe of bulk and surface properties

    Science.gov (United States)

    Kessick, Royal; Maupin, Hugh; Tepper, Gary C.; Szeles, Csaba

    2003-01-01

    The electronic performance of CZT-based gamma radiation spectrometers is governed by a synergism of bulk and surface properties. Compensation is used to increase the bulk resistivity of Cd1-xZnxTe (x~0.1), but the same electronic states that are introduced to increase the material resistivity can also trap charge and reduce the carrier lifetime. Electrical and mechanical surface defects introduced during or subsequent to crystal harvesting are also known to interfere with device performance. Using a contactless, pulsed laser microwave cavity perturbation technique, electronic decay profiles were studied in high pressure Bridgman CZT as a function of temperature. The electronic decay profile was found to depend very strongly on temperature and was modeled using a function consisting of two exponential terms with temperature-dependent amplitudes and time constants. The model was used to relate the observed temperature dependent decay kinetics in CZT to specific trap energies. It was found that, at low temperatures, the electronic decay process is dominated by a deep trap with an energy of approximately 0.69 +/- 0.1 eV from the band edge. As the temperature is increased, the charge trapping becomes dominated by a second trap with an energy of approximately 0.60 +/- 0.1 eV from the band edge. Surface damage introduces additional charge traps that significantly alter the decay kinetics particularly at low temperatures.

  7. 3D Surface Profile and Color Stability of Tooth Colored Filling Materials after Bleaching.

    Science.gov (United States)

    Irawan, Bryant Anthony; Irawan, Stacey Natalie; Masudi, Sam'an Malik; Sukminingrum, Ninin; Alam, Mohammad Khursheed

    2015-01-01

    This study aims to evaluate the effects of vital tooth bleaching with carbamide peroxide home bleaching and in-office bleaching on the color stability and 3D surface profile of dental restorative filling materials. Thirty discs (n = 30) measure 6 mm in diameter and 2 mm thick for each of three restorative materials. These are nanofilled composite Filtek Z350 XT, the submicron composite Estelite Σ Quick, and nanofilled glass ionomer Ketac N100 nanoionomer and were fabricated in shade A2. Each group was further divided into three subgroups (n = 10): subgroup A (Opalescence PF), subgroup B (Opalescence Boost in-office bleaching), and subgroup C (distilled water) serving as control. Samples were bleached according to the manufacturer's instructions for a period of two weeks. The Commission Internationale de L'Eclairage (CIE L(*), a(*), b(*)) system was chosen for image processing, while 3D surface profile was tested with atomic force microscopy (AFM). Statistical analyses were performed with the Mann-Whitney tests and Krusal-Wallis with a P value of ≤ 0.05. The three restorative materials showed significant color changes (ΔE); P ≤ 0.05. In diminishing order, the mean color changes recorded were Estelite Σ (3.82 ± 1.6) > Ketac Nano (2.97 ± 1.2) > Filtek Z350 XT (2.25 ± 1.0). However, none of the tested materials showed statistically significant changes in surface roughness; P > 0.05.

  8. Geometric Parameters of Cutting Tools that Can be Used for Forming Sided Surfaces with Variable Profile

    Directory of Open Access Journals (Sweden)

    Razumov M.

    2017-03-01

    Full Text Available This article describes machining technology of polyhedral surfaces with varying profile, which is provided by planetary motion of multiblade block tools. The features of the technology and urgency of the problem is indicated. The purpose of the study is to determine the minimum value of the clearance angle of the tool. Also, the study is carried out about changing the value of the front and rear corners during the formation of polygonal surface using a planetary gear. The scheme of calculating the impact of various factors on the value of the minimum clearance angle of the tool and kinematic front and rear corners of the instrument is provided. The mathematical formula for calculating the minimum clearance angle of the tool is given. Also, given the formula for determining the front and rear corners of the tool during driving. This study can be used in the calculation of the design operations forming multifaceted external surfaces with a variable profile by using the planetary gear.

  9. Nuclear stimulated desorption as a potential tool for surface study

    International Nuclear Information System (INIS)

    Nir, Dror.

    1993-03-01

    The described research work constitutes a base for an experimental method to be implemented in the study of solid surfaces. Nuclear Stimulated Desorption (NSD) is a new mode of experimentation in thin film and surface physics. It Is based on the interplay between nuclear phenomena (reactions and spontaneous decays), and atomic - scale induced effects on surfaces and very thin films. One may distinguish between two generically different relationships between the two. First, the dynamics of the nuclear reaction -primarily the recoil of the nucleus - may effect the position of the atom or molecule containing it. Second, the nuclear reaction (or decay) may serve as an analytical indicator of the whereabouts of the atom, or molecule, in question. In nuclear stimulated desorption, both thee aspects combine in an essential way. Namely, one employs a series of two consecutive decays (normally weak decays or isomeric transition) . The first of these decays causes the nucleus to desorb from a surface onto which it had been placed; the second serves to determine the position of the daughter and thereby the characteristics of the primary desorption . The essential feature in NSD is that it occurs almost exclusively from the outermost surface layer. This is because we choose to work with nuclei whose recoil energy Is of the same order of magnitude of the binding energy of the atom to the surface . Furthermore, the desorption probability and its angular (and temporal) characteristics, depend on the features (topology, morphology) of its immediate neighborhood. This work describes experiments which were designed to give relevant, phenomenological information about the outgoing flux of the radioactive daughters (for specifically chosen nuclear species) , and in particular the magnitude of the flux, its time dependence and its charged state. In addition. the basic phenomena itself is being distinguished from competing processes (thermal desorption, in particular). We will now

  10. Investigating the time-dependent zeta potential of wood surfaces.

    Science.gov (United States)

    Muff, Livius F; Luxbacher, Thomas; Burgert, Ingo; Michen, Benjamin

    2018-05-15

    This work reports on streaming potential measurements through natural capillaries in wood and investigates the cause of a time-dependent zeta potential measured during the equilibration of wood cell-walls with an electrolyte solution. For the biomaterial, this equilibration phase takes several hours, which is much longer than for many other materials that have been characterized by electrokinetic measurements. During this equilibration phase the zeta potential magnitude is decaying due to two parallel mechanisms: (i) the swelling of the cell-wall which causes a dimensional change reducing the charge density at the capillary interface; (ii) the transport of ions from the electrolyte solution into the permeable cell-wall which alters the electrical potential at the interface by internal charge compensation. The obtained results demonstrate the importance of equilibration kinetics for an accurate determination of the zeta potential, especially for materials that interact strongly with the measurement electrolyte. Moreover, the change in zeta potential with time can be correlated with the bulk swelling of wood if the effect of electrolyte ion diffusion is excluded. This study shows the potential of streaming potential measurements of wood, and possibly of other hygroscopic and nanoporous materials, to reveal kinetic information about their interaction with liquids, such as swelling and ion uptake. Copyright © 2018 Elsevier Inc. All rights reserved.

  11. Ionic profile of honey as a potential indicator of botanical origin and global environmental pollution

    International Nuclear Information System (INIS)

    Fermo, Paola; Beretta, Giangiacomo; Maffei Facino, Roberto; Gelmini, Fabrizio; Piazzalunga, Andrea

    2013-01-01

    Aim of this study was to determine by Ion Chromatography ions (Na + , Ca ++ , Mg ++ , NH 4 + , Cl − , Br − , SO 4 2− , NO 3 − , PO 4 3− ) in honeys (honeydew and floral nectar honeys) from different Italian Regions and from countries of the Western Balkan area. The compositional data were processed by multivariate analysis (PCA and HCA). Arboreal honeydew honeys from the Western Balkans had higher concentrations (from two to three times) of some environmental pollutants (Br − , SO 4 2− and PO 4 3− contents), due to industrial and agricultural activities, than those from Italian regions. The cationic profiles were very similar in both groups. Multivariate analysis indicated a clear difference between nectar honeys and arboreal/honeydew honeys (recognition of the botanical origin). These findings point to the potential of ionic constituents of honey as indicators of environmental pollution, botanical origin and authenticity. -- Highlights: •Analysis by IC of honeys from two areas with different environmental pollution (Italy and Balkans). •Chemometric techniques such as PCA and HCA used. •In Balkans area higher Br − , SO 4 2− and PO 4 3− due to industrial and agricultural activities. •Discrimination of honey botanical origin and authenticity on the base of IC data. •Honey ionic profiles as indicators of environmental pollution and botanical origin. -- Capsule: Ionic profiles of honey could be potential indicators of environmental pollution (industrial and agricultural), botanical origin and authenticity

  12. Mobile depth profiling and sub-surface imaging techniques for historical paintings—A review

    Energy Technology Data Exchange (ETDEWEB)

    Alfeld, Matthias, E-mail: matthias.alfeld@desy.de [University of Hamburg, Department of Chemistry, Martin-Luther-King Platz 6, D-20146 Hamburg (Germany); University of Antwerp, Department of Chemistry, Groenenbrogerlaan 171, B-2020 Antwerp (Belgium); Broekaert, José A.C., E-mail: jose.broekaert@chemie.uni-hamburg.de [University of Hamburg, Department of Chemistry, Martin-Luther-King Platz 6, D-20146 Hamburg (Germany)

    2013-10-01

    Hidden, sub-surface paint layers and features contain valuable information for the art-historical investigation of a painting's past and for its conservation for coming generations. The number of techniques available for the study of these features has been considerably extended in the last decades and established techniques have been refined. This review focuses on mobile non-destructive subsurface imaging and depth profiling techniques, which allow for the in-situ investigation of easel paintings, i.e. paintings on a portable support. Among the techniques discussed are: X-ray radiography and infrared reflectography, which are long established methods and are in use for several decades. Their capabilities of element/species specific imaging have been extended by the introduction of energy/wavelength resolved measurements. Scanning macro-X-ray fluorescence analysis made it for the first time possible to acquire elemental distribution images in-situ and optical coherence tomography allows for the non-destructive study the surface paint layers in virtual cross-sections. These techniques and their variants are presented next to other techniques, such as Terahertz imaging, Nuclear Magnetic Resonance depth profiling and established techniques for non destructive testing (thermography, ultrasonic imaging and laser based interference methods) applied in the conservation of historical paintings. Next to selected case studies the capabilities and limitations of the techniques are discussed. - Highlights: • All mobile sub-surface and depth-profiling techniques for paintings are reviewed. • The number of techniques available has increased considerably in the last years. • X-ray radiography and infrared reflectography are still the most used techniques. • Scanning macro-XRF and optical coherence tomography begin to establish. • Industrial non destructive testing techniques support the preservation of paintings.

  13. Potential energy surfaces for Ж = , Ne- Ba nuclei

    Indian Academy of Sciences (India)

    112Ba nu- clei in an axially deformed relativistic mean field approach. A quadratic constraint scheme is applied to determine the complete energy surface for a wide range of the quadrupole deformation. The NL3, NL-RA1 and TM1 parameter sets ...

  14. Relationship between types of surface shear stress profiles and membrane fouling.

    Science.gov (United States)

    Chan, C C V; Bérubé, P R; Hall, E R

    2011-12-01

    Shear stress has been recognized as an important parameter in controlling particle back-transport from membrane surfaces. However, little is known of the relationship between transient shear conditions induced by air sparging and fouling control near membrane surfaces. In this paper, the different types of surface shear stress profiles that had beneficial effects on minimizing reversible surface fouling were examined. The relationship between different statistical shear parameters (e.g. time-averaged shear, standard deviation of shear and amplitude of shear) and fouling control that have been used by others were examined as well. It was found that the fouling rate for membranes subjected to transient shear conditions was lower than for membranes subjected to constant shear conditions. The magnitude, duration and frequency of the shear conditions were found to have an impact on the fouling rate of membranes. It was also found that although some statistical shear parameters could generally be used to relate shear and fouling, they were inadequate to relate surface shear stress to fouling, for all transient shear conditions examined. Copyright © 2011 Elsevier Ltd. All rights reserved.

  15. Compact Wideband and Low-Profile Antenna Mountable on Large Metallic Surfaces

    DEFF Research Database (Denmark)

    Zhang, Shuai; Pedersen, Gert F.

    2017-01-01

    This paper proposes a compact wideband and low-profile antenna mountable on large metallic surfaces. Six rows of coupled microstrip resonators with different lengths are printed on a Teflon block. The lengths of the microstrip resonators in different rows are gradually reduced along the end...... resonance at the lowest frequency. A trapezoid-shaped capacitive-feed (C-fed) strip is utilized and also printed on the Teflon block to globally optimize the wideband impedance matching. The proposed antenna covers a relative bandwidth of 109% for VSWR

  16. 1DTempPro: analyzing temperature profiles for groundwater/surface-water exchange

    Science.gov (United States)

    Voytek, Emily B.; Drenkelfuss, Anja; Day-Lewis, Frederick D.; Healy, Richard; Lane, John W.; Werkema, Dale D.

    2014-01-01

    A new computer program, 1DTempPro, is presented for the analysis of vertical one-dimensional (1D) temperature profiles under saturated flow conditions. 1DTempPro is a graphical user interface to the U.S. Geological Survey code Variably Saturated 2-Dimensional Heat Transport (VS2DH), which numerically solves the flow and heat-transport equations. Pre- and postprocessor features allow the user to calibrate VS2DH models to estimate vertical groundwater/surface-water exchange and also hydraulic conductivity for cases where hydraulic head is known.

  17. Effect of potential attraction term on surface tension of ionic liquids

    Science.gov (United States)

    Vaziri, N.; Khordad, R.; Rezaei, G.

    2018-03-01

    In this work, we have studied the effect of attraction term of molecular potential on surface tension of ionic liquids (ILs). For this purpose, we have introduced two different potential models to obtain analytical expressions for the surface tension of ILs. The introduced potential models have different attraction terms. The obtained surface tensions in this work have been compared with other theoretical methods and also experimental data. Using the calculated surface tension, the sound velocity is also estimated. We have studied the structural effects on the surface tensions of imidazolium-based ionic liquids. It is found that the cation alkyl chain length and the anion size play important roles to the surface tension of the selected ionic liquids. The calculated surface tensions show a good harmony with experimental data. It is clear that the attraction term of molecular potential has an important role on surface tension and sound velocity of our system.

  18. Multiplex flow cytometry barcoding and antibody arrays identify surface antigen profiles of primary and metastatic colon cancer cell lines.

    Directory of Open Access Journals (Sweden)

    Kumar Sukhdeo

    Full Text Available Colon cancer is a deadly disease affecting millions of people worldwide. Current treatment challenges include management of disease burden as well as improvements in detection and targeting of tumor cells. To identify disease state-specific surface antigen signatures, we combined fluorescent cell barcoding with high-throughput flow cytometric profiling of primary and metastatic colon cancer lines (SW480, SW620, and HCT116. Our multiplexed technique offers improvements over conventional methods by permitting the simultaneous and rapid screening of cancer cells with reduced effort and cost. The method uses a protein-level analysis with commercially available antibodies on live cells with intact epitopes to detect potential tumor-specific targets that can be further investigated for their clinical utility. Multiplexed antibody arrays can easily be applied to other tumor types or pathologies for discovery-based approaches to target identification.

  19. GPM and TRMM Radar Vertical Profiles and Impact on Large-scale Variations of Surface Rain

    Science.gov (United States)

    Wang, J. J.; Adler, R. F.

    2017-12-01

    Previous studies by the authors using Tropical Rainfall Measuring Mission (TRMM) and Global Precipitation Measurement (GPM) data have shown that TRMM Precipitation Radar (PR) and GPM Dual-Frequency Precipitation Radar (DPR) surface rain estimates do not have corresponding amplitudes of inter-annual variations over the tropical oceans as do passive microwave observations by TRMM Microwave Imager (TMI) and GPM Microwave Imager (GMI). This includes differences in surface temperature-rainfall variations. We re-investigate these relations with the new GPM Version 5 data with an emphasis on understanding these differences with respect to the DPR vertical profiles of reflectivity and rainfall and the associated convective and stratiform proportions. For the inter-annual variation of ocean rainfall from both passive microwave (TMI and GMI) and active microwave (PR and DPR) estimates, it is found that for stratiform rainfall both TMI-PR and GMI-DPR show very good correlation. However, the correlation of GMI-DPR is much higher than TMI-PR in convective rainfall. The analysis of vertical profile of PR and DPR rainfall during the TRMM and GPM overlap period (March-August, 2014) reveals that PR and DPR have about the same rainrate at 4km and above, but PR rainrate is more than 10% lower that of DPR at the surface. In other words, it seems that convective rainfall is better defined with DPR near surface. However, even though the DPR results agree better with the passive microwave results, there still is a significant difference, which may be a result of DPR retrieval error, or inherent passive/active retrieval differences. Monthly and instantaneous GMI and DPR data need to be analyzed in details to better understand the differences.

  20. Adsorption of lysozyme on base metal surfaces in the presence of an external electric potential.

    Science.gov (United States)

    Ei Ei, Htwe; Nakama, Yuhi; Tanaka, Hiroshi; Imanaka, Hiroyuki; Ishida, Naoyuki; Imamura, Koreyoshi

    2016-11-01

    The impact of external electric potential on the adsorption of a protein to base metal surfaces was examined. Hen egg white lysozyme (LSZ) and six types of base metal plates (stainless steel SUS316L (St), Ti, Ta, Zr, Cr, or Ni) were used as the protein and adsorption surface, respectively. LSZ was allowed to adsorb on the surface under different conditions (surface potential, pH, electrolyte type and concentration, surface material), which was monitored using an ellipsometer. LSZ adsorption was minimized in the potential range above a certain threshold and, in the surface potential range below the threshold, decreasing the surface potential increased the amount of protein adsorbed. The threshold potential for LSZ adsorption was shifted toward a positive value with increasing pH and was lower for Ta and Zr than for the others. A divalent anion salt (K2SO4) as an electrolyte exhibited the adsorption of LSZ in the positive potential range while a monovalent salt (KCl) did not. A comprehensive consideration of the obtained results suggests that two modes of interactions, namely the electric force by an external electric field and electrostatic interactions with ionized surface hydroxyl groups, act on the LSZ molecules and determine the extent of suppression of LSZ adsorption. All these findings appear to support the view that a base metal surface can be controlled for the affinity to a protein by manipulating the surface electric potential as has been reported on some electrode materials. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Gene co-expression networks and profiles reveal potential biomarkers of boar taint in pigs

    DEFF Research Database (Denmark)

    Drag, Markus; Skinkyté-Juskiené, R.; Do, D. N.

    Boar taint (BT) is an offensive odour or taste of porcine meat which may occur in entire male pigs due to skatole and androstenone accumulation. To avoid BT, castration of young piglets is performed but this strategy is under debate due to animal welfare concerns. The study aimed to reveal...... potential BT biomarkers for optimized breeding. Male pigs (n=48) with low, medium and high genetic merit of BT were selected and tissues from liver and testis were subjected to transcriptomic profiling by RNA-Seq. The reads were mapped to the Sus scrofa reference genome (Ensembl, ver. 79) which resulted...

  2. Fabrication of Micro-Optics Elements with Arbitrary Surface Profiles Based on One-Step Maskless Grayscale Lithography

    Directory of Open Access Journals (Sweden)

    Qinyuan Deng

    2017-10-01

    Full Text Available A maskless lithography method to realize the rapid and cost-effective fabrication of micro-optics elements with arbitrary surface profiles is reported. A digital micro-mirror device (DMD is applied to flexibly modulate that the exposure dose according to the surface profile of the structure to be fabricated. Due to the fact that not only the relationship between the grayscale levels of the DMD and the exposure dose on the surface of the photoresist, but also the dependence of the exposure depth on the exposure dose, deviate from a linear relationship arising from the DMD and photoresist, respectively, and cannot be systemically eliminated, complicated fabrication art and large fabrication error will results. A method of compensating the two nonlinear effects is proposed that can be used to accurately design the digital grayscale mask and ensure a precise control of the surface profile of the structure to be fabricated. To testify to the reliability of this approach, several typical array elements with a spherical surface, aspherical surface, and conic surface have been fabricated and tested. The root-mean-square (RMS between the test and design value of the surface height is about 0.1 μm. The proposed method of compensating the nonlinear effect in maskless lithography can be directly used to control the grayscale levels of the DMD for fabricating the structure with an arbitrary surface profile.

  3. Calculation of the surface potential and surface charge density by measurement of the three-phase contact angle.

    Science.gov (United States)

    Horiuchi, H; Nikolov, A; Wasan, D T

    2012-11-01

    The silica/silicon wafer is widely used in the semiconductor industry in the manufacture of electronic devices, so it is essential to understand its physical chemistry and determine the surface potential at the silica wafer/water interface. However, it is difficult to measure the surface potential of a silica/silicon wafer directly due to its high electric resistance. In the present study, the three-phase contact angle (TPCA) on silica is measured as a function of the pH. The surface potential and surface charge density at the silica/water surface are calculated by a model based on the Young-Lippmann equation in conjunction with the Gouy-Chapman model for the electric double layer. In measurements of the TPCA on silica, two distinct regions were identified with a boundary at pH 9.5-showing a dominance of the surface ionization of silanol groups below pH 9.5 and a dominance of the dissolution of silica into the aqueous solution above pH 9.5. Since the surface chemistry changes above pH 9.5, the model is applied to solutions below pH 9.5 (ionization dominant) for the calculation of the surface potential and surface charge density at the silica/aqueous interface. In order to evaluate the model, a galvanic mica cell was made of a mica sheet and the surface potential was measured directly at the mica/water interface. The model results are also validated by experimental data from the literature, as well as the results obtained by the potentiometric titration method and the electro-kinetic measurements. Copyright © 2012 Elsevier Inc. All rights reserved.

  4. Oxathiiranes 8 On the OCS2 Singlet Potential Energy Surface

    DEFF Research Database (Denmark)

    Carlsen, Lars

    1982-01-01

    as the fragmentations of the possible intermediates 1–5 have been studied theoretically within the semiempirical cndo/B framework as conceivable ground-state reactions. On the basis of mo correlations and potential energy changes along the reaction paths, supplementary with previously reported experimental data...

  5. Calculation of surface potentials at the silica-water interface using molecular dynamics: Challenges and opportunities

    Science.gov (United States)

    Lowe, Benjamin M.; Skylaris, Chris-Kriton; Green, Nicolas G.; Shibuta, Yasushi; Sakata, Toshiya

    2018-04-01

    Continuum-based methods are important in calculating electrostatic properties of interfacial systems such as the electric field and surface potential but are incapable of providing sufficient insight into a range of fundamentally and technologically important phenomena which occur at atomistic length-scales. In this work a molecular dynamics methodology is presented for interfacial electric field and potential calculations. The silica-water interface was chosen as an example system, which is highly relevant for understanding the response of field-effect transistors sensors (FET sensors). Detailed validation work is presented, followed by the simulated surface charge/surface potential relationship. This showed good agreement with experiment at low surface charge density but at high surface charge density the results highlighted challenges presented by an atomistic definition of the surface potential. This methodology will be used to investigate the effect of surface morphology and biomolecule addition; both factors which are challenging using conventional continuum models.

  6. An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH3

    Science.gov (United States)

    Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J.

    2008-12-01

    A global potential energy surface (PES) that includes short and long range terms has been determined for the NH3 molecule. The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations and the internally contracted averaged coupled-pair functional electronic structure methods have been used in conjunction with very large correlation-consistent basis sets, including diffuse functions. Extrapolation to the one-particle basis set limit was performed and core correlation and scalar relativistic contributions were included directly, while the diagonal Born-Oppenheimer correction was added. Our best purely ab initio PES, denoted "mixed," is constructed from two PESs which differ in whether the ic-ACPF higher-order correlation correction was added or not. Rovibrational transition energies computed from the mixed PES agree well with experiment and the best previous theoretical studies, but most importantly the quality does not deteriorate even up to 10300cm-1 above the zero-point energy (ZPE). The mixed PES was improved further by empirical refinement using the most reliable J =0-2 rovibrational transitions in the HITRAN 2004 database. Agreement between high-resolution experiment and rovibrational transition energies computed from our refined PES for J =0-6 is excellent. Indeed, the root mean square (rms) error for 13 HITRAN 2004 bands for J =0-2 is 0.023cm-1 and that for each band is always ⩽0.06cm-1. For J =3-5 the rms error is always ⩽0.15cm-1. This agreement means that transition energies computed with our refined PES should be useful in the assignment of new high-resolution NH3 spectra and in correcting mistakes in previous assignments. Ideas for further improvements to our refined PES and for extension to other isotopolog are discussed.

  7. Analytical Modeling of Potential Distribution and Threshold Voltage of Gate Underlap DG MOSFETs with a Source/Drain Lateral Gaussian Doping Profile

    Science.gov (United States)

    Singh, Kunal; Kumar, Mirgender; Goel, Ekta; Singh, Balraj; Dubey, Sarvesh; Kumar, Sanjay; Jit, Satyabrata

    2016-04-01

    This paper reports a new two-dimensional (2D) analytical model for the potential distribution and threshold voltage of the short-channel symmetric gate underlap ultrathin DG MOSFETs with a lateral Gaussian doping profile in the source (S)/drain (D) region. The parabolic approximation and conformal mapping techniques have been explored for solving the 2D Poisson's equation to obtain the channel potential function of the device. The effects of straggle parameter (of the lateral Gaussian doping profile in the S/D region), underlap length, gate length, channel thickness and oxide thickness on the surface potential and threshold voltage have been investigated. The loss of switching speed due to the drain-induced barrier lowering (DIBL) has also been reported. The proposed model results have been validated by comparing them with their corresponding TCAD simulation data obtained by using the commercially available 2D ATLAS™ simulation software.

  8. OCT-based profiler for automating ocular surface prosthetic fitting (Conference Presentation)

    Science.gov (United States)

    Mujat, Mircea; Patel, Ankit H.; Maguluri, Gopi N.; Iftimia, Nicusor V.; Patel, Chirag; Agranat, Josh; Tomashevskaya, Olga; Bonte, Eugene; Ferguson, R. Daniel

    2016-03-01

    The use of a Prosthetic Replacement of the Ocular Surface Environment (PROSE) device is a revolutionary treatment for military patients that have lost their eyelids due to 3rd degree facial burns and for civilians who suffer from a host of corneal diseases. However, custom manual fitting is often a protracted painful, inexact process that requires multiple fitting sessions. Training for new practitioners is a long process. Automated methods to measure the complete corneal and scleral topology would provide a valuable tool for both clinicians and PROSE device manufacturers and would help streamline the fitting process. PSI has developed an ocular anterior-segment profiler based on Optical Coherence Tomography (OCT), which provides a 3D measure of the surface of the sclera and cornea. This device will provide topography data that will be used to expedite and improve the fabrication process for PROSE devices. OCT has been used to image portions of the cornea and sclera and to measure surface topology for smaller contact lenses [1-3]. However, current state-of-the-art anterior eye OCT systems can only scan about 16 mm of the eye's anterior surface, which is not sufficient for covering the sclera around the cornea. In addition, there is no systematic method for scanning and aligning/stitching the full scleral/corneal surface and commercial segmentation software is not optimized for the PROSE application. Although preliminary, our results demonstrate the capability of PSI's approach to generate accurate surface plots over relatively large areas of the eye, which is not currently possible with any other existing platform. Testing the technology on human volunteers is currently underway at Boston Foundation for Sight.

  9. Erosive potential of energy drinks on the dentine surface.

    Science.gov (United States)

    Pinto, Shelon C S; Bandeca, Matheus C; Silva, Carolina N; Cavassim, Rodrigo; Borges, Alvaro H; Sampaio, José E C

    2013-02-19

    Considering the current high consumption of energy drinks, the aim of the present study is to evaluate the influence of energy drinks in removing the smear layer and exposing dentinal tubules on root surface. Dentine root surfaces were exposed using a diamond bur. Forty movements of scaling were performed in the area prepared in order to create a smear layer. One hundred and thirty specimens were obtained from 35 teeth. Specimens were randomly distributed into 12 groups (n = 10) and divided into subgroups according to the application: topical (n = 5) and friction (n = 5). Twelve energy drinks were evaluated: RedBull, Burn, TNT, Flash Power, Flying Horse, Sports Drink, Ionic, Hot Power, Army Power, Gladiator and Bug. Distilled water was used as a control group. The specimens were analysed by scanning electron microscopy. Topical application: a significant influence of energy drinks on smear layer removal was found for FlyingHorse and Bug when compared with the control group. Friction application: significant smear layer removal was found for Burn, FlyingHorse, Gladiator, SportsDrinks, when compared with the control group. Comparing the different application forms, a statistically significant difference was found for Army Power. Considering the significant smear layer removal, energy drinks can be an important etiological factor for cervical dentine hypersensitivity.

  10. Influence of surface conductivity on the apparent zeta potential of calcite.

    Science.gov (United States)

    Li, Shuai; Leroy, Philippe; Heberling, Frank; Devau, Nicolas; Jougnot, Damien; Chiaberge, Christophe

    2016-04-15

    Zeta potential is a physicochemical parameter of particular importance in describing the surface electrical properties of charged porous media. However, the zeta potential of calcite is still poorly known because of the difficulty to interpret streaming potential experiments. The Helmholtz-Smoluchowski (HS) equation is widely used to estimate the apparent zeta potential from these experiments. However, this equation neglects the influence of surface conductivity on streaming potential. We present streaming potential and electrical conductivity measurements on a calcite powder in contact with an aqueous NaCl electrolyte. Our streaming potential model corrects the apparent zeta potential of calcite by accounting for the influence of surface conductivity and flow regime. We show that the HS equation seriously underestimates the zeta potential of calcite, particularly when the electrolyte is diluted (ionic strength ⩽ 0.01 M) because of calcite surface conductivity. The basic Stern model successfully predicted the corrected zeta potential by assuming that the zeta potential is located at the outer Helmholtz plane, i.e. without considering a stagnant diffuse layer at the calcite-water interface. The surface conductivity of calcite crystals was inferred from electrical conductivity measurements and computed using our basic Stern model. Surface conductivity was also successfully predicted by our surface complexation model. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. Potential surface for the collinear collision of Ne and H/sub 2//sup +/. [eendoergicity, surface parametrization

    Energy Technology Data Exchange (ETDEWEB)

    Hayes, E.F.; Siu, A.K.Q.; Chapman, F.M. Jr.; Matcha, R.L.

    1976-09-01

    A potential energy surface for the Ne--H/sub 2//sup +/ reaction has been obtained in the LCAO--MO--SCF approximation. Analysis of the surface indicates that the reaction Ne+H/sub 2//sup +/..-->..NeH/sup +/+H should proceed with an endoergicity of 12 kcal/mole, in agreement with the experimental results of Chupka and Russell. Several procedures for parameterizing a diatomics-in-molecules (DIM) representation of the NeH/sub 2//sup +/ surface are considered. The results show that an accurate representation of the SCF surface can be obtained from the DIM model using a minimum of diatomic and triatomic data. (AIP)

  12. On the effectiveness of surface assimilation in probabilistic nowcasts of planetary boundary layer profiles

    Science.gov (United States)

    Rostkier-Edelstein, Dorita; Hacker, Joshua

    2013-04-01

    Surface observations comprise a wide, non-expensive and reliable source of information about the state of the near-surface planetary boundary layer (PBL). Operational data assimilation systems have encountered several difficulties in effectively assimilating them, among others due to their local-scale representativeness, the transient coupling between the surface and the atmosphere aloft and the balance constraints usually used. A long-term goal of this work is to find an efficient system for probabilistic PBL nowcasting that can be employed wherever surface observations are present. Earlier work showed that surface observations can be an important source of information with a single column model (SCM) and an ensemble filter (EF). Here we extend that work to quantify the probabilistic skill of ensemble SCM predictions with a model including added complexity. We adopt a factor separation analysis to quantify the contribution of surface assimilation relative to that of selected model components (parameterized radiation and externally imposed horizontal advection) to the probabilistic skill of the system, and of any beneficial or detrimental interactions between them. To assess the real utility of the flow-dependent covariances estimated with the EF and of the SCM of the PBL we compare the skill of the SCM/EF system to that of a reference one based on climatological covariances and a 30-min persistence model. It consists of a dressing technique, whereby a deterministic 3D mesoscale forecast (e.g. from WRF model) is adjusted and dressed with uncertainty using a seasonal sample of mesoscale forecasts and surface forecast errors. Results show that assimilation of surface observations can improve deterministic and probabilistic profile predictions more significantly than major model improvements. Flow-dependent covariances estimated with the SCM/EF show clear advantage over the use of climatological covariances when the flow is characterized by wide variability, when

  13. 3D Surface Profile and Color Stability of Tooth Colored Filling Materials after Bleaching

    Directory of Open Access Journals (Sweden)

    Bryant Anthony Irawan

    2015-01-01

    Full Text Available This study aims to evaluate the effects of vital tooth bleaching with carbamide peroxide home bleaching and in-office bleaching on the color stability and 3D surface profile of dental restorative filling materials. Thirty discs (n=30 measure 6 mm in diameter and 2 mm thick for each of three restorative materials. These are nanofilled composite Filtek Z350 XT, the submicron composite Estelite Σ Quick, and nanofilled glass ionomer Ketac N100 nanoionomer and were fabricated in shade A2. Each group was further divided into three subgroups (n=10: subgroup A (Opalescence PF, subgroup B (Opalescence Boost in-office bleaching, and subgroup C (distilled water serving as control. Samples were bleached according to the manufacturer’s instructions for a period of two weeks. The Commission Internationale de L’Eclairage (CIE L*, a*, b* system was chosen for image processing, while 3D surface profile was tested with atomic force microscopy (AFM. Statistical analyses were performed with the Mann-Whitney tests and Krusal-Wallis with a P value of ≤0.05. The three restorative materials showed significant color changes (ΔE; P≤0.05. In diminishing order, the mean color changes recorded were Estelite Σ (3.82 ± 1.6 > Ketac Nano (2.97 ± 1.2 > Filtek Z350 XT (2.25 ± 1.0. However, none of the tested materials showed statistically significant changes in surface roughness; P>0.05.

  14. Molecular Expression Profile Reveals Potential Biomarkers and Therapeutic Targets in Canine Endometrial Lesions.

    Science.gov (United States)

    Voorwald, Fabiana Azevedo; Marchi, Fabio Albuquerque; Villacis, Rolando Andre Rios; Alves, Carlos Eduardo Fonseca; Toniollo, Gilson Hélio; Amorim, Renee Laufer; Drigo, Sandra Aparecida; Rogatto, Silvia Regina

    2015-01-01

    Cystic endometrial hyperplasia (CEH), mucometra, and pyometra are common uterine diseases in intact dogs, with pyometra being a life threatening disease. This study aimed to determine the gene expression profile of these lesions and potential biomarkers for closed-cervix pyometra, the most severe condition. Total RNA was extracted from 69 fresh endometrium samples collected from 21 healthy female dogs during diestrus, 16 CEH, 15 mucometra and 17 pyometra (eight open and nine closed-cervixes). Global gene expression was detected using the Affymetrix Canine Gene 1.0 ST Array. Unsupervised analysis revealed two clusters, one mainly composed of diestrus and CEH samples and the other by 12/15 mucometra and all pyometra samples. When comparing pyometra with other groups, 189 differentially expressed genes were detected. SLPI, PTGS2/COX2, MMP1, S100A8, S100A9 and IL8 were among the top up-regulated genes detected in pyometra, further confirmed by external expression data. Notably, a particular molecular profile in pyometra from animals previously treated with exogenous progesterone compounds was observed in comparison with pyometra from untreated dogs as well as with other groups irrespective of exogenous hormone treatment status. In addition to S100A8 and S100A9 genes, overexpression of the inflammatory cytokines IL1B, TNF and IL6 as well as LTF were detected in the pyometra from treated animals. Interestingly, closed pyometra was more frequently detected in treated dogs (64% versus 33%), with IL1B, TNF, LBP and CXCL10 among the most relevant overexpressed genes. This molecular signature associated with potential biomarkers and therapeutic targets, such as CXCL10 and COX2, should guide future clinical studies. Based on the gene expression profile we suggested that pyometra from progesterone treated dogs is a distinct molecular entity.

  15. Molecular Expression Profile Reveals Potential Biomarkers and Therapeutic Targets in Canine Endometrial Lesions.

    Directory of Open Access Journals (Sweden)

    Fabiana Azevedo Voorwald

    Full Text Available Cystic endometrial hyperplasia (CEH, mucometra, and pyometra are common uterine diseases in intact dogs, with pyometra being a life threatening disease. This study aimed to determine the gene expression profile of these lesions and potential biomarkers for closed-cervix pyometra, the most severe condition. Total RNA was extracted from 69 fresh endometrium samples collected from 21 healthy female dogs during diestrus, 16 CEH, 15 mucometra and 17 pyometra (eight open and nine closed-cervixes. Global gene expression was detected using the Affymetrix Canine Gene 1.0 ST Array. Unsupervised analysis revealed two clusters, one mainly composed of diestrus and CEH samples and the other by 12/15 mucometra and all pyometra samples. When comparing pyometra with other groups, 189 differentially expressed genes were detected. SLPI, PTGS2/COX2, MMP1, S100A8, S100A9 and IL8 were among the top up-regulated genes detected in pyometra, further confirmed by external expression data. Notably, a particular molecular profile in pyometra from animals previously treated with exogenous progesterone compounds was observed in comparison with pyometra from untreated dogs as well as with other groups irrespective of exogenous hormone treatment status. In addition to S100A8 and S100A9 genes, overexpression of the inflammatory cytokines IL1B, TNF and IL6 as well as LTF were detected in the pyometra from treated animals. Interestingly, closed pyometra was more frequently detected in treated dogs (64% versus 33%, with IL1B, TNF, LBP and CXCL10 among the most relevant overexpressed genes. This molecular signature associated with potential biomarkers and therapeutic targets, such as CXCL10 and COX2, should guide future clinical studies. Based on the gene expression profile we suggested that pyometra from progesterone treated dogs is a distinct molecular entity.

  16. Research on improved design of airfoil profiles based on the continuity of airfoil surface curvature of wind turbines

    DEFF Research Database (Denmark)

    Chen, Jin; Cheng, Jiangtao; Shen, Wenzhong

    2013-01-01

    Aerodynamic of airfoil performance is closely related to the continuity of its surface curvature, and airfoil profiles with a better aerodynamic performance plays an important role in the design of wind turbine. The surface curvature distribution along the chord direction and pressure distributio...

  17. Mutational Profiling of Malignant Mesothelioma Revealed Potential Therapeutic Targets in EGFR and NRAS

    Directory of Open Access Journals (Sweden)

    Jeong Eun Kim

    2018-04-01

    Full Text Available Pemetrexed and platinum (PP combination chemotherapy is the current standard first-line therapy for treatment of malignant mesothelioma (MM. However, a useful predictive biomarker for PP therapy is yet to be found. Here, we performed targeted exome sequencing to profile somatic mutations and copy number variations in 12 MM patients treated with PP therapy. We identified 187 somatic mutations in 12 patients (65 synonymous, 102 missense, 2 nonsense, 5 splice site, and 13 small coding insertions/deletions. We identified somatic mutations in 23 genes including BAP1, TP53, NRAS, and EGFR. Interestingly, rare NRAS p.Q61K and EGFR exon 19 deletions were observed in 2 patients. We also found somatic chromosomal copy number deletions in CDKN2A and CDKN2B genes. Genetic alteration related to response after PP therapy was not found. Somatic mutation profiling in MM patients receiving PP therapy revealed genetic alterations in potential therapeutic targets such as NRAS and EGFR. No alterations in genes with potential predictive role for PP therapy were found.

  18. Mutational Profiling of Malignant Mesothelioma Revealed Potential Therapeutic Targets in EGFR and NRAS.

    Science.gov (United States)

    Kim, Jeong Eun; Kim, Deokhoon; Hong, Yong Sang; Kim, Kyu-Pyo; Yoon, Young Kwang; Lee, Dae Ho; Kim, Sang-We; Chun, Sung-Min; Jang, Se Jin; Kim, Tae Won

    2018-04-01

    Pemetrexed and platinum (PP) combination chemotherapy is the current standard first-line therapy for treatment of malignant mesothelioma (MM). However, a useful predictive biomarker for PP therapy is yet to be found. Here, we performed targeted exome sequencing to profile somatic mutations and copy number variations in 12 MM patients treated with PP therapy. We identified 187 somatic mutations in 12 patients (65 synonymous, 102 missense, 2 nonsense, 5 splice site, and 13 small coding insertions/deletions). We identified somatic mutations in 23 genes including BAP1, TP53, NRAS, and EGFR. Interestingly, rare NRAS p.Q61K and EGFR exon 19 deletions were observed in 2 patients. We also found somatic chromosomal copy number deletions in CDKN2A and CDKN2B genes. Genetic alteration related to response after PP therapy was not found. Somatic mutation profiling in MM patients receiving PP therapy revealed genetic alterations in potential therapeutic targets such as NRAS and EGFR. No alterations in genes with potential predictive role for PP therapy were found. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.

  19. Electrohydrodynamics of binary electrolytes driven by modulated surface potentials

    DEFF Research Database (Denmark)

    Mortensen, Asger; Olesen, Laurits Højgaard; Belmon, L.

    2005-01-01

    We study the electrohydrodynamics of the Debye screening layer that arises in an aqueous binary solution near a planar insulating wall when applying a spatially modulated ac voltage. Combining this with first order perturbation theory we establish the governing equations for the full nonequilibrium...... problem and obtain analytic solutions in the bulk for the pressure and velocity fields of the electrolyte and for the electric potential. We find good agreement between the numerics of the full problem and the analytics of the linear theory. Our work provides the theoretical foundations of circuit models...

  20. Intermolecular potential energy surface and thermophysical properties of ethylene oxide

    International Nuclear Information System (INIS)

    Crusius, Johann-Philipp; Hassel, Egon; Hellmann, Robert; Bich, Eckard

    2014-01-01

    A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C 2 H 4 O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide

  1. Intermolecular potential energy surface and thermophysical properties of ethylene oxide

    Energy Technology Data Exchange (ETDEWEB)

    Crusius, Johann-Philipp, E-mail: johann-philipp.crusius@uni-rostock.de; Hassel, Egon [Lehrstuhl für Technische Thermodynamik, Universität Rostock, 18059 Rostock (Germany); Hellmann, Robert; Bich, Eckard [Institut für Chemie, Universität Rostock, 18059 Rostock (Germany)

    2014-10-28

    A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C{sub 2}H{sub 4}O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide.

  2. Water surface temperature profiles for the Rhine River derived from Landsat ETM+ data

    Science.gov (United States)

    Fricke, Katharina; Baschek, Björn

    2013-10-01

    Water temperature influences physical and chemical parameters of rivers and streams and is an important parameter for water quality. It is a crucial factor for the existence and the growth of animal and plant species in the river ecosystem. The aim of the research project "Remote sensing of water surface temperature" at the Federal Institute of Hydrology (BfG), Germany, is to supplement point measurements of water temperature with remote sensing methodology. The research area investigated here is the Upper and Middle Rhine River, where continuous measurements of water temperature are already available for several water quality monitoring stations. Satellite imagery is used to complement these point measurements and to generate longitudinal temperature profiles for a better systematic understanding of the changes in river temperature along its course. Several products for sea surface temperature derived from radiances in the thermal infrared are available, but for water temperature from rivers less research has been carried out. Problems arise from the characteristics of the river valley and morphology and the proximity to the riverbank. Depending on the river width, a certain spatial resolution of the satellite images is necessary to allow for an accurate identification of the river surface and the calculation of water temperature. The bands from the Landsat ETM+ sensor in the thermal infrared region offer a possibility to extract the river surface temperatures (RST) of a sufficiently wide river such as the Rhine. Additionally, problems such as cloud cover, shadowing effects, georeferencing errors, different emissivity of water and land, scattering of thermal radiation, adjacency and mixed pixel effects had to be accounted for and their effects on the radiance temperatures will be discussed. For this purpose, several temperature data sets derived from radiance and in situ measurements were com- pared. The observed radiance temperatures are strongly influenced by

  3. Ab Initio and DFT Potential Energy Surfaces for Cyanuric Chloride Reactions

    National Research Council Canada - National Science Library

    Pai, Sharmila

    1998-01-01

    ... on the potential energy surface were calculated using the 6-31G and 6-311 +Gbasis sets. DFT(B3LYP) geometry optimizations and zero-point corrections for critical points on the potential energy surface were calculated with the 6-31G, 6-311...

  4. 3D Printed Potential and Free Energy Surfaces for Teaching Fundamental Concepts in Physical Chemistry

    Science.gov (United States)

    Kaliakin, Danil S.; Zaari, Ryan R.; Varganov, Sergey A.

    2015-01-01

    Teaching fundamental physical chemistry concepts such as the potential energy surface, transition state, and reaction path is a challenging task. The traditionally used oversimplified 2D representation of potential and free energy surfaces makes this task even more difficult and often confuses students. We show how this 2D representation can be…

  5. Characterization of electrical conductivity of carbon fiber reinforced plastic using surface potential distribution

    Science.gov (United States)

    Kikunaga, Kazuya; Terasaki, Nao

    2018-04-01

    A new method of evaluating electrical conductivity in a structural material such as carbon fiber reinforced plastic (CFRP) using surface potential is proposed. After the CFRP was charged by corona discharge, the surface potential distribution was measured by scanning a vibrating linear array sensor along the object surface with a high spatial resolution over a short duration. A correlation between the weave pattern of the CFRP and the surface potential distribution was observed. This result indicates that it is possible to evaluate the electrical conductivity of a material comprising conducting and insulating regions.

  6. Prediction of hydrocarbon surface seepage potential using infiltrometer data

    Science.gov (United States)

    Connors, J. J.; Jackson, J. L.; Engle, R. A.; Connors, J. L.

    2017-12-01

    Environmental regulations addressing above-ground storage tank (AST) spill control activities typically require owners/operators to demonstrate that local soil permeability values are low enough to adequately contain released liquids while emergency-response procedures are conducted. Frequently, geotechnical borings and soil samples/analyses, and/or monitoring well slug-test analyses, are used to provide hydraulic conductivity data for the required calculations. While these techniques are useful in assessing hydrological characteristics of the subsurface, they do not always assess the uppermost surface soil layer, where the bulk of the containment can occur. This layer may have been subject to long-term permeability-reduction by activities such as compaction by vehicular and foot traffic, micro-coatings by hydrophobic pollutants, etc. This presentation explores the usefulness of dual-ring infiltrometers, both in field and bench-scale tests, to rapidly acquire actual hydraulic conductivity values of surficial soil layers, which can be much lower than subsurface values determined using more traditional downhole geotechnical and hydrogeological approaches.

  7. Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface.

    Science.gov (United States)

    Zhou, Xueyao; Nattino, Francesco; Zhang, Yaolong; Chen, Jun; Kroes, Geert-Jan; Guo, Hua; Jiang, Bin

    2017-11-22

    A fifteen-dimensional global potential energy surface for the dissociative chemisorption of methane on the rigid Ni(111) surface is developed by a high fidelity fit of ∼200 000 DFT energy points computed using a specific reaction parameter density functional designed to reproduce experimental data. The permutation symmetry and surface periodicity are rigorously enforced using the permutation invariant polynomial-neural network approach. The fitting accuracy of the potential energy surface is thoroughly investigated by examining both static and dynamical attributes of CHD 3 dissociation on the frozen surface. This potential energy surface is expected to be chemically accurate as after correction for surface temperature effects it reproduces the measured initial sticking probabilities of CHD 3 on Ni(111) for various incidence conditions.

  8. Gene expression profiling reveals new potential players of gonad differentiation in the chicken embryo.

    Directory of Open Access Journals (Sweden)

    Gwenn-Aël Carré

    Full Text Available BACKGROUND: In birds as in mammals, a genetic switch determines whether the undifferentiated gonad develops into an ovary or a testis. However, understanding of the molecular pathway(s involved in gonad differentiation is still incomplete. METHODOLOGY/PRINCIPAL FINDINGS: With the aim of improving characterization of the molecular pathway(s involved in gonad differentiation in the chicken embryo, we developed a large scale real time reverse transcription polymerase chain reaction approach on 110 selected genes for evaluation of their expression profiles during chicken gonad differentiation between days 5.5 and 19 of incubation. Hierarchical clustering analysis of the resulting datasets discriminated gene clusters expressed preferentially in the ovary or the testis, and/or at early or later periods of embryonic gonad development. Fitting a linear model and testing the comparisons of interest allowed the identification of new potential actors of gonad differentiation, such as Z-linked ADAMTS12, LOC427192 (corresponding to NIM1 protein and CFC1, that are upregulated in the developing testis, and BMP3 and Z-linked ADAMTSL1, that are preferentially expressed in the developing ovary. Interestingly, the expression patterns of several members of the transforming growth factor β family were sexually dimorphic, with inhibin subunits upregulated in the testis, and bone morphogenetic protein subfamily members including BMP2, BMP3, BMP4 and BMP7, upregulated in the ovary. This study also highlighted several genes displaying asymmetric expression profiles such as GREM1 and BMP3 that are potentially involved in different aspects of gonad left-right asymmetry. CONCLUSION/SIGNIFICANCE: This study supports the overall conservation of vertebrate sex differentiation pathways but also reveals some particular feature of gene expression patterns during gonad development in the chicken. In particular, our study revealed new candidate genes which may be potential actors

  9. Gene Expression Profiling Reveals New Potential Players of Gonad Differentiation in the Chicken Embryo

    Science.gov (United States)

    Carré, Gwenn-Aël; Couty, Isabelle; Hennequet-Antier, Christelle; Govoroun, Marina S.

    2011-01-01

    Background In birds as in mammals, a genetic switch determines whether the undifferentiated gonad develops into an ovary or a testis. However, understanding of the molecular pathway(s) involved in gonad differentiation is still incomplete. Methodology/Principal Findings With the aim of improving characterization of the molecular pathway(s) involved in gonad differentiation in the chicken embryo, we developed a large scale real time reverse transcription polymerase chain reaction approach on 110 selected genes for evaluation of their expression profiles during chicken gonad differentiation between days 5.5 and 19 of incubation. Hierarchical clustering analysis of the resulting datasets discriminated gene clusters expressed preferentially in the ovary or the testis, and/or at early or later periods of embryonic gonad development. Fitting a linear model and testing the comparisons of interest allowed the identification of new potential actors of gonad differentiation, such as Z-linked ADAMTS12, LOC427192 (corresponding to NIM1 protein) and CFC1, that are upregulated in the developing testis, and BMP3 and Z-linked ADAMTSL1, that are preferentially expressed in the developing ovary. Interestingly, the expression patterns of several members of the transforming growth factor β family were sexually dimorphic, with inhibin subunits upregulated in the testis, and bone morphogenetic protein subfamily members including BMP2, BMP3, BMP4 and BMP7, upregulated in the ovary. This study also highlighted several genes displaying asymmetric expression profiles such as GREM1 and BMP3 that are potentially involved in different aspects of gonad left-right asymmetry. Conclusion/Significance This study supports the overall conservation of vertebrate sex differentiation pathways but also reveals some particular feature of gene expression patterns during gonad development in the chicken. In particular, our study revealed new candidate genes which may be potential actors of chicken gonad

  10. Analysis of Mass Profiles and Cooling Flows of Bright, Early-Type Galaxies AO2, AO3 and Surface Brightness Profiles and Energetics of Intracluster Gas in Cool Galaxy Clusters AO3

    Science.gov (United States)

    White, Raymond E., III

    1998-01-01

    This final report uses ROSAT observations to analyze two different studies. These studies are: Analysis of Mass Profiles and Cooling Flows of Bright, Early-Type Galaxies; and Surface Brightness Profiles and Energetics of Intracluster Gas in Cool Galaxy Clusters.

  11. Detection of flaws on surface of civil infrastructures and their profiling using imaging system with laser displacement sensor

    Science.gov (United States)

    Giri, Paritosh; Kharkovsky, Sergey

    2016-04-01

    Civil infrastructures such as buildings, bridges, roads and pipelines are the integral part of people's lives and their failure can have large public safety and economic consequences. Early detection of flaws in civil infrastructures and their appropriate retrofitting will aid in preventing this failure. Flaws such as cracks and impact damages initially occur on the surface and propagate inside the materials causing further degradation. There is a need to develop systems that can detect these surface flaws. Developing a system with one sensing technique which can detect the flaws is a challenging task since infrastructures are made up of diverse materials such as concrete, metal, plastics, composite and timber that have different electrical and mechanical properties. It is also desired that non-plain surfaces with complex profiles can be interrogated and surface flaws can be detected. We have proposed an imaging system capable of interrogating structures with complex surface profiles for the purpose of detection and evaluation of surface flaws such as cracks and impact damages using laser displacement sensor (LDS). The developed system consists of LDS mounted on the scanner which is able to perform raster scan over the specimen under test. The reading of displacement from the sensor head to the laser spot on the surface of the test material is then used to generate images which can be used to detect the surface flaws. The proof of concept is given by testing specimens made of metal, concrete and plastics with complex surface profiles.

  12. From the chlorophyll a in the surface layer to its vertical profile: a Greenland Sea relationship for satellite applications

    Directory of Open Access Journals (Sweden)

    A. Cherkasheva

    2013-04-01

    Full Text Available Current estimates of global marine primary production range over a factor of two. Improving these estimates requires an accurate knowledge of the chlorophyll vertical profiles, since they are the basis for most primary production models. At high latitudes, the uncertainty in primary production estimates is larger than globally, because here phytoplankton absorption shows specific characteristics due to the low-light adaptation, and in situ data and ocean colour observations are scarce. To date, studies describing the typical chlorophyll profile based on the chlorophyll in the surface layer have not included the Arctic region, or, if it was included, the dependence of the profile shape on surface concentration was neglected. The goal of our study was to derive and describe the typical Greenland Sea chlorophyll profiles, categorized according to the chlorophyll concentration in the surface layer and further monthly resolved profiles. The Greenland Sea was chosen because it is known to be one of the most productive regions of the Arctic and is among the regions in the Arctic where most chlorophyll field data are available. Our database contained 1199 chlorophyll profiles from R/Vs Polarstern and Maria S. Merian cruises combined with data from the ARCSS-PP database (Arctic primary production in situ database for the years 1957–2010. The profiles were categorized according to their mean concentration in the surface layer, and then monthly median profiles within each category were calculated. The category with the surface layer chlorophyll (CHL exceeding 0.7 mg C m−3 showed values gradually decreasing from April to August. A similar seasonal pattern was observed when monthly profiles were averaged over all the surface CHL concentrations. The maxima of all chlorophyll profiles moved from the greater depths to the surface from spring to late summer respectively. The profiles with the smallest surface values always showed a subsurface chlorophyll

  13. Ab initio potential energy and dipole moment surfaces for CS2: determination of molecular vibrational energies.

    Science.gov (United States)

    Pradhan, Ekadashi; Carreón-Macedo, José-Luis; Cuervo, Javier E; Schröder, Markus; Brown, Alex

    2013-08-15

    The ground state potential energy and dipole moment surfaces for CS2 have been determined at the CASPT2/C:cc-pVTZ,S:aug-cc-pV(T+d)Z level of theory. The potential energy surface has been fit to a sum-of-products form using the neural network method with exponential neurons. A generic interface between neural network potential energy surface fitting and the Heidelberg MCTDH software package is demonstrated. The potential energy surface has also been fit using the potfit procedure in MCTDH. For fits to the low-energy regions of the potential, the neural network method requires fewer parameters than potfit to achieve high accuracy; global fits are comparable between the two methods. Using these potential energy surfaces, the vibrational energies have been computed for the four most abundant CS2 isotopomers. These results are compared to experimental and previous theoretical data. The current potential energy surfaces are shown to accurately reproduce the low-lying vibrational energies within a few wavenumbers. Hence, the potential energy and dipole moments surfaces will be useful for future study on the control of quantum dynamics in CS2.

  14. Antifungal susceptibility profiles of 1698 yeast reference strains revealing potential emerging human pathogens.

    Directory of Open Access Journals (Sweden)

    Marie Desnos-Ollivier

    Full Text Available New molecular identification techniques and the increased number of patients with various immune defects or underlying conditions lead to the emergence and/or the description of novel species of human and animal fungal opportunistic pathogens. Antifungal susceptibility provides important information for ecological, epidemiological and therapeutic issues. The aim of this study was to assess the potential risk of the various species based on their antifungal drug resistance, keeping in mind the methodological limitations. Antifungal susceptibility profiles to the five classes of antifungal drugs (polyens, azoles, echinocandins, allylamines and antimetabolites were determined for 1698 yeast reference strains belonging to 992 species (634 Ascomycetes and 358 Basidiomycetes. Interestingly, geometric mean minimum inhibitory concentrations (MICs of all antifungal drugs tested were significantly higher for Basidiomycetes compared to Ascomycetes (p<0.001. Twenty four strains belonging to 23 species of which 19 were Basidiomycetes seem to be intrinsically "resistant" to all drugs. Comparison of the antifungal susceptibility profiles of the 4240 clinical isolates and the 315 reference strains belonging to 53 shared species showed similar results. Even in the absence of demonstrated in vitro/in vivo correlation, knowing the in vitro susceptibility to systemic antifungal agents and the putative intrinsic resistance of yeast species present in the environment is important because they could become opportunistic pathogens.

  15. Phenolic profiles of nectar and honey of Quillaja saponaria Mol. (Quillajaceae as potential chemical markers

    Directory of Open Access Journals (Sweden)

    Gloria Montenegro

    2013-01-01

    Full Text Available Quillaja saponaria Mol. (Quillajaceae is one of the most important melliferous species in Chile, mainly as a source of monofloral honey. Honey made by A. mellifera presents biological activity against pathogens and antioxidant capacity associated with the presence of phenolic compounds deriving from the nectar, as a result of bee honey foraging. The aim of this study was to identify and quantify the phenolic compounds from the floral nectar of Q. saponaria and the honey made in apiaries in the central zone, and compare the composition of the chromatographic profiles of nectar and honey to known phenolic compounds. The results obtained by HPLC-DAD (high-performance liquid chromatography with diode-array detection showed a similar profile of phenolic compounds, in which gallic acid, myricetin, rutin, quercetin and naringenin were identified. The phenolic compounds detected could be used as a reference for future studies for determining potential chemical markers of this honey, complementing the present identification of honeys by determining their botanical origin. The identification of bioindicators of the floral origins for honey of this species could provide added value to honey commercialization by certifying the botanical origin of their chemical features and biological attributes.

  16. Phenolic profiles of nectar and honey of Quillaja saponaria Mol. (Quillajaceae) as potential chemical markers.

    Science.gov (United States)

    Montenegro, Gloria; Díaz-Forestier, Javiera; Fredes, Carolina; Rodríguez, Sharon

    2013-01-01

    Quillaja saponaria Mol. (Quillajaceae) is one of the most important melliferous species in Chile, mainly as a source of monofloral honey. Honey made by A. mellifera presents biological activity against pathogens and antioxidant capacity associated with the presence of phenolic compounds deriving from the nectar, as a result of bee honey foraging. The aim of this study was to identify and quantify the phenolic compounds from the floral nectar of Q. saponaria and the honey made in apiaries in the central zone, and compare the composition of the chromatographic profiles of nectar and honey to known phenolic compounds. The results obtained by HPLC-DAD (high-performance liquid chromatography with diode-array detection) showed a similar profile of phenolic compounds, in which gallic acid, myricetin, rutin, quercetin and naringenin were identified. The phenolic compounds detected could be used as a reference for future studies for determining potential chemical markers of this honey, complementing the present identification of honeys by determining their botanical origin. The identification of bioindicators of the floral origins for honey of this species could provide added value to honey commercialization by certifying the botanical origin of their chemical features and biological attributes.

  17. Ionic profile of honey as a potential indicator of botanical origin and global environmental pollution.

    Science.gov (United States)

    Fermo, Paola; Beretta, Giangiacomo; Maffei Facino, Roberto; Gelmini, Fabrizio; Piazzalunga, Andrea

    2013-07-01

    Aim of this study was to determine by Ion Chromatography ions (Na(+), Ca(++), Mg(++), NH4(+), Cl(-), Br(-), SO4(2-), NO3(-), PO4(3-)) in honeys (honeydew and floral nectar honeys) from different Italian Regions and from countries of the Western Balkan area. The compositional data were processed by multivariate analysis (PCA and HCA). Arboreal honeydew honeys from the Western Balkans had higher concentrations (from two to three times) of some environmental pollutants (Br(-), SO4(2-) and PO4(3-) contents), due to industrial and agricultural activities, than those from Italian regions. The cationic profiles were very similar in both groups. Multivariate analysis indicated a clear difference between nectar honeys and arboreal/honeydew honeys (recognition of the botanical origin). These findings point to the potential of ionic constituents of honey as indicators of environmental pollution, botanical origin and authenticity. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. Retrieving 4-dimensional atmospheric boundary layer structure from surface observations and profiles over a single station

    Energy Technology Data Exchange (ETDEWEB)

    Pu, Zhaoxia [Univ. of Utah, Salt Lake City, UT (United States)

    2015-10-06

    Most routine measurements from climate study facilities, such as the Department of Energy’s ARM SGP site, come from individual sites over a long period of time. While single-station data are very useful for many studies, it is challenging to obtain 3-dimensional spatial structures of atmospheric boundary layers that include prominent signatures of deep convection from these data. The principal objective of this project is to create realistic estimates of high-resolution (~ 1km × 1km horizontal grids) atmospheric boundary layer structure and the characteristics of precipitating convection. These characteristics include updraft and downdraft cumulus mass fluxes and cold pool properties over a region the size of a GCM grid column from analyses that assimilate surface mesonet observations of wind, temperature, and water vapor mixing ratio and available profiling data from single or multiple surface stations. The ultimate goal of the project is to enhance our understanding of the properties of mesoscale convective systems and also to improve their representation in analysis and numerical simulations. During the proposed period (09/15/2011–09/14/2014) and the no-cost extension period (09/15/2014–09/14/2015), significant accomplishments have been achieved relating to the stated goals. Efforts have been extended to various research and applications. Results have been published in professional journals and presented in related science team meetings and conferences. These are summarized in the report.

  19. Effects of flexoelectricity and surface elasticity on piezoelectric potential in a bent ZnO nanowire

    Science.gov (United States)

    Zhang, Shuangzhe; Yao, Haiyan; Fan, Wenliang; Hao, Yu; Wu, Xudong; Hou, Dongyuan

    2017-01-01

    In this work, a rapid model is established to study the effects of flexoelectricity and surface elasticity on the piezoelectric potential of a bent ZnO nanowire. Based on the piezoelectric theory and core-surface model, the distribution of piezoelectric potential of the ZnO nanowire is investigated. The analytical solution shows that the flexoelectricity and surface elasticity both significantly influence the piezoelectric potential. However, the effect of flexoelectricity is longitudinal dependent, which vanishes on the top side of nanowire, but only left surface elasticity effect on the potential. Simulation results show that the maximum value of potential on the top side of nanowire is about ± 220.5mV, of which result is lower compared to other theoretical models, but it should be more reasonable.

  20. Potential sputtering from a Si surface by very highly charged ion impact

    International Nuclear Information System (INIS)

    Tona, Masahide; Watanabe, Hirofumi; Takahashi, Satoshi; Nakamura, Nobuyuki; Yoshiyasu, Nobuo; Sakurai, Makoto; Yamada, Chikashi; Ohtani, Shunsuke

    2007-01-01

    We have observed radiation effect in collision of slow highly charged ions with the following target materials; a SiO 2 thin film, a Si(1 1 1)-(7 x 7) surface and a hydrogen terminated Si(1 1 1)-(1 x 1) surface. Secondary ion mass spectrometry and scanning tunneling microscopy revealed some features due to 'potential sputtering'; (a) strong dependence of secondary particle emission on the surface condition, (b) high yield of positive ion emission including cluster fragments and (c) creation of nanometer sized surface structure. The mechanism for the potential sputtering is briefly discussed, based on the 'Coulomb explosion' model

  1. Cardiac Body Surface Potentials in Rats with Experimental Pulmonary Hypertension during Ventricular Depolarization.

    Science.gov (United States)

    Suslonova, O V; Smirnova, S L; Roshchevskaya, I M

    2016-11-01

    The spatial and the amplitude-temporal parameters of cardiac body surface potentials were examined in female Wistar rats with experimental pulmonary hypertension during ventricular depolarization. The cardiac body surface potentials have been led from 64 subcutaneous electrodes evenly distributed across the chest surface prior to and 4 weeks after subcutaneous injection of a single dose of monocrotaline (60 mg/kg). Right ventricular hypertrophy and electrophysiological remodeling of the heart developed in rats with experimental pulmonary hypertension in 4 weeks after monocrotaline injection; these changes led to a significant increase in amplitude and temporal characteristics of the cardioelectric field on the body surface in comparison with the initial state.

  2. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering.

    Science.gov (United States)

    Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Såthe, Conny; Miedema, Piter S; Techert, Simone; Strocov, Vladimir N; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Föhlisch, Alexander

    2016-01-29

    Thermally driven chemistry as well as materials' functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.

  3. High-Throughput Carbon Substrate Profiling of Mycobacterium ulcerans Suggests Potential Environmental Reservoirs.

    Science.gov (United States)

    Zingue, Dezemon; Bouam, Amar; Militello, Muriel; Drancourt, Michel

    2017-01-01

    Mycobacterium ulcerans is a close derivative of Mycobacterium marinum and the agent of Buruli ulcer in some tropical countries. Epidemiological and environmental studies pointed towards stagnant water ecosystems as potential sources of M. ulcerans, yet the ultimate reservoirs remain elusive. We hypothesized that carbon substrate determination may help elucidating the spectrum of potential reservoirs. In a first step, high-throughput phenotype microarray Biolog was used to profile carbon substrates in one M. marinum and five M. ulcerans strains. A total of 131/190 (69%) carbon substrates were metabolized by at least one M. ulcerans strain, including 28/190 (15%) carbon substrates metabolized by all five M. ulcerans strains of which 21 substrates were also metabolized by M. marinum. In a second step, 131 carbon substrates were investigated, through a bibliographical search, for their known environmental sources including plants, fruits and vegetables, bacteria, algae, fungi, nematodes, mollusks, mammals, insects and the inanimate environment. This analysis yielded significant association of M. ulcerans with bacteria (p = 0.000), fungi (p = 0.001), algae (p = 0.003) and mollusks (p = 0.007). In a third step, the Medline database was cross-searched for bacteria, fungi, mollusks and algae as potential sources of carbon substrates metabolized by all tested M. ulcerans; it indicated that 57% of M. ulcerans substrates were associated with bacteria, 18% with alga, 11% with mollusks and 7% with fungi. This first report of high-throughput carbon substrate utilization by M. ulcerans would help designing media to isolate and grow this pathogen. Furthermore, the presented data suggest that potential M. ulcerans environmental reservoirs might be related to micro-habitats where bacteria, fungi, algae and mollusks are abundant. This should be followed by targeted investigations in Buruli ulcer endemic regions.

  4. Toe clearance and velocity profiles of young and elderly during walking on sloped surfaces

    Directory of Open Access Journals (Sweden)

    Begg Rezaul K

    2010-04-01

    Full Text Available Abstract Background Most falls in older adults are reported during locomotion and tripping has been identified as a major cause of falls. Challenging environments (e.g., walking on slopes are potential interventions for maintaining balance and gait skills. The aims of this study were: 1 to investigate whether or not distributions of two important gait variables [minimum toe clearance (MTC and foot velocity at MTC (VelMTC] and locomotor control strategies are altered during walking on sloped surfaces, and 2 if altered, are they maintained at two groups (young and elderly female groups. Methods MTC and VelMTC data during walking on a treadmill at sloped surfaces (+3°, 0° and -3° were analysed for 9 young (Y and 8 elderly (E female subjects. Results MTC distributions were found to be positively skewed whereas VelMTC distributions were negatively skewed for both groups on all slopes. Median MTC values increased (Y = 33%, E = 7% at negative slope but decreased (Y = 25%, E = 15% while walking on the positive slope surface compared to their MTC values at the flat surface (0°. Analysis of VelMTC distributions also indicated significantly (p th percentile (Q1 values in the elderly at all slopes. Conclusion The young displayed a strong positive correlation between MTC median changes and IQR (interquartile range changes due to walking on both slopes; however, such correlation was weak in the older adults suggesting differences in control strategies being employed to minimize the risk of tripping.

  5. Effect of remote sea surface temperature change on tropical cyclone potential intensity.

    Science.gov (United States)

    Vecchi, Gabriel A; Soden, Brian J

    2007-12-13

    The response of tropical cyclone activity to global warming is widely debated. It is often assumed that warmer sea surface temperatures provide a more favourable environment for the development and intensification of tropical cyclones, but cyclone genesis and intensity are also affected by the vertical thermodynamic properties of the atmosphere. Here we use climate models and observational reconstructions to explore the relationship between changes in sea surface temperature and tropical cyclone 'potential intensity'--a measure that provides an upper bound on cyclone intensity and can also reflect the likelihood of cyclone development. We find that changes in local sea surface temperature are inadequate for characterizing even the sign of changes in potential intensity, but that long-term changes in potential intensity are closely related to the regional structure of warming; regions that warm more than the tropical average are characterized by increased potential intensity, and vice versa. We use this relationship to reconstruct changes in potential intensity over the twentieth century from observational reconstructions of sea surface temperature. We find that, even though tropical Atlantic sea surface temperatures are currently at a historical high, Atlantic potential intensity probably peaked in the 1930s and 1950s, and recent values are near the historical average. Our results indicate that--per unit local sea surface temperature change--the response of tropical cyclone activity to natural climate variations, which tend to involve localized changes in sea surface temperature, may be larger than the response to the more uniform patterns of greenhouse-gas-induced warming.

  6. Influence of Tunisian Ficus carica fruit variability in phenolic profiles and in vitro radical scavenging potential

    Directory of Open Access Journals (Sweden)

    Emna Faleh

    2012-12-01

    Full Text Available Ficus carica L., Moraceae, is one of the first plants that were cultivated by humans, being the fruit an important crop worldwide for dry and fresh consumption. In this work, phenolics and antioxidant potential of dried fruits of seventeen Tunisian F. carica varieties, from green, red and black phenotypes, were assessed for the first time. HPLC-DAD analysis was performed. All samples presented a similar qualitative profile. The phenolics content ranged between 29.18 and 55.56 mg/kg (in black and red phenotypes, respectively and quercetin-3-O-rutinoside was always the major compound. The antioxidant potential against DPPH•, superoxide and nitric oxide radicals of three varieties representing each phenotype was checked. All samples exhibited activity against the first two radicals in a concentration-dependent way, "Bayoudi" variety being the most effective one (IC25 values of 10.32 and 2.89 µg/ mL, respectively. Nevertheless, only "Hammouri" variety presented some capacity to scavenge nitric oxide radical. Our results reveal nice perspectives for these typical fruits, as they present an interesting phenolic composition and good antiradical activity and may encourage their consumption for health protection.

  7. Cellulase Production Potentials of the Microbial Profile of Some Sugarcane Bagasse Dumping Sites in Ilorin, Nigeria

    Directory of Open Access Journals (Sweden)

    Kamoldeen Abiodun AJIJOLAKEWU

    2013-11-01

    Full Text Available This research work investigated cellulase production potentials of the microbial profile of three sugarcane bagasse dumping sites at Zango area, Ilorin, Nigeria. The microbial isolates were screened for cellulase production with a view to select the best organism for eventual cellulase production. Pour Plate method was used for the isolation and a total of thirteen (13 different organisms including both fungal and bacterial species were isolated and screened. Six (6 fungal isolates identified as Mucor racemosus, Aspergillus niger, Aspergillus flavus, Neurospora sitophilus, Penicillium oxalicum and Penicillium citrinum were isolated, while seven (7 different bacterial species isolated include Clostridium cellobioparum, Clostridium thermocellum,Bacillus subtilis, Bacillus pumillus, Lactobacillus spp, Pseudomonas flavescens and Serratia spp. Generally, bacterial isolates were more in abundance than fungal species. However; fungal isolates were constant and were isolated through the experimental period of three weeks. All the isolates showed cellulase production potential in varying degrees as reflected in the clearance zone around their colonies. Fungal isolates produced more cellulase than the bacterial isolates. Mucor racemosus had the highest clearance zone (75.0 mm among the fungal isolates while Clostridium cellobioparum (35.0 mm were the best producer among bacterial isolates. The least producer among fungal isolates, Penicillium citrinum (40.0 mm, is a little more than the bacterial cellulase producer (35.0 mm and is far greater than the least bacterium Serratia spp (14.0 mm.

  8. Emergent relation between surface vapor conductance and relative humidity profiles yields evaporation rates from weather data.

    Science.gov (United States)

    Salvucci, Guido D; Gentine, Pierre

    2013-04-16

    The ability to predict terrestrial evapotranspiration (E) is limited by the complexity of rate-limiting pathways as water moves through the soil, vegetation (roots, xylem, stomata), canopy air space, and the atmospheric boundary layer. The impossibility of specifying the numerous parameters required to model this process in full spatial detail has necessitated spatially upscaled models that depend on effective parameters such as the surface vapor conductance (C(surf)). C(surf) accounts for the biophysical and hydrological effects on diffusion through the soil and vegetation substrate. This approach, however, requires either site-specific calibration of C(surf) to measured E, or further parameterization based on metrics such as leaf area, senescence state, stomatal conductance, soil texture, soil moisture, and water table depth. Here, we show that this key, rate-limiting, parameter can be estimated from an emergent relationship between the diurnal cycle of the relative humidity profile and E. The relation is that the vertical variance of the relative humidity profile is less than would occur for increased or decreased evaporation rates, suggesting that land-atmosphere feedback processes minimize this variance. It is found to hold over a wide range of climate conditions (arid-humid) and limiting factors (soil moisture, leaf area, energy). With this relation, estimates of E and C(surf) can be obtained globally from widely available meteorological measurements, many of which have been archived since the early 1900s. In conjunction with precipitation and stream flow, long-term E estimates provide insights and empirical constraints on projected accelerations of the hydrologic cycle.

  9. Hot-electron-mediated desorption rates calculated from excited-state potential energy surfaces

    DEFF Research Database (Denmark)

    Olsen, Thomas; Gavnholt, Jeppe; Schiøtz, Jakob

    2009-01-01

    We present a model for desorption induced by (multiple) electronic transitions [DIET (DIMET)] based on potential energy surfaces calculated with the delta self-consistent field extension of density-functional theory. We calculate potential energy surfaces of CO and NO molecules adsorbed on various...... transition-metal surfaces and show that classical nuclear dynamics does not suffice for propagation in the excited state. We present a simple Hamiltonian describing the system with parameters obtained from the excited-state potential energy surface and show that this model can describe desorption dynamics...... in both the DIET and DIMET regimes and reproduce the power-law behavior observed experimentally. We observe that the internal stretch degree of freedom in the molecules is crucial for the energy transfer between the hot electrons and the molecule when the coupling to the surface is strong....

  10. Surface potential effects in low-energy current image diffraction patterns observed on the Al(001) surface

    International Nuclear Information System (INIS)

    Fine structure observed in high-resolution low-energy electron diffraction (LEED) measurements near the energy threshold for emergence of new beams has been attributed to surface barrier effects. Recently, the surface barrier has been suggested as the source of the fine structure observed in current image diffraction (CID) patterns obtained by rastering the primary beam across an Al(001) crystal surface at a constant energy. This suggestion was based on kinematic arguments which correlated the emergence angle for a new electron beam with the observed structure in the CID pattern. In this work, the angular dependence of the elastic component of the total crystal reflectivity is calculated at constant energy. The calculations are based on full dynamical theories such as used in LEED but incorporating different surface barrier models to account for the saturating image potential. The results are compared with the experimental CID results

  11. Mixed Potential Energy Surfaces of the Ultrafast Isomerization of Retinal in Bacteriorhodopsin

    OpenAIRE

    Prokhorenko Valentyn I.; Morizumi Takefumi; Halpin Alexei; Johnson Philip J. M.; Ernst Oliver P.; Dwayne Miller R. J.

    2013-01-01

    We observe, using electronic two-dimensional photon echo spectroscopy, that the cis and trans potential energy surfaces of the ultrafast isomerization of retinal in bacteriorhodopsin are mixed via the hydrogen out of plane (HOOP) mode.

  12. Mixed Potential Energy Surfaces of the Ultrafast Isomerization of Retinal in Bacteriorhodopsin

    Directory of Open Access Journals (Sweden)

    Prokhorenko Valentyn I.

    2013-03-01

    Full Text Available We observe, using electronic two-dimensional photon echo spectroscopy, that the cis and trans potential energy surfaces of the ultrafast isomerization of retinal in bacteriorhodopsin are mixed via the hydrogen out of plane (HOOP mode.

  13. Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces

    DEFF Research Database (Denmark)

    Hall, B.; Deumens, E.; Ohrn, Y.

    2014-01-01

    A perennial problem in quantum scattering calculations is accurate theoretical treatment of low energy collisions. We propose a method of extracting a folded, nonadiabatic, effective potential energy surface from electron nuclear dynamics (END) trajectories; we then perform nuclear wave packet...

  14. Measuring the Thickness and Potential Profiles of the Space-Charge Layer at Organic/Organic Interfaces under Illumination and in the Dark by Scanning Kelvin Probe Microscopy.

    Science.gov (United States)

    Rojas, Geoffrey A; Wu, Yanfei; Haugstad, Greg; Frisbie, C Daniel

    2016-03-09

    Scanning Kelvin probe microscopy was used to measure band-bending at the model donor/acceptor heterojunction poly(3-hexylthiophene) (P3HT)/fullerene (C60). Specifically, we measured the variation in the surface potential of C60 films with increasing thicknesses grown on P3HT to produce a surface potential profile normal to the substrate both in the dark and under illumination. The results confirm a space-charge carrier region with a thickness of 10 nm, consistent with previous observations. We discuss the possibility that the domain size in bulk heterojunction organic solar cells, which is comparable to the space-charge layer thickness, is actually partly responsible for less than expected electron/hole recombination rates.

  15. First Principle Calculation of Electronic, Optical Properties and Photocatalytic Potential of CuO Surfaces

    OpenAIRE

    Ahmad, Faozan

    2016-01-01

    We have performed DFT calculations of electronic structure, optical properties and photocatalytic potential of the low-index surfaces of CuO. Photocatalytic reaction on the surface of semiconductor requires the appropriate band edge of the semiconductor surface to drive redox reactions. The calculation begins with the electronic structure of bulk system; it aims to determine realistic input parameters and band gap prediction. CuO is an antiferromagnetic material with strong electronic correla...

  16. Periodontal Bioengineering: A Discourse in Surface Topographies, Progenitor Cells and Molecular Profiles

    Science.gov (United States)

    Dangaria, Smit J.

    2011-12-01

    Stem/progenitor cells are a population of cells capable of providing replacement cells for a given differentiated cell type. We have applied progenitor cell-based technologies to generate novel tissue-engineered implants that use biomimetic strategies with the ultimate goal of achieving full regeneration of lost periodontal tissues. Mesenchymal periodontal tissues such as cementum, alveolar bone (AB), and periodontal ligament (PDL) are neural crest-derived entities that emerge from the dental follicle (DF) at the onset of tooth root formation. Using a systems biology approach we have identified key differences between these periodontal progenitors on the basis of global gene expression profiles, gene cohort expression levels, and epigenetic modifications, in addition to differences in cellular morphologies. On an epigenetic level, DF progenitors featured high levels of the euchromatin marker H3K4me3, whereas PDL cells, AB osteoblasts, and cementoblasts contained high levels of the transcriptional repressor H3K9me3. Secondly, we have tested the influence of natural extracellular hydroxyapatite matrices on periodontal progenitor differentiation. Dimension and structure of extracellular matrix surfaces have powerful influences on cell shape, adhesion, and gene expression. Here we show that natural tooth root topographies induce integrin-mediated extracellular matrix signaling cascades in tandem with cell elongation and polarization to generate physiological periodontium-like tissues. In this study we replanted surface topography instructed periodontal ligament progenitors (PDLPs) into rat alveolar bone sockets for 8 and 16 weeks, resulting in complete attachment of tooth roots to the surrounding alveolar bone with a periodontal ligament fiber apparatus closely matching physiological controls along the entire root surface. Displacement studies and biochemical analyses confirmed that progenitor-based engineered periodontal tissues were similar to control teeth and

  17. Ion-step method for surface potential sensing of silicon nanowires

    NARCIS (Netherlands)

    Chen, S.; van Nieuwkasteele, Jan William; van den Berg, Albert; Eijkel, Jan C.T.

    2016-01-01

    This paper presents a novel stimulus-response method for surface potential sensing of silicon nanowire (Si NW) field-effect transistors. When an "ion-step" from low to high ionic strength is given as a stimulus to the gate oxide surface, an increase of double layer capacitance is therefore expected.

  18. The sand extraction potential of embedded land surface lowering in the Netherlands

    NARCIS (Netherlands)

    Meulen, M.J. van der; Kleine, M.P.E. de; Veldkamp, J.G.; Dubelaar, C.W.; Pietersen, H.S.

    2004-01-01

    In the Netherlands, mineral extraction by means of dredging or quarrying meets with considerable societal resistance. Land surface lowering prior to large land reconstruction projects may raise fewer objections. We have calculated the potential yields of sand and gravel from land surface lowering

  19. The sand extraction potential of embedded land surface lowering in the Netherlands

    NARCIS (Netherlands)

    Van der Meulen, M.J.; De Kleine, M.P.E.; Veldkamp, J.G.; Dubbelaar, C.W.; Pietersen, H.S.

    2004-01-01

    In the Netherlands, mineral extraction by means of dredging or quarrying meets with considerable societal resistance. Land surface lowering prior to large land reconstruction projects may raise fewer objections. We have calculated the potential yields of sand and gravel form land surface lowering

  20. Characterization of the surface of protein-adsorbed dental materials by wetting and streaming potential measurements

    NARCIS (Netherlands)

    Matsumura, H.; Kawasaki, K.; Okumura, N.; Kambara, M.; Norde, W.

    2003-01-01

    In this study we have elucidated the water-wettability and the electrokinetic surface potential of protein-covered dental materials. The proteins used here as typical proteins were human serum albumin and lysozyme from hen*s egg. The wettability (hydrophobicity/hydrophilicity) and the surface

  1. Characterization of the surface of protein-adsorbed dental materials by wetting and streaming potential measurements

    NARCIS (Netherlands)

    Matsumura, H; Kawasaki, K; Okumura, N; Kambara, M; Norde, W

    2003-01-01

    In this study we have elucidated the water-wettability and the electrokinetic surface potential of protein-covered dental materials. The proteins used here as typical proteins were human serum albumin and lysozyme from hen's egg. The wettability (hydrophobicity/hydrophilicity) and the surface

  2. Hydrophobicity, surface tension, and zeta potential measurements of glass-reinforced hydroxyapatite composites.

    Science.gov (United States)

    Lopes, M A; Monteiro, F J; Santos, J D; Serro, A P; Saramago, B

    1999-06-15

    Wettability and zeta potential studies were performed to characterize the hydrophobicity, surface tension, and surface charge of P2O5-glass-reinforced hydroxyapatite composites. Quantitative phase analysis was performed by the Rietveld method using GSAS software applied to X-ray diffractograms. Surface charge was assessed by zeta potential measurements. Protein adsorption studies were performed using vitronectin. Contact angles and surface tensions variation with time were determined by the sessile and pendent drop techniques, respectively, using ADSA-P software. The highest (-18.1 mV) and lowest (-28.7 mV) values of zeta potential were found for hydroxyapatite (HA) and beta-tricalcium phosphate (beta-TCP), respectively, with composite materials presenting values in between. All studied bioceramic materials showed similar solid surface tension. For HA and beta-TCP, solid surface tensions of 46.7 and 45.3 mJ/m2, respectively, were obtained, while composites presented intermediate surface tension values. The dispersive component of surface tension was the predominant one for all materials studied. Adhesion work values between the vitronectin solution and HA and beta-TCP were found to be 79.8 and 88.0 mJ/m2, respectively, while the 4.0 wt % glass composites showed slightly lower values than the 2.5 wt % ones. The presence of beta-TCP influenced surface charge, hydrophobicity, and protein adsorption of the glass-reinforced HA composites, and therefore indirectly affected cell-biomaterial interactions.

  3. Error in Radar-Derived Soil Moisture due to Roughness Parameterization: An Analysis Based on Synthetical Surface Profiles

    Directory of Open Access Journals (Sweden)

    Bernard De Baets

    2009-02-01

    Full Text Available In the past decades, many studies on soil moisture retrieval from SAR demonstrated a poor correlation between the top layer soil moisture content and observed backscatter coefficients, which mainly has been attributed to difficulties involved in the parameterization of surface roughness. The present paper describes a theoretical study, performed on synthetical surface profiles, which investigates how errors on roughness parameters are introduced by standard measurement techniques, and how they will propagate through the commonly used Integral Equation Model (IEM into a corresponding soil moisture retrieval error for some of the currently most used SAR configurations. Key aspects influencing the error on the roughness parameterization and consequently on soil moisture retrieval are: the length of the surface profile, the number of profile measurements, the horizontal and vertical accuracy of profile measurements and the removal of trends along profiles. Moreover, it is found that soil moisture retrieval with C-band configuration generally is less sensitive to inaccuracies in roughness parameterization than retrieval with L-band configuration.

  4. Streaming potential revisited: the influence of convection on the surface conductivity.

    Science.gov (United States)

    Saini, Rakesh; Garg, Abhinandan; Barz, Dominik P J

    2014-09-16

    Electrokinetic phenomena play an important role in the electrical characterization of surfaces. In terms of planar or porous substrates, streaming potential and/or streaming current measurements can be used to determine the zeta potential of the substrates in contact with aqueous electrolytes. In this work, we perform electrical impedance spectroscopy measurements to infer the electrical resistance in a microchannel with the same conditions as for a streaming potential experiment. Novel correlations are derived to relate the streaming current and streaming potential to the Reynolds number of the channel flow. Our results not only quantify the influence of surface conductivity, and here especially the contribution of the stagnant layer, but also reveal that channel resistance and therefore zeta potential are influenced by the flow in the case of low ionic strengths. We conclude that convection can have a significant impact on the electrical double layer configuration which is reflected by changes in the surfaces conductivity.

  5. Surface Complexation Modeling of Calcite Zeta Potential Measurement in Mixed Brines for Carbonate Wettability Characterization

    Science.gov (United States)

    Song, J.; Zeng, Y.; Biswal, S. L.; Hirasaki, G. J.

    2017-12-01

    We presents zeta potential measurements and surface complexation modeling (SCM) of synthetic calcite in various conditions. The systematic zeta potential measurement and the proposed SCM provide insight into the role of four potential determining cations (Mg2+, SO42- , Ca2+ and CO32-) and CO2 partial pressure in calcite surface charge formation and facilitate the revealing of calcite wettability alteration induced by brines with designed ionic composition ("smart water"). Brines with varying potential determining ions (PDI) concentration in two different CO2 partial pressure (PCO2) are investigated in experiments. Then, a double layer SCM is developed to model the zeta potential measurements. Moreover, we propose a definition for contribution of charged surface species and quantitatively analyze the variation of charged species contribution when changing brine composition. After showing our model can accurately predict calcite zeta potential in brines containing mixed PDIs, we apply it to predict zeta potential in ultra-low and pressurized CO2 environments for potential applications in carbonate enhanced oil recovery including miscible CO2 flooding and CO2 sequestration in carbonate reservoirs. Model prediction reveals that pure calcite surface will be positively charged in all investigated brines in pressurized CO2 environment (>1atm). Moreover, the sensitivity of calcite zeta potential to CO2 partial pressure in the various brine is found to be in the sequence of Na2CO3 > Na2SO4 > NaCl > MgCl2 > CaCl2 (Ionic strength=0.1M).

  6. A potential synbiotic product improves the lipid profile of diabetic rats

    Directory of Open Access Journals (Sweden)

    Roselino Mariana N

    2012-09-01

    Full Text Available Abstract Background Previous studies showed that intake of yacon or some lactic acid bacteria was able to inhibit the development of diabetes mellitus, by reducing glucose and associated symptoms, for example, the lipid profile. Objective The purpose of this study was to assess the consumption influence of a potential symbiotic product of soybean and yacon extract and fermented Enterococcus faecium CRL 183 and Lactobacillus helveticus ssp jugurti 416 in reducing blood glucose and lipid levels in an animal model. Methods Diabetes mellitus was chemically induced by intraperitoneal administration of streptozotocin (50 mg/kg body weight. The rats were divided into four groups (n=10: GI – non-diabetic animals that received only a standard chow diet (negative control, GII – diabetic animals that received only chow diet (positive control, GIII – diabetic animals that received the chow diet + 1 mL/kg body weight/day of soybean and yacon unfermented product, GIV – diabetic rats that received the chow diet + 1 mL/kg body weight/day of soybean and yacon fermented product. There was a seven-week treatment period and the following parameters were evaluated: animal body weight, food and water intake, blood glucose, enzyme activities of aspartate aminotransferase (AST and alanine aminotransferase (ALT, triglycerides levels, total cholesterol, HDL-C, non-HDL-C. Cell viability of the fermented product was checked weekly for a seven-week period. Results The product average viable population was 108-109 CFU/mL, by ensuring both the rods and cocci regular intake. No difference was observed between the water and feed intake and body weight of groups that received unfermented and fermented products and the untreated diabetic group. The same was observed for the blood glucose and AST and ALT activities, while some improvement was observed for a lipid profile, represented by reduction of triglycerides level by 15.07% and 33.50% in groups III and IV

  7. Full-dimensional diabatic potential energy surfaces including dissociation: the ²E″ state of NO₃.

    Science.gov (United States)

    Eisfeld, Wolfgang; Vieuxmaire, Olivier; Viel, Alexandra

    2014-06-14

    A scheme to produce accurate full-dimensional coupled diabatic potential energy surfaces including dissociative regions and suitable for dynamical calculations is proposed. The scheme is successfully applied to model the two-sheeted surface of the (2)E″ state of the NO3 radical. An accurate potential energy surface for the NO₃⁻ anion ground state is developed as well. Both surfaces are based on high-level ab initio calculations. The model consists of a diabatic potential matrix, which is expanded to higher order in terms of symmetry polynomials of symmetry coordinates. The choice of coordinates is key for the accuracy of the obtained potential energy surfaces and is discussed in detail. A second central aspect is the generation of reference data to fit the expansion coefficients of the model for which a stochastic approach is proposed. A third ingredient is a new and simple scheme to handle problematic regions of the potential energy surfaces, resulting from the massive undersampling by the reference data unavoidable for high-dimensional problems. The final analytical diabatic surfaces are used to compute the lowest vibrational levels of NO₃⁻ and the photo-electron detachment spectrum of NO₃⁻ leading to the neutral radical in the (2)E″ state by full dimensional multi-surface wave-packet propagation for NO3 performed using the Multi-Configuration Time Dependent Hartree method. The achieved agreement of the simulations with available experimental data demonstrates the power of the proposed scheme and the high quality of the obtained potential energy surfaces.

  8. Profiling of aerosol concentrations, particle size distributions and relative humidity in the atmospheric surface layer over the North Sea

    NARCIS (Netherlands)

    Leeuw, G. de

    1990-01-01

    Results are presented from measurements in the lower 15 m of the marine atmospheric surface layer. The paper is focussed on the comparison of the profile data obtained with the Rotorod and the optical scatterometer. These instruments are based on different physical principles. Results show that

  9. When to refrain from using likelihood surface methods for geographic offender profiling: An ex ante test of assumptions

    NARCIS (Netherlands)

    van Koppen, M.V.; Elffers, H.; Ruiter, S.

    2011-01-01

    Likelihood surface methods for geographic offender profiling rely on several assumptions regarding the underlying location choice mechanism of an offender. We propose an ex ante test for checking whether a given set of crime locations is compatible with two necessary assumptions: circular symmetry

  10. A fast, magnetics-free flux surface estimation and q-profile reconstruction algorithm for feedback control of plasma profiles

    NARCIS (Netherlands)

    Hommen, G.; de M. Baar,; Citrin, J.; de Blank, H. J.; Voorhoeve, R. J.; de Bock, M. F. M.; Steinbuch, M.

    2013-01-01

    The flux surfaces' layout and the magnetic winding number q are important quantities for the performance and stability of tokamak plasmas. Normally, these quantities are iteratively derived by solving the plasma equilibrium for the poloidal and toroidal flux. In this work, a fast, non-iterative

  11. Influence of the topography of the surface of the Earth on vertical sounding of the temperature profile

    Directory of Open Access Journals (Sweden)

    A. Pfister

    Full Text Available Atmospheric temperature and humidity fields as well as information on other meteorological parameters are nowadays retrieved from radiance measurements recorded by operational meteorological satellites. Up to now, the inversion procedures used only take into account crude information on the topography of the Earth's surface. However, the applied radiative transfer codes have to consider the Earth's surface as the lower boundary of the atmospheric model and, therefore, need a more precise mean elevation and a classification of the roughness of the Earth's surface. The influence of the topography of the Earth surface on retrieved temperature profiles is studied by using a physico-statistical inversion method. An objective analysis is made of the more precise mean elevation and derivation of roughness parameters using a new high-resolution digital elevation model (DEM with a resolution of 500 m×500 m. By means of a geomorphological process and a newly developed topography rejection test, areas with a high surface roughness are localized and singled out. The influence of topography on the retrieved temperature profiles is illustrated by case studies. Changes are found predominantly in areas with a high variation of topography. Using the new high-resolution DEM and the topography rejection test, the geographical position of the calculated temperature profiles tends to be shifted towards areas with a small vertical variation of topography. The mean elevation determined by the new elevation model better characterizes the area observed. Hence, the temperature profiles can be calculated down to lower atmospheric levels. Furthermore, a guess profile better describing the atmospheric situation is selected by the more precise elevation. In addition, the temperature profiles obtained near the coast are improved considerably by the more precise determination of the surface property `sea' and `land,' respectively. Integration of an

  12. Influence of the topography of the surface of the Earth on vertical sounding of the temperature profile

    Directory of Open Access Journals (Sweden)

    A. Pfister

    1995-03-01

    Full Text Available Atmospheric temperature and humidity fields as well as information on other meteorological parameters are nowadays retrieved from radiance measurements recorded by operational meteorological satellites. Up to now, the inversion procedures used only take into account crude information on the topography of the Earth's surface. However, the applied radiative transfer codes have to consider the Earth's surface as the lower boundary of the atmospheric model and, therefore, need a more precise mean elevation and a classification of the roughness of the Earth's surface. The influence of the topography of the Earth surface on retrieved temperature profiles is studied by using a physico-statistical inversion method. An objective analysis is made of the more precise mean elevation and derivation of roughness parameters using a new high-resolution digital elevation model (DEM with a resolution of 500 m×500 m. By means of a geomorphological process and a newly developed topography rejection test, areas with a high surface roughness are localized and singled out. The influence of topography on the retrieved temperature profiles is illustrated by case studies. Changes are found predominantly in areas with a high variation of topography. Using the new high-resolution DEM and the topography rejection test, the geographical position of the calculated temperature profiles tends to be shifted towards areas with a small vertical variation of topography. The mean elevation determined by the new elevation model better characterizes the area observed. Hence, the temperature profiles can be calculated down to lower atmospheric levels. Furthermore, a guess profile better describing the atmospheric situation is selected by the more precise elevation. In addition, the temperature profiles obtained near the coast are improved considerably by the more precise determination of the surface property `sea' and `land,' respectively. Integration of an independent physical

  13. Efficient Geometry Minimization and Transition Structure Optimization Using Interpolated Potential Energy Surfaces and Iteratively Updated Hessians.

    Science.gov (United States)

    Zheng, Jingjing; Frisch, Michael J

    2017-12-12

    An efficient geometry optimization algorithm based on interpolated potential energy surfaces with iteratively updated Hessians is presented in this work. At each step of geometry optimization (including both minimization and transition structure search), an interpolated potential energy surface is properly constructed by using the previously calculated information (energies, gradients, and Hessians/updated Hessians), and Hessians of the two latest geometries are updated in an iterative manner. The optimized minimum or transition structure on the interpolated surface is used for the starting geometry of the next geometry optimization step. The cost of searching the minimum or transition structure on the interpolated surface and iteratively updating Hessians is usually negligible compared with most electronic structure single gradient calculations. These interpolated potential energy surfaces are often better representations of the true potential energy surface in a broader range than a local quadratic approximation that is usually used in most geometry optimization algorithms. Tests on a series of large and floppy molecules and transition structures both in gas phase and in solutions show that the new algorithm can significantly improve the optimization efficiency by using the iteratively updated Hessians and optimizations on interpolated surfaces.

  14. The PyPES library of high quality semi-global potential energy surfaces.

    Science.gov (United States)

    Sibaev, Marat; Crittenden, Deborah L

    2015-11-05

    In this article, we present a Python-based library of high quality semi-global potential energy surfaces for 50 polyatomic molecules with up to six atoms. We anticipate that these surfaces will find widespread application in the testing of new potential energy surface construction algorithms and nuclear ro-vibrational structure theories. To this end, we provide the ability to generate the energy derivatives required for Taylor series expansions to sixth order about any point on the potential energy surface in a range of common coordinate systems, including curvilinear internal, Cartesian, and normal mode coordinates. The PyPES package, along with FORTRAN, C, MATLAB and Mathematica wrappers, is available at http://sourceforge.net/projects/pypes-lib. © 2015 Wiley Periodicals, Inc.

  15. Surface potential measurement of negative-ion-implanted insulators by analysing secondary electron energy distribution

    International Nuclear Information System (INIS)

    Toyota, Yoshitaka; Tsuji, Hiroshi; Nagumo, Syoji; Gotoh, Yasuhito; Ishikawa, Junzo; Sakai, Shigeki.

    1994-01-01

    The negative ion implantation method we have proposed is a noble technique which can reduce surface charging of isolated electrodes by a large margin. In this paper, the way to specify the surface potential of negative-ion-implanted insulators by the secondary electron energy analysis is described. The secondary electron energy distribution is obtained by a retarding field type energy analyzer. The result shows that the surface potential of fused quartz by negative-ion implantation (C - with the energy of 10 keV to 40 keV) is negatively charged by only several volts. This surface potential is extremely low compared with that by positive-ion implantation. Therefore, the negative-ion implantation is a very effective method for charge-up free implantation without charge compensation. (author)

  16. Depth Profiling (ICP-MS Study of Toxic Metal Buildup in Concrete Matrices: Potential Environmental Impact

    Directory of Open Access Journals (Sweden)

    Ghada Bassioni

    2010-10-01

    Full Text Available This paper explores the potential of concrete material to accumulate toxic trace elements using ablative laser technology (ICP-MS. Concrete existing in offshore structures submerged in seawater acts as a sink for hazardous metals, which could be gradually released into the ocean creating pollution and anoxic conditions for marine life. Ablative laser technology is a valuable tool for depth profiling concrete to evaluate the distribution of toxic metals and locate internal areas where such metals accumulate. Upon rapid degradation of concrete these “hotspots” could be suddenly released, thus posing a distinct threat to aquatic life. Our work simulated offshore drilling conditions by immersing concrete blocks in seawater and investigating accumulated toxic trace metals (As, Be, Cd, Hg, Os, Pb in cored samples by laser ablation. The experimental results showed distinct inhomogeneity in metal distribution. The data suggest that conditions within the concrete structure are favorable for random metal accumulation at certain points. The exact mechanism for this behavior is not clear at this stage and has considerable scope for extended research including modeling and remedial studies.

  17. Multiplatform molecular profiling identifies potentially targetable biomarkers in malignant phyllodes tumors of the breast.

    Science.gov (United States)

    Gatalica, Zoran; Vranic, Semir; Ghazalpour, Anatole; Xiu, Joanne; Ocal, Idris Tolgay; McGill, John; Bender, Ryan P; Discianno, Erin; Schlum, Aaron; Sanati, Souzan; Palazzo, Juan; Reddy, Sandeep; Pockaj, Barbara

    2016-01-12

    Malignant phyllodes tumor is a rare breast malignancy with sarcomatous overgrowth and with limited effective treatment options for recurrent and metastatic cases. Recent clinical trials indicated a potential for anti-angiogenic, anti-EGFR and immunotherapeutic approaches for patients with sarcomas, which led us to investigate these and other targetable pathways in malignant phyllodes tumor of the breast. Thirty-six malignant phyllodes tumors (including 8 metastatic tumors with two cases having matched primary and metastatic tumors) were profiled using gene sequencing, gene copy number analysis, whole genome expression, and protein expression. Whole genome expression analysis demonstrated consistent over-expression of genes involved in angiogenesis including VEGFA, Angiopoietin-2, VCAM1, PDGFRA, and PTTG1. EGFR protein overexpression was observed in 26/27 (96%) of cases with amplification of the EGFR gene in 8/24 (33%) cases. Two EGFR mutations were identified including EGFRvIII and a presumed pathogenic V774M mutation, respectively. The most common pathogenic mutations included TP53 (50%) and PIK3CA (15%). Cases with matched primary and metastatic tumors harbored identical mutations in both sites (PIK3CA/KRAS and RB1 gene mutations, respectively). Tumor expression of PD-L1 immunoregulatory protein was observed in 3/22 (14%) of cases. Overexpression of molecular biomarkers of increased angiogenesis, EGFR and immune checkpoints provides novel targeted therapy options in malignant phyllodes tumors of the breast.

  18. Subsurface mapping in the Iberian Pyrite Belt using seismic reflection profiling and potential-field data

    Science.gov (United States)

    Carvalho, João; Inverno, Carlos; Matos, João Xavier; Rosa, Carlos; Granado, Isabel; Branch, Tim; Represas, Patrícia; Carabaneanu, Livia; Matias, Luís; Sousa, Pedro

    2017-04-01

    The Iberian Pyrite Belt (IPB) hosts world-class massive sulphide deposits, such as Neves-Corvo in Portugal and Rio Tinto in Spain. In Portugal, the Palaeozoic Volcanic-Sedimentary Complex (VSC) hosts these ore deposits, extending from the Grândola-Alcácer region to the Spanish border with a NW-SE to WNW-ESE trend. In the study area, between the Neves-Corvo mine region and Alcoutim (close to the Spanish border), the VSC outcrops only in a small horst near Alcoutim. Sparse exploration drill-hole data indicate that the depth to the top of the VSC varies from several 100 m to about 1 km beneath the Mértola Formation Flysch cover. Mapping of the VSC to the SE of Neves-Corvo mine is an important exploration goal and motivated the acquisition of six 2D seismic reflection profiles with a total length of approximately 82 km in order to map the hidden extension of the VSC. The data, providing information deeper than 10 km at some locations, were integrated in a 3D software environment along with potential-field, geological and drill-hole data to form a 3D structural framework model. Seismic data show strong reflections that represent several long Variscan thrust planes that smoothly dip to the NNE. Outcropping and previously unknown Late Variscan near-vertical faults were also mapped. Our data strongly suggest that the structural framework of Neves-Corvo extends south-eastwards to Alcoutim. Furthermore, the VSC top is located at depths that show the existence within the IPB of new areas with good potential to develop exploration projects envisaging the discovery of massive sulphide deposits of the Neves-Corvo type.

  19. Metabolomic and inflammatory mediator based biomarker profiling as a potential novel method to aid pediatric appendicitis identification.

    Science.gov (United States)

    Shommu, Nusrat S; Jenne, Craig N; Blackwood, Jaime; Joffe, Ari R; Martin, Dori-Ann; Thompson, Graham C; Vogel, Hans J

    2018-01-01

    Various limitations hinder the timely and accurate diagnosis of appendicitis in pediatric patients. The present study aims to investigate the potential of metabolomics and cytokine profiling for improving the diagnosis of pediatric appendicitis. Serum and plasma samples were collected from pediatric patients for metabolic and inflammatory mediator analyses respectively. Targeted metabolic profiling was performed using Proton Nuclear Magnetic Resonance Spectroscopy and Flow Injection Analysis Mass Spectrometry/Mass Spectrometry and targeted cytokine/chemokine profiling was completed using a multiplex platform to compare children with and without appendicitis. Twenty-three children with appendicitis and 35 control children without appendicitis from the Alberta Sepsis Network pediatric cohorts were included. Metabolomic profiling revealed clear separation between the two groups with very good sensitivity (80%), specificity (97%), and AUROC (0.93 ± 0.05) values. Inflammatory mediator analysis also distinguished the two groups with high sensitivity (82%), specificity (100%), and AUROC (0.97 ± 0.02) values. A biopattern comprised of 9 metabolites and 7 inflammatory compounds was detected to be significant for the separation between appendicitis and control groups. Integration of these 16 significant compounds resulted in a combined metabolic and cytokine profile that also demonstrated strong separation between the two groups with 81% sensitivity, 100% specificity and AUROC value of 0.96 ± 0.03. The study demonstrated that metabolomics and cytokine mediator profiling is capable of distinguishing children with appendicitis from those without. These results suggest a potential new approach for improving the identification of appendicitis in children.

  20. Use of In Situ Cloud Condensation Nuclei, Extinction, and Aerosol Size Distribution Measurements to Test a Method for Retrieving Cloud Condensation Nuclei Profiles From Surface Measurements

    Science.gov (United States)

    Ghan, Stephen J.; Rissman, Tracey A.; Ellman, Robert; Ferrare, Richard A.; Turner, David; Flynn, Connor; Wang, Jian; Ogren, John; Hudson, James; Jonsson, Haflidi H.; hide

    2006-01-01

    If the aerosol composition and size distribution below cloud are uniform, the vertical profile of cloud condensation nuclei (CCN) concentration can be retrieved entirely from surface measurements of CCN concentration and particle humidification function and surface-based retrievals of relative humidity and aerosol extinction or backscatter. This provides the potential for long-term measurements of CCN concentrations near cloud base. We have used a combination of aircraft, surface in situ, and surface remote sensing measurements to test various aspects of the retrieval scheme. Our analysis leads us to the following conclusions. The retrieval works better for supersaturations of 0.1% than for 1% because CCN concentrations at 0.1% are controlled by the same particles that control extinction and backscatter. If in situ measurements of extinction are used, the retrieval explains a majority of the CCN variance at high supersaturation for at least two and perhaps five of the eight flights examined. The retrieval of the vertical profile of the humidification factor is not the major limitation of the CCN retrieval scheme. Vertical structure in the aerosol size distribution and composition is the dominant source of error in the CCN retrieval, but this vertical structure is difficult to measure from remote sensing at visible wavelengths.

  1. Biofilm formation by Listeria monocytogenes on stainless steel surface and biotransfer potential

    Directory of Open Access Journals (Sweden)

    Maíra Maciel Mattos de Oliveira

    2010-03-01

    Full Text Available An experimental model was proposed to study biofilm formation by Listeria monocytogenes ATCC 19117 on AISI 304 (#4 stainless steel surface and biotransfer potential during this process. In this model, biofilm formation was conducted on the surface of stainless steel coupons, set on a stainless steel base with 4 divisions, each one supporting 21 coupons. Trypic Soy Broth was used as bacterial growth substrate, with incubation at 37 ºC and stirring of 50 rpm. The number of adhered cells was determined after 3, 48, 96, 144, 192 and 240 hours of biofilm formation and biotransfer potential from 96 hours. Stainless steel coupons were submitted to Scanning Electron Microscopy (SEM after 3, 144 and 240 hours. Based on the number of adhered cells and SEM, it was observed that L. monocytogenes adhered rapidly to the stainless steel surface, with mature biofilm being formed after 240 hours. The biotransfer potential of bacterium to substrate occurred at all the stages analyzed. The rapid capacity of adhesion to surface, combined with biotransfer potential throughout the biofilm formation stages, make L. monocytogenes a potential risk to the food industry. Both the experimental model developed and the methodology used were efficient in the study of biofilm formation by L. monocytogenes on stainless steel surface and biotransfer potential.

  2. Disordered electrical potential observed on the surface of SiO2 by electric field microscopy

    International Nuclear Information System (INIS)

    GarcIa, N; Yan Zang; Ballestar, A; Barzola-Quiquia, J; Bern, F; Esquinazi, P

    2010-01-01

    The electrical potential on the surface of ∼300 nm thick SiO 2 grown on single-crystalline Si substrates has been characterized at ambient conditions using electric field microscopy. Our results show an inhomogeneous potential distribution with fluctuations up to ∼0.4 V within regions of 1 μm. The potential fluctuations observed at the surface of these usual dielectric holders of graphene sheets should induce strong variations in the graphene charge densities and provide a simple explanation for some of the anomalous behaviors of the transport properties of graphene.

  3. Modulating the pH-activity profile of cellulase A from Cellulomonas fimi by replacement of surface residues.

    Science.gov (United States)

    Cockburn, Darrell W; Clarke, Anthony J

    2011-05-01

    One industrial process for the production of cellulosic ethanol and or value-added products involves exposing the cellulose content of plant materials by steam explosion in the presence of strong acid, followed by its neutralization and subsequent digestion with a cocktail of cellulolytic enzymes. These enzymes typically have activity optima at slightly acidic or neutral pH and so generating enzymes that are more active and tolerant in more acidic conditions would help to reduce associated costs. Here, we describe the engineering of cellulase A from Cellulomonas fimi as a model to replace residues that were identified as potentially influencing the pH-activity profile of the enzyme based on sequence alignments and analysis of the known three-dimensional structures of other CAZy family 6 glycoside hydrolases with the aim to lower its pH optimum. Twelve specific residues and a sequence of eight were identified and a total of 30 mutant enzymes were generated. In addition to being replaced with natural amino acids, some of the identified residues were substituted with cysteine and subsequently oxidized to cysteinesulfinate. Of the four single amino acid replacements that produced enhancements of activity at acidic pH, three involved the removal of charged groups from the surface of the enzyme. The generation of double mutations provided mixed results but the combination of Glu407 → Ala and Tyr321 → Phe replacements had an additive effect on the enhancement, reaching a total activity that was 162% of the wild-type level. This study thus illustrated the utility of altering the surface charge properties of the family 6 glycoside hydrolases to enhance activity at low pH and thereby an avenue for further protein engineering.

  4. Infrared spectroscopy of the Ar-C2HD complex: Potential energy surfaces

    International Nuclear Information System (INIS)

    Bemish, R.J.; Miller, R.E.

    1996-01-01

    The argon-acetylene complex has been studied by a number of experimental and theoretical groups, with the aim in mind of determining an accurate potential energy surface for this system. Both microwave and infrared spectroscopy have provided detailed rotational and vibrational constants for this system. In addition, scattering experiments have been reported and ab initio calculation performed. Even with all of this, there are still some fundamental questions that remain unanswered with regards to the shape of the potential surface. The authors will review some of this work to outline the current situation. In the present study, the authors have obtained high resolution infrared spectra of the Ar-C 2 HD complex with the aim of providing additional molecular constants that could be used to help constrain the potential. Collocation calculations are reported, using a number of potential surfaces, for this and the normal isotopomer. This additional data helps to answer some of these open questions

  5. Oxygen accumulation on metal surfaces investigated by XPS, AES and LEIS, an issue for sputter depth profiling under UHV conditions

    Energy Technology Data Exchange (ETDEWEB)

    Steinberger, R., E-mail: roland.steinberger@jku.at [Center for Surface and Nanoanalytics, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Celedón, C.E., E-mail: carlos.celedon@usm.cl [Institut für Experimentalphysik, Abteilung für Atom- und Oberflächenphysik, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Departamento de Física, Universidad Técnica Federico Santa María, Valaparaíso, Casilla 110-V (Chile); Bruckner, B., E-mail: barbara.bruckner@jku.at [Institut für Experimentalphysik, Abteilung für Atom- und Oberflächenphysik, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Roth, D., E-mail: dietmar.roth@jku.at [Institut für Experimentalphysik, Abteilung für Atom- und Oberflächenphysik, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Duchoslav, J., E-mail: jiri.duchoslav@jku.at [Center for Surface and Nanoanalytics, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); Arndt, M., E-mail: martin.arndt@voestalpine.com [voestalpine Stahl GmbH, voestalpine-Straße 3, 4031 Linz (Austria); Kürnsteiner, P., E-mail: p.kuernsteiner@mpie.de [Center for Surface and Nanoanalytics, Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz (Austria); and others

    2017-07-31

    Highlights: • Investigation on the impact of residual gas prevailing in UHV chambers. • For some metals detrimental oxygen uptake could be observed within shortest time. • Totally different behavior was found: no changes, solely adsorption and oxidation. • The UHV residual gas may severely corrupt results obtained from depth profiling. • A well-considered data acquisition sequence is the key for reliable depth profiles. - Abstract: Depth profiling using surface sensitive analysis methods in combination with sputter ion etching is a common procedure for thorough material investigations, where clean surfaces free of any contamination are essential. Hence, surface analytic studies are mostly performed under ultra-high vacuum (UHV) conditions, but the cleanness of such UHV environments is usually overrated. Consequently, the current study highlights the in principle known impact of the residual gas on metal surfaces (Fe, Mg, Al, Cr and Zn) for various surface analytics methods, like X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and low-energy ion scattering (LEIS). The investigations with modern, state-of-the-art equipment showed different behaviors for the metal surfaces in UHV during acquisition: (i) no impact for Zn, even after long time, (ii) solely adsorption of oxygen for Fe, slight and slow changes for Cr and (iii) adsorption accompanied by oxide formation for Al and Mg. The efficiency of different counter measures was tested and the acquired knowledge was finally used for ZnMgAl coated steel to obtain accurate depth profiles, which exhibited before serious artifacts when data acquisition was performed in an inconsiderate way.

  6. Gravimetric and density profiling using the combination of surface acoustic waves and neutron reflectivity.

    Science.gov (United States)

    Toolan, Daniel T W; Barker, Robert; Gough, Tim; Topham, Paul D; Howse, Jonathan R; Glidle, Andrew

    2017-02-01

    A new approach is described herein, where neutron reflectivity measurements that probe changes in the density profile of thin films as they absorb material from the gas phase have been combined with a Love wave based gravimetric assay that measures the mass of absorbed material. This combination of techniques not only determines the spatial distribution of absorbed molecules, but also reveals the amount of void space within the thin film (a quantity that can be difficult to assess using neutron reflectivity measurements alone). The uptake of organic solvent vapours into spun cast films of polystyrene has been used as a model system with a view to this method having the potential for extension to the study of other systems. These could include, for example, humidity sensors, hydrogel swelling, biomolecule adsorption or transformations of electroactive and chemically reactive thin films. This is the first ever demonstration of combined neutron reflectivity and Love wave-based gravimetry and the experimental caveats, limitations and scope of the method are explored and discussed in detail. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  7. New twist in the optical schematic of surface slope measuring long trace profiler

    Science.gov (United States)

    Nikitin, Sergey M.; Gevorkyan, Gevork S.; McKinney, Wayne R.; Lacey, Ian; Takacs, Peter Z.; Yashchuk, Valeriy V.

    2017-09-01

    The advents of fully coherent free electron lasers and diffraction limited synchrotron storage ring sources of x-rays are catalyzing the development of new, ultra-high accuracy metrology methods. To fully exploit the potential of these sources, metrology needs to be capable of determining the figure of an optical element with sub-nanometer height accuracy. Currently, the two most prevalent slope measuring instruments used for characterization of x-ray optics are the auto-collimator based nanometer optical measuring device (NOM) and the long trace profiler (LTP) using pencil beam interferometry (PBI). These devices have been consistently improved upon by the x-ray optics metrology community, but appear to be approaching their metrological limits. Here, we revise the traditional optical schematic of the LTP. We experimentally show that, for the level of accuracy desired for metrology with state-of-the-art x-ray optics, the Dove prism in the LTP reference channel appears to be one of the major sources of instrumental error. Therefore, we suggest returning back to the original PBI LTP schematics with no Dove prism in the reference channel. In this case, the optimal scanning strategies [Yashchuk, Rev. Sci. Instrum. 80, 115101 (2009)] used to suppress the instrumental drift error have to be used to suppress a possible drift error associated with laser beam pointing instability. We experimentally and by numerical simulation demonstrate the usefulness of the suggested approach for measurements with x-ray optics with both face up and face down orientations.

  8. Electrocardiogram: his bundle potentials can be recorded noninvasively beat by beat on surface electrocardiogram.

    Science.gov (United States)

    Wang, Gaopin; Liu, Renguang; Chang, Qinghua; Xu, Zhaolong; Zhang, Yingjie; Pan, Dianzhu

    2017-03-15

    The micro waveform of His bundle potential can't be recorded beat-to-beat on surface electrocardiogram yet. We have found that the micro-wavelets before QRS complex may be related to atrioventricular conduction system potentials. This study is to explore the possibility of His bundle potential can be noninvasively recorded on surface electrocardiogram. We randomized 65 patients undergoing radiofrequency catheter ablation of paroxysmal superventricular tachycardia (exclude overt Wolff-Parkinson-White syndrome) to receive "conventional electrocardiogram" and "new electrocardiogram" before the procedure. His bundle electrogram was collected during the procedure. Comparative analysis of PA s (PA interval recorded on surface electrocardiogram), AH s (AH interval recorded on surface electrocardiogram) and HV s (HV interval recorded on surface electrocardiogram) interval recorded on surface "new electrocardiogram" and PA, AH, HV interval recorded on His bundle electrogram was investigated. There was no difference (P > 0.05) between groups in HV s interval (49.63 ± 6.19 ms) and HV interval (49.35 ± 6.49 ms). Results of correlational analysis found that HV S interval was significantly positively associated with HV interval (r = 0.929; P electrocardiogram. Noninvasive His bundle potential tracing might represent a new method for locating the site of atrioventricular block and identifying the origin of a wide QRS complex.

  9. The Effect of Images on Surface Potential and Resistance Calculation of Grounding Systems

    Directory of Open Access Journals (Sweden)

    MARTINS, A.

    2015-05-01

    Full Text Available In the grounding systems with a two layers soil, the calculation of the surface potential using the image method is sometimes impossible due to singularities, avoiding researchers to use the method for electrodes in the bottom layer. In the literature this problem solution is refereed as unreliable or solved with other more complex methods. This paper presents a new approach to calculate the surface potentials in a two. layer soil, for electrodes in the bottom layer, when images are at surface. The singularities in computing surface voltage, when the first image upwards lies at surface, are analysed and it's shown that a small change in top layer thickness allows an approximate solution. Surface potentials due to grid conductor are also considered and the values of resistance are compared with those from other methodologies. Singularities for a ground rod that crosses the two layers are also treated. The obtained values of resistance are not satisfactory, due to lower segments images that overlap the upper segments. This paper also proposes shifting the surface of the upper part of the ground rod, in the upper layer, or taking the modulus of the mutual resistance, to overcome this difficulty.

  10. 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.

  11. Clinicodemographic profile and treatment outcome in patients of ocular surface squamous neoplasia.

    Science.gov (United States)

    Meel, Rachna; Dhiman, Rebika; Vanathi, Murugesan; Pushker, Neelam; Tandon, Radhika; Devi, Saranya

    2017-10-01

    The aim is to study the clinicodemographic profile and treatment outcome of ocular surface squamous neoplasia (OSSN). This was a retrospective observational study of 57 eyes (56 cases) with clinically diagnosed OSSN, presenting in our center over the past year. The median age of presentation was 55 years with male:female ratio being 4.5:1. Systemic predisposing conditions were xeroderma pigmentosa (1) postkidney transplant immunosuppression (1), and human immunodeficiency virus infection (1). Patients with predisposing conditions had a younger median age of onset (33 years). The majority of tumors were nodular (61.4%), gelatinous (61.4%), and had limbal involvement (96%). On ultrasound biomicroscopy (UBM), mean tumor height was 2.93 ± 1.02 mm, and intraocular extension was evident in seven eyes. OSSN with intraocular extension had a mean tumor height of 4.3 ± 1.32 mm. Nodal metastasis was seen in one case at presentation. As per American Joint Committee for Cancer Classification seventh edition staging-two cases were T1, one was T2, 46 were T3 and eight were T4. Treatment advised included conservative therapy for 39; wide local excision (4 mm margin clearance) with cryotherapy for seven; enucleation in four; and exenteration in four eyes. Overall, complete regression was achieved in 88% of cases during a mean follow-up of 13.5 ± 4.6 months. Recurrence was seen in three cases, which were treated with exenteration, radical neck dissection, and palliative chemo-radiotherapy, respectively. Although associated with old age, earlier onset of OSSN is seen in patients with systemic predisposing conditions. Thicker tumors in the setting of a previous surgery or immunocompromised status should be considered high-risk features for intraocular extension and should be evaluated on UBM.

  12. Clinicodemographic profile and treatment outcome in patients of ocular surface squamous neoplasia

    Directory of Open Access Journals (Sweden)

    Rachna Meel

    2017-01-01

    Full Text Available Purpose: The aim is to study the clinicodemographic profile and treatment outcome of ocular surface squamous neoplasia (OSSN. Methods: This was a retrospective observational study of 57 eyes (56 cases with clinically diagnosed OSSN, presenting in our center over the past year. Results: The median age of presentation was 55 years with male:female ratio being 4.5:1. Systemic predisposing conditions were xeroderma pigmentosa (1 postkidney transplant immunosuppression (1, and human immunodeficiency virus infection (1. Patients with predisposing conditions had a younger median age of onset (33 years. The majority of tumors were nodular (61.4%, gelatinous (61.4%, and had limbal involvement (96%. On ultrasound biomicroscopy (UBM, mean tumor height was 2.93 ± 1.02 mm, and intraocular extension was evident in seven eyes. OSSN with intraocular extension had a mean tumor height of 4.3 ± 1.32 mm. Nodal metastasis was seen in one case at presentation. As per American Joint Committee for Cancer Classification seventh edition staging-two cases were T1, one was T2, 46 were T3 and eight were T4. Treatment advised included conservative therapy for 39; wide local excision (4 mm margin clearance with cryotherapy for seven; enucleation in four; and exenteration in four eyes. Overall, complete regression was achieved in 88% of cases during a mean follow-up of 13.5 ± 4.6 months. Recurrence was seen in three cases, which were treated with exenteration, radical neck dissection, and palliative chemo-radiotherapy, respectively. Conclusion: Although associated with old age, earlier onset of OSSN is seen in patients with systemic predisposing conditions. Thicker tumors in the setting of a previous surgery or immunocompromised status should be considered high-risk features for intraocular extension and should be evaluated on UBM.

  13. Oxygen 18 concentration profile measurements near the surface by 18O(p,α)15N resonance reaction

    International Nuclear Information System (INIS)

    Amsel, G.; David, D.

    1975-01-01

    The method of spectrum reduction in nuclear reaction microanalysis does not allow to obtain depth resolutions better than the order of 2000A. Resolutions of the order of 200A may be obtained by using the narrow resonance technique, when applied to thin films. The latter technique was extended to thick targets, with deep concentration profiles presenting a sharp gradient near the surface. This method is presented and illustrated by the study of 18 O profiles in oxygen diffusion measurements in growing ZrO 2 , using the 629keV resonance of the reaction 18 O(p,α) 15 N [fr

  14. Protein profiling of B-cell lymphomas using tissue biopsies: A potential tool for small samples in pathology.

    NARCIS (Netherlands)

    Jansen, C.; Hebeda, K.M.; Linkels, M.; Grefte, J.M.M.; Raemaekers, J.M.M.; Krieken, J.H.J.M. van; Groenen, P.J.T.A.

    2008-01-01

    Non-Hodgkin's lymphoma comprises many related but distinct diseases and diagnosis and classification is complex. Protein profiling of lymphoma biopsies may be of potential value for use in this lymphoma classification and the discovery of novel markers. In this study, we have optimized a method for

  15. Spatial profiles of potential, ion concentration and flux in short unipolar and bipolar nanopores.

    Science.gov (United States)

    Tajparast, Mohammad; Virdi, Gautam; Glavinović, Mladen I

    2015-10-01

    During release of vesicular content the resistance of the fusion pore sometimes changes rapidly and repeatedly. However, it is not clear why the pore 'flickers'. Engineered nanopores often rectify, but how different factors influence the rectification requires clarification. To better understand the ionic 'causes' of pore conductivity and its changes we simulated ion transport through a short nanopore using Poisson-Nernst-Planck equations, coupling it to the transport of water using Navier-Stokes equations. We extracted the potential, concentration, and ion flux profiles. In uniformly charged nanopores the voltage bias determines which counter-ion flux dominates, and it is carried by the counter-ions of the highest concentration. In unipolar nanopores this simple rule breaks down. The dominant counter-ion in the charged half is from the adjacent compartment, but the bias determines what counter-ion flux is dominant--the same ion (regular bias), or a different and smaller (reverse bias), and this difference determines the level of rectification. In bipolar nanopores the dominant counter-ions in each half are from the adjacent compartments, and the total ion concentration dips in the middle near the wall. With regular bias the total ion concentration peaks in the pore center; the ions that carry the current through the nanopore start as counter-ions and their fluxes are large. With reverse bias the total concentration dips near the wall and in the center, both dominant ion fluxes through the nanopore start as co-ions and are very small, whereas those starting as counter-ions do not go through. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. High volume hydraulic fracturing operations: potential impacts on surface water and human health.

    Science.gov (United States)

    Mrdjen, Igor; Lee, Jiyoung

    2016-08-01

    High volume, hydraulic fracturing (HVHF) processes, used to extract natural gas and oil from underground shale deposits, pose many potential hazards to the environment and human health. HVHF can negatively affect the environment by contaminating soil, water, and air matrices with potential pollutants. Due to the relatively novel nature of the process, hazards to surface waters and human health are not well known. The purpose of this article is to link the impacts of HVHF operations on surface water integrity, with human health consequences. Surface water contamination risks include: increased structural failure rates of unconventional wells, issues with wastewater treatment, and accidental discharge of contaminated fluids. Human health risks associated with exposure to surface water contaminated with HVHF chemicals include increased cancer risk and turbidity of water, leading to increased pathogen survival time. Future research should focus on modeling contamination spread throughout the environment, and minimizing occupational exposure to harmful chemicals.

  17. Investigation of Range Profiles from a Simplified Ship on Rough Sea Surface and Its Multipath Imaging Mechanisms

    Directory of Open Access Journals (Sweden)

    Siyuan He

    2012-01-01

    Full Text Available The range profiles of a two-dimension (2 D perfect electric conductor (PEC ship on a wind-driven rough sea surface are derived by performing an inverse discrete Fourier transform (IDFT on the wide band backscattered field. The rough sea surface is assuming to be a PEC surface. The back scattered field is computed based on EM numerical simulation when the frequencies are sampled between 100 MHz and 700 MHz. Considering the strong coupling interactions between the ship and sea, the complicated multipath effect to the range profile characteristics is fully analyzed based on the multipath imaging mechanisms. The coupling mechanisms could be explained by means of ray theory prediction and numerical extraction of the coupling currents. The comparison of the range profile locations between ray theory prediction and surface current simulation is implemented and analyzed in this paper. Finally, the influence of different sea states on the radar target signatures has been examined and discussed.

  18. Oxygen accumulation on metal surfaces investigated by XPS, AES and LEIS, an issue for sputter depth profiling under UHV conditions

    Science.gov (United States)

    Steinberger, R.; Celedón, C. E.; Bruckner, B.; Roth, D.; Duchoslav, J.; Arndt, M.; Kürnsteiner, P.; Steck, T.; Faderl, J.; Riener, C. K.; Angeli, G.; Bauer, P.; Stifter, D.

    2017-07-01

    Depth profiling using surface sensitive analysis methods in combination with sputter ion etching is a common procedure for thorough material investigations, where clean surfaces free of any contamination are essential. Hence, surface analytic studies are mostly performed under ultra-high vacuum (UHV) conditions, but the cleanness of such UHV environments is usually overrated. Consequently, the current study highlights the in principle known impact of the residual gas on metal surfaces (Fe, Mg, Al, Cr and Zn) for various surface analytics methods, like X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and low-energy ion scattering (LEIS). The investigations with modern, state-of-the-art equipment showed different behaviors for the metal surfaces in UHV during acquisition: (i) no impact for Zn, even after long time, (ii) solely adsorption of oxygen for Fe, slight and slow changes for Cr and (iii) adsorption accompanied by oxide formation for Al and Mg. The efficiency of different counter measures was tested and the acquired knowledge was finally used for ZnMgAl coated steel to obtain accurate depth profiles, which exhibited before serious artifacts when data acquisition was performed in an inconsiderate way.

  19. Coupled ADCPs can yield complete Reynolds stress tensor profiles in geophysical surface flows

    NARCIS (Netherlands)

    Vermeulen, B.; Hoitink, A.J.F.; Sassi, M.G.

    2011-01-01

    We introduce a new technique to measure profiles of each term in the Reynolds stress tensor using coupled acoustic Doppler current profilers (ADCPs). The technique is based on the variance method which is extended to the case with eight acoustic beams. Methods to analyze turbulence from a single

  20. MRD-CI potential surfaces using balanced basis sets. IV. The H2 molecule and the H3 surface

    International Nuclear Information System (INIS)

    Wright, J.S.; Kruus, E.

    1986-01-01

    The utility of midbond functions in molecular calculations was tested in two cases where the correct results are known: the H 2 potential curve and the collinear H 3 potential surface. For H 2 , a variety of basis sets both with and without bond functions was compared to the exact nonrelativistic potential curve of Kolos and Wolniewicz [J. Chem. Phys. 43, 2429 (1965)]. It was found that optimally balanced basis sets at two levels of quality were the double zeta single polarization plus sp bond function basis (BF1) and the triple zeta double polarization plus two sets of sp bond function basis (BF2). These gave bond dissociation energies D/sub e/ = 4.7341 and 4.7368 eV, respectively (expt. 4.7477 eV). Four basis sets were tested for basis set superposition errors, which were found to be small relative to basis set incompleteness and therefore did not affect any conclusions regarding basis set balance. Basis sets BF1 and BF2 were used to construct potential surfaces for collinear H 3 , along with the corresponding basis sets DZ*P and TZ*PP which contain no bond functions. Barrier heights of 12.52, 10.37, 10.06, and 9.96 kcal/mol were obtained for basis sets DZ*P, TZ*PP, BF1, and BF2, respectively, compared to an estimated limiting value of 9.60 kcal/mol. Difference maps, force constants, and relative rms deviations show that the bond functions improve the surface shape as well as the barrier height

  1. Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks

    International Nuclear Information System (INIS)

    Kolb, Brian; Zhao, Bin; Guo, Hua; Li, Jun; Jiang, Bin

    2016-01-01

    The applicability and accuracy of the Behler-Parrinello atomistic neural network method for fitting reactive potential energy surfaces is critically examined in three systems, H + H 2 → H 2 + H, H + H 2 O → H 2 + OH, and H + CH 4 → H 2 + CH 3 . A pragmatic Monte Carlo method is proposed to make efficient choice of the atom-centered mapping functions. The accuracy of the potential energy surfaces is not only tested by fitting errors but also validated by direct comparison in dynamically important regions and by quantum scattering calculations. Our results suggest this method is both accurate and efficient in representing multidimensional potential energy surfaces even when dissociation continua are involved.

  2. Conduction abnormalities in the right ventricular outflow tract in Brugada syndrome detected body surface potential mapping.

    Science.gov (United States)

    Guillem, Maria S; Climent, Andreu M; Millet, Jose; Berne, Paola; Ramos, Rafael; Brugada, Josep; Brugada, Ramon

    2010-01-01

    Brugada syndrome (BrS) causes sudden death in patients with structurally normal hearts. Manifestation of BrS in the ECG is dynamical and most patients do not show unequivocal signs of the syndrome during ECG screening. We have obtained 67-lead body surface potential mapping recordings of 25 patients with BrS and analyzed their spatial distribution of surface potentials during ventricular activation. Six patients presented spontaneous type I ECGs during the recording. These patients showed non-dipolarities in isopotential maps at the right ventricular outflow tract (RVOT) region during the development of terminal R waves in right precordial leads. Same finding was observed in 95% of BrS patients not presenting a type I ECG. Conduction delay in the RVOT may be a consistent finding in BrS patients that can be identified by Body Surface Potential Mapping.

  3. Electric Field and Potential Distributions along Surface of Silicone Rubber Polymer Insulators Using Finite Element Method

    OpenAIRE

    B. Marungsri; W. Onchantuek; A. Oonsivilai

    2008-01-01

    This paper presents the simulation the results of electric field and potential distributions along surface of silicone rubber polymer insulators. Near the same leakage distance subjected to 15 kV in 50 cycle salt fog ageing test, alternate sheds silicone rubber polymer insulator showed better contamination performance than straight sheds silicone rubber polymer insulator. Severe surface ageing was observed on the straight sheds insulator. The objective of this work is to ...

  4. TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models.

    Science.gov (United States)

    Yao, Zhi-Jiang; Dong, Jie; Che, Yu-Jing; Zhu, Min-Feng; Wen, Ming; Wang, Ning-Ning; Wang, Shan; Lu, Ai-Ping; Cao, Dong-Sheng

    2016-05-01

    Drug-target interactions (DTIs) are central to current drug discovery processes and public health fields. Analyzing the DTI profiling of the drugs helps to infer drug indications, adverse drug reactions, drug-drug interactions, and drug mode of actions. Therefore, it is of high importance to reliably and fast predict DTI profiling of the drugs on a genome-scale level. Here, we develop the TargetNet server, which can make real-time DTI predictions based only on molecular structures, following the spirit of multi-target SAR methodology. Naïve Bayes models together with various molecular fingerprints were employed to construct prediction models. Ensemble learning from these fingerprints was also provided to improve the prediction ability. When the user submits a molecule, the server will predict the activity of the user's molecule across 623 human proteins by the established high quality SAR model, thus generating a DTI profiling that can be used as a feature vector of chemicals for wide applications. The 623 SAR models related to 623 human proteins were strictly evaluated and validated by several model validation strategies, resulting in the AUC scores of 75-100 %. We applied the generated DTI profiling to successfully predict potential targets, toxicity classification, drug-drug interactions, and drug mode of action, which sufficiently demonstrated the wide application value of the potential DTI profiling. The TargetNet webserver is designed based on the Django framework in Python, and is freely accessible at http://targetnet.scbdd.com .

  5. TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models

    Science.gov (United States)

    Yao, Zhi-Jiang; Dong, Jie; Che, Yu-Jing; Zhu, Min-Feng; Wen, Ming; Wang, Ning-Ning; Wang, Shan; Lu, Ai-Ping; Cao, Dong-Sheng

    2016-05-01

    Drug-target interactions (DTIs) are central to current drug discovery processes and public health fields. Analyzing the DTI profiling of the drugs helps to infer drug indications, adverse drug reactions, drug-drug interactions, and drug mode of actions. Therefore, it is of high importance to reliably and fast predict DTI profiling of the drugs on a genome-scale level. Here, we develop the TargetNet server, which can make real-time DTI predictions based only on molecular structures, following the spirit of multi-target SAR methodology. Naïve Bayes models together with various molecular fingerprints were employed to construct prediction models. Ensemble learning from these fingerprints was also provided to improve the prediction ability. When the user submits a molecule, the server will predict the activity of the user's molecule across 623 human proteins by the established high quality SAR model, thus generating a DTI profiling that can be used as a feature vector of chemicals for wide applications. The 623 SAR models related to 623 human proteins were strictly evaluated and validated by several model validation strategies, resulting in the AUC scores of 75-100 %. We applied the generated DTI profiling to successfully predict potential targets, toxicity classification, drug-drug interactions, and drug mode of action, which sufficiently demonstrated the wide application value of the potential DTI profiling. The TargetNet webserver is designed based on the Django framework in Python, and is freely accessible at http://targetnet.scbdd.com.

  6. Image potential resonances of the aluminum (100) surface; Bildpotentialresonanzen der Aluminium-(100)-Oberflaeche

    Energy Technology Data Exchange (ETDEWEB)

    Winter, Matthias

    2011-07-08

    Image-potential resonances on the (100) surface of pure Aluminum are investigated experimentally and theoretically. The experiments are conducted both energy- and time-resolved using the method of two-photon photoemission spectroscopy. The main attention of the theoretical examination and extensive numerical calculations is devoted to the interaction between surface and bulk states. Image-potential resonances on Al(100) are a system in which a complete series of discrete Rydberg states strongly couples to a continuum of states. As a simple metal it also provides a good opportunity to test theoretical models of the structure of the potential at metal surfaces. This work represents the first high-resolution investigation of image-potential resonances with such strong resonance character. For the first time, it is demonstrated experimentally that isolated image-potential resonances exist on an Aluminum surface. On the (100) surface of Aluminum the second through fifth image-potential resonance are resolved and both, their energies and lifetimes are measured. The binding energies of the image-potential resonances form a Rydberg series of states {epsilon}{sub n}=-(0,85 eV)/((n+a){sup 2}). Within the accuracy of the measurement it is not necessary to introduce a quantum defect a (a=0.022{+-}0.035). Using angle-resolved two-photon photoemission spectroscopy the effective mass of electrons in the second image-potential resonance is measured to 1.01{+-}0.11 electron masses. The lifetimes of the resonances increase as {tau}{sub n} = (1.0{+-}0.2)fs.n{sup 3} starting from n=2. Calculations using the density matrix formalism show that the experimentally observed lifetimes can be explained well by electrons decaying into the bulk. The effect of resonance trapping leads to extended lifetimes in the process. Contrary to common theoretical models of image-potential states at metal surfaces the first image-potential resonance cannot be observed in two-photon photoemission on Al(100

  7. Single-ion and pair-interaction potentials near simple metal surfaces

    International Nuclear Information System (INIS)

    Barnett, R.N.; Barrera, R.G.; Cleveland, C.L.; Landman, U.

    1983-01-01

    Presented is a model for semi-infinite simple metals which does not require crystalline order or a single species, and thus is applicable to problems of defect energetics near the surface and random-alloy surfaces as well as ideal metal surfaces. The formulation is based on the use of ionic pseudopotentials and linear-response theory. An expression for the total energy is obtained which depends explicitly on ionic species and position. This expression is decomposed into a density-dependent term and single-ion and ionic pair-interaction potential terms. The single-ion potentials oscillate about a constant bulk value, with the magnitude of the oscillation decreasing rapidly away from the surface. The interaction between pairs of ions near the surface is shown to be a noncentral force interaction which differs significantly from the central-force bulk pair potential. The effect of quantum interference in the response of the semi-infinite electron gas to the ions is seen in both the single-ion and the pair-interaction potentials. Results are presented for the simple metals sodium, potassium, and rubidium

  8. A many-body embedded atom potential for describing ejection of atoms from surfaces

    International Nuclear Information System (INIS)

    Garrison, B.J.; Walzl, K.; El-Maazawi, M.; Winograd, N.; Reimann, C.T.; Deaven, D.M.

    1989-01-01

    In this paper, we show that many-body interactions are important for describing the energy- and angle-resolved distributions of neutral Rh atoms ejected from keV-ion-bombarded Rh{111}. We compare separate classical-dynamics simulations of the sputtering process assuming either a many-body potential or a pairwise additive potential. The most dramatic difference between the many-body potential and the pair potential is the predicted kinetic energy distributions. The pair-potential kinetic energy distribution peaks at ∼ 2 eV, whereas the many-body potential predicts a broader peak at ∼ 4 eV, giving much better agreement with experiment. This difference between the model potentials is due to the predicted nature of the attractive interaction in the surface region through which all ejecting particles pass. (author)

  9. Single-cell gene-expression profiling and its potential diagnostic applications

    Czech Academy of Sciences Publication Activity Database

    Stahlberg, A.; Kubista, Mikael; Aman, P.

    2011-01-01

    Roč. 11, č. 7 (2011), s. 735-740 ISSN 1473-7159 R&D Projects: GA ČR(CZ) GAP303/10/1338; GA ČR(CZ) GA301/09/1752 Institutional research plan: CEZ:AV0Z50520701 Keywords : gene-expression profiling * RT-qPCR * single-cell gene-expression profiling Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 4.859, year: 2011

  10. Limitations in SELDI-TOF MS whole serum proteomic profiling with IMAC surface to specifically detect colorectal cancer

    International Nuclear Information System (INIS)

    Wang, Qi; Gu, Jin; Shen, Jing; Li, Zhen-fu; Jie, Jian-zheng; Wang, Wen-yue; Wang, Jin; Zhang, Zhong-tao; Li, Zhi-xia; Yan, Li

    2009-01-01

    Surface enhanced laser desorption and ionization time-of-flight mass spectrometry (SELDI-TOF-MS) analysis on serum samples was reported to be able to detect colorectal cancer (CRC) from normal or control patients. We carried out a validation study of a SELDI-TOF MS approach with IMAC surface sample processing to identify CRC. A retrospective cohort of 338 serum samples including 154 CRCs, 67 control cancers and 117 non-cancerous conditions was profiled using SELDI-TOF-MS. No CRC 'specific' classifier was found. However, a classifier consisting of two protein peaks separates cancer from non-cancerous conditions with high accuracy. In this study, the SELDI-TOF-MS-based protein expression profiling approach did not perform to identify CRC. However, this technique is promising in distinguishing patients with cancer from a non-cancerous population; it may be useful for monitoring recurrence of CRC after treatment

  11. Rheologic Profile, Specific Gravity, Surface Tension, and pH of Fifteen Over-the-Counter Preparations.

    Science.gov (United States)

    Al-Achi, Antoine; Baghat, Tushar; Chukwubeze, Onah; Dembla, Ishwin

    2007-01-01

    Knowledge of the physical characteristics of commercially available over-the-counter preparations can aid the compounding pharmacist in preparing medication. In this study, 15 over-the-counter products were studied with regard to their specific gravity, surface tension, pH, and rheologic profile. The specific gravities of all the products were greater than 1, with the exceptions of Nivea Lotion and rubbing alcohol, which were less than 1. The majority of the products had an acidic pH. With the exception of two products, Citrucel and Chloraseptic, all products demonstrated a surface tension value less than that of water (72.8 dynes/cm). Chloraseptic had the lowest Newtonian viscosity (1.27 cPs), whereas Vicks DayQuil had the highest (098.86 cPs). Citrucel exhibited dilatant-type flow; Suave Shampoo, herbal shampoo, Tangerine Tickle Herbal Shampoo, and Metamucil pseudoplastic flow; the remaining non-Newtonian formulations, plastic flow profiles.

  12. Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry.

    Science.gov (United States)

    Wehmeyer, Christoph; Falk von Rudorff, Guido; Wolf, Sebastian; Kabbe, Gabriel; Schärf, Daniel; Kühne, Thomas D; Sebastiani, Daniel

    2012-11-21

    We present a stochastic, swarm intelligence-based optimization algorithm for the prediction of global minima on potential energy surfaces of molecular cluster structures. Our optimization approach is a modification of the artificial bee colony (ABC) algorithm which is inspired by the foraging behavior of honey bees. We apply our modified ABC algorithm to the problem of global geometry optimization of molecular cluster structures and show its performance for clusters with 2-57 particles and different interatomic interaction potentials.

  13. Potential of accuracy profile for method validation in inductively coupled plasma spectrochemistry

    International Nuclear Information System (INIS)

    Mermet, J.M.; Granier, G.

    2012-01-01

    Method validation is usually performed over a range of concentrations for which analytical criteria must be verified. One important criterion in quantitative analysis is accuracy, i.e. the contribution of both trueness and precision. The study of accuracy over this range is called an accuracy profile and provides experimental tolerance intervals. Comparison with acceptability limits fixed by the end user defines a validity domain. This work describes the computation involved in the building of the tolerance intervals, particularly for the intermediate precision with within-laboratory experiments and for the reproducibility with interlaboratory studies. Computation is based on ISO 5725‐4 and on previously published work. Moreover, the bias uncertainty is also computed to verify the bias contribution to accuracy. The various types of accuracy profile behavior are exemplified with results obtained by using ICP-MS and ICP-AES. This procedure allows the analyst to define unambiguously a validity domain for a given accuracy. However, because the experiments are time-consuming, the accuracy profile method is mainly dedicated to method validation. - Highlights: ► An analytical method is defined by its accuracy, i.e. both trueness and precision. ► The accuracy as a function of an analyte concentration is an accuracy profile. ► Profile basic concepts are explained for trueness and intermediate precision. ► Profile-based tolerance intervals have to be compared with acceptability limits. ► Typical accuracy profiles are given for both ICP-AES and ICP-MS techniques.

  14. Toward accurate prediction of potential energy surfaces and the spectral density of hydrogen bonded systems

    International Nuclear Information System (INIS)

    Rekik, Najeh

    2014-01-01

    Despite the considerable progress made in quantum theory and computational methods, detailed descriptions of the potential energy surfaces of hydrogen-bonded systems have not yet been achieved. In addition, the hydrogen bond (H-bond) itself is still so poorly understood at the fundamental level that it remains unclear exactly what geometry constitutes a “real” H-bond. Therefore, in order to investigate features essential for hydrogen bonded complexes, a simple, efficient, and general method for calculating matrix elements of vibrational operators capable of describing the stretching modes and the H-bond bridges of hydrogen-bonded systems is proposed. The derived matrix elements are simple and computationally easy to evaluate, which makes the method suitable for vibrational studies of multiple-well potentials. The method is illustrated by obtaining potential energy surfaces for a number of two-dimensional systems with repulsive potentials chosen to be in Gaussian form for the stretching mode and of the Morse-type for the H-bond bridge dynamics. The forms of potential energy surfaces of weak and strong hydrogen bonds are analyzed by varying the asymmetry of the Gaussian potential. Moreover, the choice and applicability of the selected potential for the stretching mode and comparison with other potentials used in the area of hydrogen bond research are discussed. The approach for the determination of spectral density has been constructed in the framework of the linear response theory for which spectral density is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode. The approach involves anharmonic coupling between the high frequency stretching vibration (double well potential) and low-frequency donor-acceptor stretching mode (Morse potential) as well as the electrical anharmonicity of the dipole moment operator of the fast mode. A direct relaxation mechanism is incorporated through a time decaying exponential

  15. Potential and Kinetic Electron Emissions from HOPG Surface Irradiated by Highly Charged Xenon and Neon Ions

    International Nuclear Information System (INIS)

    Yu-Yu, Wang; Yong-Tao, Zhao; Jian-Rong, Sun; De-Hui, Li; Jin-Yu, Li; Ping-Zhi, Wang; Guo-Qing, Xiao; Abdul, Qayyum

    2011-01-01

    Highly charged 129 Xe q+ (q = 10−30) and 40 Ne q+ (q = 4−8) ion-induced secondary electron emissions on the surface of highly oriented pyrolytic graphite (HOPG) are reported. The total secondary electron yield is measured as a function of the potential energy of incident ions. The experimental data are used to separate contributions of kinetic and potential electron yields. Our results show that about 4.5% and 13.2% of ion's potential energies are consumed in potential electron emission due to different Xe q+ -HOPG and Ne q+ -HOPG combinations. A simple formula is introduced to estimate the fraction of ion's potential energy for potential electron emission. (atomic and molecular physics)

  16. Weathering Profiles in Phosphorus-Rich Rocks at Gusev Crater, Mars, Suggest Dissolution of Phosphate Minerals into Potentially Habitable Near-Neutral Waters.

    Science.gov (United States)

    Adcock, Christopher T; Hausrath, Elisabeth M

    2015-12-01

    Abundant evidence indicates that significant surface and near-surface liquid water has existed on Mars in the past. Evaluating the potential for habitable environments on Mars requires an understanding of the chemical and physical conditions that prevailed in such aqueous environments. Among the geological features that may hold evidence of past environmental conditions on Mars are weathering profiles, such as those in the phosphorus-rich Wishstone-class rocks in Gusev Crater. The weathering profiles in these rocks indicate that a Ca-phosphate mineral has been lost during past aqueous interactions. The high phosphorus content of these rocks and potential release of phosphorus during aqueous interactions also make them of astrobiological interest, as phosphorus is among the elements required for all known life. In this work, we used Mars mission data, laboratory-derived kinetic and thermodynamic data, and data from terrestrial analogues, including phosphorus-rich basalts from Idaho, to model a conceptualized Wishstone-class rock using the reactive transport code CrunchFlow. Modeling results most consistent with the weathering profiles in Wishstone-class rocks suggest a combination of chemical and physical erosion and past aqueous interactions with near-neutral waters. The modeling results also indicate that multiple Ca-phosphate minerals are likely in Wishstone-class rocks, consistent with observations of martian meteorites. These findings suggest that Gusev Crater experienced a near-neutral phosphate-bearing aqueous environment that may have been conducive to life on Mars in the past. Mars-Gusev Crater-Wishstone-Reactive transport modeling-CrunchFlow-Aqueous interactions-Neutral pH-Habitability.

  17. Study of surface potential contamination in radioisotope and radiopharmaceutical production facilities and alternative solutions

    International Nuclear Information System (INIS)

    Suhaedi Muhammad; Rimin Sumantri; Farida Tusafariah; Djarwanti Rahayu Pipin Soedjarwo

    2013-01-01

    Radioisotope and radiopharmaceutical production facilities that exist in their operations around the world in the form of radiological impacts of radiation exposure, contamination of surface and air contamination. Given the number of existing open source in radioisotope and radiopharmaceutical production facility, then the possibility of surface contamination in the work area is quite high. For that to protect the safety and health of both workers, the public and the environment, then the licensee must conduct an inventory of some of the potential that could result in contamination of surfaces in radioisotope and radiopharmaceutical production facilities. Several potential to cause surface contamination in radioisotope and radiopharmaceutical production facilities consist of loss of resources, the VAC system disorders, impaired production facilities, limited resources and lack of work discipline and radioactive waste handling activities. From the study of some potential, there are several alternative solutions that can be implemented by the licensee to address the contamination of the surface so as not to cause adverse radiological impacts for both radiation workers, the public or the environment. (author)

  18. Cold-neutron depth profiling as a research tool for the study of surface oxides on metals

    International Nuclear Information System (INIS)

    Tun, Z.; Bohdanowicz, T.

    2009-01-01

    Full text: The shiny surface of most metals, with the exceptions of gold and platinum, is actually coated with a thin layer of oxide. Although typically only a few nanometres (nm) thick, the oxide layer is key for the metal's survival in our 02-containing atmosphere. Consequently, there is a continuing need to develop experimental techniques to study oxide layers on metals. The need for a technique that could track the movement of an oxygen-containing layer first came to our attention when we studied the growth of anodic oxide on Ti with neutron reflectometry. As new oxide grew with oxygen ions derived from an aqueous solution, a small amount of hydrogen was found to be incorporated into the oxide layer, and remained adjacent to the oxide/water interface. Whether the H remains attached to its companion 0, i.e., as an OH ion, or if the ion dissociates once inside the oxide layer is unknown. Whether the original air-grown oxide acts as a passive screen during anodization, or if it plays an active in the hopping of ions from site to site is also unknown. These questions could be answered unambiguously only if we can somehow label the original 0 atoms. Isotopic labeling combined with neutron scattering is not an option since the coherent scattering lengths of all three 0 isotopes are very similar. Fortunately, one of the isotopes, 170, is sensitive to neutron depth-profiling via the (n,a) reaction (1). We hereby report encouraging results obtained by a preliminary experiment carried out to assess the potential of this technique.

  19. Lunar Surface Electric Potential Changes Associated with Traversals through the Earth's Foreshock

    Science.gov (United States)

    Collier, Michael R.; Hills, H. Kent; Stubbs, Timothy J.; Halekas, Jasper S.; Delory, Gregory T.; Espley, Jared; Farrell, William M.; Freeman, John W.; Vondrak, Richard

    2011-01-01

    We report an analysis of one year of Suprathermal Ion Detector Experiment (SIDE) Total Ion Detector (TID) resonance events observed between January 1972 and January 1973. The study includes only those events during which upstream solar wind conditions were readily available. The analysis shows that these events are associated with lunar traversals through the dawn flank of the terrestrial magnetospheric bow shock. We propose that the events result from an increase in lunar surface electric potential effected by secondary electron emission due to primary electrons in the Earth's foreshock region (although primary ions may play a role as well). This work establishes (1) the lunar surface potential changes as the Moon moves through the terrestrial bow shock, (2) the lunar surface achieves potentials in the upstream foreshock region that differ from those in the downstream magnetosheath region, (3) these differences can be explained by the presence of energetic electron beams in the upstream foreshock region and (4) if this explanation is correct, the location of the Moon with respect to the terrestrial bow shock influences lunar surface potential.

  20. Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum

    DEFF Research Database (Denmark)

    Cybulski, Hubert; Fernandez, Berta; Henriksen, Christian

    2012-01-01

    We evaluate the phenylacetylene-argon intermolecular potential energy surface by fitting a representative number of ab initio interaction energies to an analytic function. These energies are calculated at a grid of intermolecular geometries, using the CCSD(T) method and the aug-cc-pVDZ basis set ...... Institute of Physics. [http://dx.doi.org/10.1063/1.4742153]...

  1. Dipyridamole Body Surface Potential Mapping: Noninvasive Differentiation of Syndrome X from Coronary Artery Disease

    Czech Academy of Sciences Publication Activity Database

    Boudík, F.; Anger, Z.; Aschermann, M.; Vojáček, J.; Tomečková, Marie

    2002-01-01

    Roč. 35, č. 3 (2002), s. 181-191 ISSN 0022-0736 R&D Projects: GA MZd IZ4038 Keywords : body surface potential mapping * dipyridamole * coronary artery disease * syndrome X Subject RIV: BD - Theory of Information Impact factor: 0.599, year: 2002

  2. Nanoscale surface potential imaging of the photocatalytic TiO2 films on aluminum

    DEFF Research Database (Denmark)

    Daviðsdóttir, Svava; Dirscherl, Kai; Canulescu, Stela

    2013-01-01

    The change in the surface potential of TiO2 coatings upon UV-illumination was investigated on the nanoscale using Scanning Kelvin Probe Force microscopy and on the micro-scale using photo-electrochemical measurements. A good correlation between the two techniques was obtained. The changes in the ...

  3. A new analytical potential energy surface for the adsorption systemk CO/Cu(100)

    NARCIS (Netherlands)

    Marquardt, R.; Cuvelier, F.; Olsen, R.A.; Baerends, E.J.; Tremblay, J.C.; Saalfrank, P.

    2010-01-01

    Electronic structure data and analytical representations of the potential energy surface for the adsorption of carbon monoxide on a crystalline copper Cu(100) substrate are reviewed. It is found that a previously published and widely used analytical hypersurface for this process [J. C. Tully, M.

  4. Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex

    NARCIS (Netherlands)

    Avoird, A. van der; Pedersen, T.B.; Dhont, G.S.F.; Fernandez, B.; Koch, H.

    2006-01-01

    A four-dimensional intermolecular potential-energy surface has been calculated for the HCN-HCl complex, with the use of the coupled cluster method with single and double excitations and noniterative inclusion of triples. Data for more than 13 000 geometries were represented by an angular expansion

  5. Intrinsic Charge Trapping Observed as Surface Potential Variations in diF-TES-ADT Films.

    Science.gov (United States)

    Hoffman, Benjamin C; McAfee, Terry; Conrad, Brad R; Loth, Marsha A; Anthony, John E; Ade, Harald W; Dougherty, Daniel B

    2016-08-24

    Spatial variations in surface potential are measured with Kelvin probe force microscopy for thin films of 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophenes (diF-TES-ADT) grown on SiO2 and silane-treated SiO2 substrates by organic molecular beam deposition. The variations are observed both between and within grains of the polycrystalline organic film and are quantitatively different than electrostatic variations on the substrate surfaces. The skewness of surface potential distributions is larger on SiO2 than on HMDS-treated substrates. This observation is attributed to the impact of substrate functionalization on minimizing intrinsic crystallographic defects in the organic film that can trap charge.

  6. Impact of organic overlayers on a-Si:H/c-Si surface potential

    KAUST Repository

    Seif, Johannes P.

    2017-04-11

    Bilayers of intrinsic and doped hydrogenated amorphous silicon, deposited on crystalline silicon (c-Si) surfaces, simultaneously provide contact passivation and carrier collection in silicon heterojunction solar cells. Recently, we have shown that the presence of overlaying transparent conductive oxides can significantly affect the c-Si surface potential induced by these amorphous silicon stacks. Specifically, deposition on the hole-collecting bilayers can result in an undesired weakening of contact passivation, thereby lowering the achievable fill factor in a finished device. We test here a variety of organic semiconductors of different doping levels, overlaying hydrogenated amorphous silicon layers and silicon-based hole collectors, to mitigate this effect. We find that these materials enhance the c-Si surface potential, leading to increased implied fill factors. This opens opportunities for improved device performance.

  7. AFM-assisted fabrication of thiol SAM pattern with alternating quantified surface potential

    Directory of Open Access Journals (Sweden)

    Simons Janet

    2011-01-01

    Full Text Available Abstract Thiol self-assembled monolayers (SAMs are widely used in many nano- and bio-technology applications. We report a new approach to create and characterize a thiol SAMs micropattern with alternating charges on a flat gold-coated substrate using atomic force microscopy (AFM and Kelvin probe force microscopy (KPFM. We produced SAMs-patterns made of alternating positively charged, negatively charged, and hydrophobic-terminated thiols by an automated AFM-assisted manipulation, or nanografting. We show that these thiol patterns possess only small topographical differences as revealed by AFM, and distinguished differences in surface potential (20-50 mV, revealed by KPFM. The pattern can be helpful in the development of biosensor technologies, specifically for selective binding of biomolecules based on charge and hydrophobicity, and serve as a model for creating surfaces with quantified alternating surface potential distribution.

  8. Modelling of composition and stress profiles in low temperature surface engineered stainless steel

    DEFF Research Database (Denmark)

    Jespersen, Freja Nygaard; Hattel, Jesper Henri; Somers, Marcel A. J.

    2015-01-01

    Thermochemical surface engineering by nitriding/carburizing of stainless steel causes a surface zone of expanded austenite, which improves the wear resistance of the stainless steel while preserving the stainless behavior. As a consequence of the thermochemical surface engineering, huge residual ...

  9. Potential dependence of surface crystal structure of iron passive films in borate buffer solution

    International Nuclear Information System (INIS)

    Deng, Huihua; Nanjo, Hiroshi; Qian, Pu; Santosa, Arifin; Ishikawa, Ikuo; Kurata, Yoshiaki

    2007-01-01

    The effect of passivation potential on surface crystal structure, apparent thickness and passivity of oxide films formed on pure iron prepared by plasma sputter deposition was investigated. The crystallinity was improved with passivation potential and the width of atomically flat terraces was expanded to 6 nm when passivating at 750 mV for 15 min, as observed by ex situ scanning tunneling microscopy (STM) after aging in air (<30% RH). Apparent thickness and passivity are linearly dependent on passivation potential. The former weakly depends on passivation duration, the latter strongly depends on passivation duration. This is well explained by the correlation between crystal structure and passivity

  10. Refined potentials for rare gas atom adsorption on rare gas and alkali-halide surfaces

    Science.gov (United States)

    Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

    1985-01-01

    The utilization of models of interatomic potential for physical interaction to estimate the long range attractive potential for rare gases and ions is discussed. The long range attractive force is calculated in terms of the atomic dispersion properties. A data base of atomic dispersion parameters for rare gas atoms, alkali ion, and halogen ions is applied to the study of the repulsive core; the procedure for evaluating the repulsive core of ion interactions is described. The interaction of rare gas atoms on ideal rare gas solid and alkali-halide surfaces is analyzed; zero coverage absorption potentials are derived.

  11. MicroRNA profiling of antler stem cells in potentiated and dormant states and their potential roles in antler regeneration.

    Science.gov (United States)

    Ba, Hengxing; Wang, Datao; Li, Chunyi

    2016-04-01

    MicroRNAs (miRNAs) can effectively regulate gene expression at the post-transcriptional level and play a critical role in tissue growth, development and regeneration. Our previous studies showed that antler regeneration is a stem cell-based process and antler stem cells reside in the periosteum of a pedicle, the permanent bony protuberance, from which antler regeneration takes place. Antlers are the only mammalian organ that can fully regenerate and hence provide a unique opportunity to identify miRNAs that are involved in organ regeneration. In the present study, we used next generation sequencing technology sequenced miRNAs of the stem cells derived from either the potentiated or the dormant pedicle periosteum. A population of both conserved and 20 deer-specific miRNAs was identified. These conserved miRNAs were derived from 453 homologous hairpin precursors across 88 animal species, and were further grouped into 167 miRNA families. Among them, the miR-296 is embryonic stem cell-specific. The potentiation process resulted in the significant regulation (>±2 Fold, q value cell potentiation process. This research has identified miRNAs that are associated either with the dormant or the potentiated antler stem cells and identified some target miRNAs for further research into their role played in mammalian organ regeneration.

  12. Probabilistic nowcast of PBL profiles with a single column model and ensemble filter assimilation of surface observations

    Science.gov (United States)

    Rostkier-Edelstein, D.; Hacker, J. P.

    2009-09-01

    A long-term goal of this work is to find an efficient system for probabilistic planetary boundary layer (PBL) nowcasting that can be deployed wherever surface observations are present. One approach showing promise is the use of a single column model (SCM) and ensemble filter (EF) data assimilation techniques. Earlier work showed that surface observations can be an important source of information with an SCM and an EF. Here we extend that work to quantify the deterministic and probabilistic skill of ensemble SCM predictions with added complexity. Although it is appealing to add additional physics and dynamics to the SCM model it is not immediately clear that additional complexity will improve the performance of a PBL nowcasting system based on a simple model. We address this question with regard to treatment of surface assimilation, radiation in the column, and also advection to account for realistic 3D dynamics (a timely WRF prediction). We adopt factor separation analysis to quantify the individual contribution of each model component to the deterministic and probabilistic skill of the system, as well as any beneficial or detrimental interactions between them. Deterministic skill of the system is evaluated through the mean absolute error, and probabilistic skill through the Brier Skill Score (BSS) and the area under the relative operating characteristic (ROC) curve (AUR). The BSS is further decomposed into both a reliability and resolution term to understand the trade-offs in different components of probabilistic skill. An alternative system based on climatological covariances and surface observations is used as a reference to assess the real utility of the flow-dependent covariances estimated with the ensemble system. In essence it is a dressing technique, whereby a deterministic 3D mesoscale forecast (e.g. WRF) is corrected with surface forecast errors and covariances computed from a distribution of available historical mesoscale forecasts. The adjusted profile

  13. Evaluation of surface charge density and surface potential by electrophoretic mobility for solid lipid nanoparticles and human brain-microvascular endothelial cells.

    Science.gov (United States)

    Kuo, Yung-Chih; Chen, I-Chun

    2007-09-27

    Electrophoretic mobility, zeta potential, surface charge density, and surface potential of cacao butter-based solid lipid nanoparticles (SLN) and human brain-microvascular endothelial cells (HBMEC) were analyzed in this study. Electrophoretic mobility and zeta potential were determined experimentally. Surface charge density and surface potential were evaluated theoretically via incorporation of ion condensation theory with the relationship between surface charge density and surface potential. The results revealed that the lower the pH value, the weaker the electrostatic properties of the negatively charged SLN and HBMEC. A higher content of cacao butter or a slower stirring rate yielded a larger SLN and stronger surface electricity. On the contrary, storage led to instability of SLN suspension and weaker electrical behavior because of hydrolysis of ionogenic groups on the particle surfaces. Also, high H+ concentration resulted in excess adsorption of H+ onto HBMEC, rendering charge reversal and cell death. The largest normalized discrepancy between surface potential and zeta potential occurred at pH = 7. For a fixed biocolloidal species, the discrepancy was nearly invariant at high pH value. However, the discrepancy followed the order of electrical intensity for HBMEC system at low pH value because mammalian cells were sensitive to H+. The present study provided a practical method to obtain surface charge properties by capillary electrophoresis.

  14. Cell surface profiling using high-throughput flow cytometry: a platform for biomarker discovery and analysis of cellular heterogeneity.

    Directory of Open Access Journals (Sweden)

    Craig A Gedye

    Full Text Available Cell surface proteins have a wide range of biological functions, and are often used as lineage-specific markers. Antibodies that recognize cell surface antigens are widely used as research tools, diagnostic markers, and even therapeutic agents. The ability to obtain broad cell surface protein profiles would thus be of great value in a wide range of fields. There are however currently few available methods for high-throughput analysis of large numbers of cell surface proteins. We describe here a high-throughput flow cytometry (HT-FC platform for rapid analysis of 363 cell surface antigens. Here we demonstrate that HT-FC provides reproducible results, and use the platform to identify cell surface antigens that are influenced by common cell preparation methods. We show that multiple populations within complex samples such as primary tumors can be simultaneously analyzed by co-staining of cells with lineage-specific antibodies, allowing unprecedented depth of analysis of heterogeneous cell populations. Furthermore, standard informatics methods can be used to visualize, cluster and downsample HT-FC data to reveal novel signatures and biomarkers. We show that the cell surface profile provides sufficient molecular information to classify samples from different cancers and tissue types into biologically relevant clusters using unsupervised hierarchical clustering. Finally, we describe the identification of a candidate lineage marker and its subsequent validation. In summary, HT-FC combines the advantages of a high-throughput screen with a detection method that is sensitive, quantitative, highly reproducible, and allows in-depth analysis of heterogeneous samples. The use of commercially available antibodies means that high quality reagents are immediately available for follow-up studies. HT-FC has a wide range of applications, including biomarker discovery, molecular classification of cancers, or identification of novel lineage specific or stem cell

  15. Cell surface profiling using high-throughput flow cytometry: a platform for biomarker discovery and analysis of cellular heterogeneity.

    Science.gov (United States)

    Gedye, Craig A; Hussain, Ali; Paterson, Joshua; Smrke, Alannah; Saini, Harleen; Sirskyj, Danylo; Pereira, Keira; Lobo, Nazleen; Stewart, Jocelyn; Go, Christopher; Ho, Jenny; Medrano, Mauricio; Hyatt, Elzbieta; Yuan, Julie; Lauriault, Stevan; Meyer, Mona; Kondratyev, Maria; van den Beucken, Twan; Jewett, Michael; Dirks, Peter; Guidos, Cynthia J; Danska, Jayne; Wang, Jean; Wouters, Bradly; Neel, Benjamin; Rottapel, Robert; Ailles, Laurie E

    2014-01-01

    Cell surface proteins have a wide range of biological functions, and are often used as lineage-specific markers. Antibodies that recognize cell surface antigens are widely used as research tools, diagnostic markers, and even therapeutic agents. The ability to obtain broad cell surface protein profiles would thus be of great value in a wide range of fields. There are however currently few available methods for high-throughput analysis of large numbers of cell surface proteins. We describe here a high-throughput flow cytometry (HT-FC) platform for rapid analysis of 363 cell surface antigens. Here we demonstrate that HT-FC provides reproducible results, and use the platform to identify cell surface antigens that are influenced by common cell preparation methods. We show that multiple populations within complex samples such as primary tumors can be simultaneously analyzed by co-staining of cells with lineage-specific antibodies, allowing unprecedented depth of analysis of heterogeneous cell populations. Furthermore, standard informatics methods can be used to visualize, cluster and downsample HT-FC data to reveal novel signatures and biomarkers. We show that the cell surface profile provides sufficient molecular information to classify samples from different cancers and tissue types into biologically relevant clusters using unsupervised hierarchical clustering. Finally, we describe the identification of a candidate lineage marker and its subsequent validation. In summary, HT-FC combines the advantages of a high-throughput screen with a detection method that is sensitive, quantitative, highly reproducible, and allows in-depth analysis of heterogeneous samples. The use of commercially available antibodies means that high quality reagents are immediately available for follow-up studies. HT-FC has a wide range of applications, including biomarker discovery, molecular classification of cancers, or identification of novel lineage specific or stem cell markers.

  16. Antarctic ice shelf potentially stabilized by export of meltwater in surface river

    Science.gov (United States)

    Bell, Robin E.; Chu, Winnie; Kingslake, Jonathan; Das, Indrani; Tedesco, Marco; Tinto, Kirsty J.; Zappa, Christopher J.; Frezzotti, Massimo; Boghosian, Alexandra; Lee, Won Sang

    2017-04-01

    Meltwater stored in ponds and crevasses can weaken and fracture ice shelves, triggering their rapid disintegration. This ice-shelf collapse results in an increased flux of ice from adjacent glaciers and ice streams, thereby raising sea level globally. However, surface rivers forming on ice shelves could potentially export stored meltwater and prevent its destructive effects. Here we present evidence for persistent active drainage networks—interconnected streams, ponds and rivers—on the Nansen Ice Shelf in Antarctica that export a large fraction of the ice shelf’s meltwater into the ocean. We find that active drainage has exported water off the ice surface through waterfalls and dolines for more than a century. The surface river terminates in a 130-metre-wide waterfall that can export the entire annual surface melt over the course of seven days. During warmer melt seasons, these drainage networks adapt to changing environmental conditions by remaining active for longer and exporting more water. Similar networks are present on the ice shelf in front of Petermann Glacier, Greenland, but other systems, such as on the Larsen C and Amery Ice Shelves, retain surface water at present. The underlying reasons for export versus retention remain unclear. Nonetheless our results suggest that, in a future warming climate, surface rivers could export melt off the large ice shelves surrounding Antarctica—contrary to present Antarctic ice-sheet models, which assume that meltwater is stored on the ice surface where it triggers ice-shelf disintegration.

  17. Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard-Jones potential.

    Science.gov (United States)

    Geada, Isidro Lorenzo; Ramezani-Dakhel, Hadi; Jamil, Tariq; Sulpizi, Marialore; Heinz, Hendrik

    2018-02-19

    Metallic nanostructures have become popular for applications in therapeutics, catalysts, imaging, and gene delivery. Molecular dynamics simulations are gaining influence to predict nanostructure assembly and performance; however, instantaneous polarization effects due to induced charges in the free electron gas are not routinely included. Here we present a simple, compatible, and accurate polarizable potential for gold that consists of a Lennard-Jones potential and a harmonically coupled core-shell charge pair for every metal atom. The model reproduces the classical image potential of adsorbed ions as well as surface, bulk, and aqueous interfacial properties in excellent agreement with experiment. Induced charges affect the adsorption of ions onto gold surfaces in the gas phase at a strength similar to chemical bonds while ions and charged peptides in solution are influenced at a strength similar to intermolecular bonds. The proposed model can be applied to complex gold interfaces, electrode processes, and extended to other metals.

  18. Potential dependent adhesion forces on bare and underpotential deposition modified electrode surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Serafin, J.M.; Hsieh, S.J.; Monahan, J.; Gewirth, A.A. [Univ. of Illinois, Urbana, IL (United States)

    1998-12-03

    Adhesion force measurements are used to determine the potential dependence of the force of adhesion between a Si{sub 3}N{sub 4} cantilever and a Au(111) surface modified by the underpotential deposition (upd) of Bi or Cu in acid solution or by oxide formation. The measured work of adhesion is near zero for most of the potential region examined in Bi upd but rises after the formation of a full Bi monolayer. The work of adhesion is high at positive potentials for Cu upd but then decreases as the Cu partial and full monolayers are formed. The work of adhesion is low in the oxide region on Au(111) but rises following the sulfate disordering transition at 1.1 V vs NHE. These results are interpreted in terms of the degree of solvent order on the electrode surface.

  19. Observations of Near-Surface Heat-Flux and Temperature Profiles Through the Early Evening Transition over Contrasting Surfaces

    Science.gov (United States)

    Jensen, Derek D.; Nadeau, Daniel F.; Hoch, Sebastian W.; Pardyjak, Eric R.

    2016-06-01

    Near-surface turbulence data from the Mountain Terrain Atmospheric Modeling and Observations (MATERHORN) program are used to study countergradient heat fluxes through the early evening transition. Two sites, subjected to similar large-scale forcing, but with vastly different surface and sub-surface characteristics, are considered. The Playa site is situated at the interior of a large dry lakebed desert with high sub-surface soil moisture, shallow water table, and devoid of vegetation. The Sagebrush site is located in a desert steppe region with sparse vegetation and little soil moisture. Countergradient sensible heat fluxes are observed during the transition at both sites. The transition process is both site and height dependent. At the Sagebrush site, the countergradient flux at 5 m and below occurs when the sign change of the sensible heat flux precedes the local temperature gradient sign change. For 10 m and above, the countergradient flux occurs when the sign change of the sensible heat flux follows the local temperature gradient sign change. At the Playa site, the countergradient flux at all tower levels occurs when the sign change of the sensible heat flux follows the local temperature gradient sign change. The phenomenon is explained in terms of the mean temperature and heat-flux evolution. The temperature gradient sign reversal is a top-down process while the flux reversal occurs nearly simultaneously at all heights. The differing countergradient behaviour is primarily due to the different subsurface thermal characteristics at the two sites. The combined high volumetric heat capacity and high thermal conductivity at the Playa site lead to small vertical temperature gradients that affect the relative magnitude of terms in the heat-flux tendency equation. A critical ratio of the gradient production to buoyant production of sensible heat flux is suggested so as to predict the countergradient behaviour.

  20. Potential of Treatment-Specific Protein Biomarker Profiles for Detection of Hormone Abuse in Cattle

    NARCIS (Netherlands)

    Ludwig, S.K.J.; Smits, N.G.E.; Cannizzo, F.T.; Nielen, M.W.F.

    2013-01-01

    Targeted protein biomarker profiling is suggested as a fast screening approach for detection of illegal hormone treatment in meat production. The advantage of using biomarkers is that they mark the biological response and, thus, are responsive to a panel of substances with similar effects. In a

  1. The Profiles of Creative Potential and Personality Characteristics of Adult Professionals

    Science.gov (United States)

    Lee, Seon-Young; Min, Jiyeon

    2016-01-01

    Using 5 divergent thinking indices of the Torrance Tests of Creative Thinking and the Myers-Briggs Type Indicator, this study examined the creative profiles of 236 adult professionals and relationships between their creative characteristics and personality types. All these adults were in their middle or late stage of professional development in…

  2. Plasma Amino Acids Profiles in Children with Autism: Potential Risk of Nutritional Deficiencies.

    Science.gov (United States)

    Arnold, Georgianne L.; Hyman, Susan L.; Mooney, Robert A.; Kirby, Russell S.

    2003-01-01

    The plasma amino acid profiles of 10 children with autism on gluten and casein restricted diets and 26 on unrestricted diets were reviewed. There was a trend for the children on restricted diets to have an increased prevalence of essential amino acid deficiencies and lower plasma levels of essential acids. (Contains references.) (Author/CR)

  3. Youth Sports Clubs' Potential as Health-Promoting Setting: Profiles, Motives and Barriers

    Science.gov (United States)

    Meganck, Jeroen; Scheerder, Jeroen; Thibaut, Erik; Seghers, Jan

    2015-01-01

    Setting and Objective: For decades, the World Health Organisation has promoted settings-based health promotion, but its application to leisure settings is minimal. Focusing on organised sports as an important leisure activity, the present study had three goals: exploring the health promotion profile of youth sports clubs, identifying objective…

  4. Comparison of potential temperature gradient estimates from various temperature profile data sources

    Science.gov (United States)

    2017-01-22

    From July through September 2015, concurrent and collocated measurements of temperature profiles from two passive radiometers and a RADAR-RASS (Radio Acoustic Sounding System) were made at a site near the ocean just to the west of Los Angeles Interna...

  5. The Sickness Impact Profile: Potential Use of a Health Status Instrument for Physician Training

    Science.gov (United States)

    Martin, Diane P.; And Others

    1976-01-01

    The Sickness Impact Profile (SIP) is designed to measure health status in terms of sickness-related changes in behavior. Its content incorporates the perspectives of clinicians, patients, and the apparently healthy, and consists of 235 items. Its reliability and validity were supported in a study with both experienced physicians and residents.…

  6. Creating flat-top X-ray beams by applying surface profiles of alternating curvature to deformable piezo bimorph mirrors.

    Science.gov (United States)

    Sutter, John P; Alcock, Simon G; Kashyap, Yogesh; Nistea, Ioana; Wang, Hongchang; Sawhney, Kawal

    2016-11-01

    Beam shaping is becoming increasingly important for synchrotron X-ray applications. Although routine for visible light lasers, this is challenging for X-rays due to the limited source coherence and extreme optical tolerances required for the shaping mirrors. In deliberate defocusing, even surface errors mirrors of fixed curvature. Such optics are useful for providing a fixed size of X-ray beam, but do not provide the adaptability required by many experiments. In contrast, deformable piezo bimorph mirrors permit a continuous range of X-ray beam sizes and shapes. A new theory is developed for applying non-periodic modifications of alternating curvature to optical surfaces. The position and length of the segments may be freely chosen. For the first time, surface modifications of alternating curvature are applied to bimorph mirrors to generate non-Gaussian X-ray beam profiles of specified width. The new theory's freedom is exploited to choose the segments to match the polishing errors of medium wavelength (>10 mm) and the piezos' influence on the mirror's figure. Five- and seven-segment modifications of alternating curvature are calculated and verified by visible light and X-ray metrology. The latter yields beam profiles with less striation than those made by defocusing. Remaining beam striations are explained by applying geometrical optics to the deviations from the ideal surface modifications of alternating curvature.

  7. The Role of Anion Adsorption in the Effect of Electrode Potential on Surface Plasmon Resonance Response.

    Science.gov (United States)

    Laurinavichyute, Veronika K; Nizamov, Shavkat; Mirsky, Vladimir M

    2017-06-20

    Surface plasmon resonance, being widely used in bioanalytics and biotechnology, is influenced by the electrical potential of the resonant gold layer. To evaluate the mechanism of this effect, we have studied it in solutions of various inorganic electrolytes. The magnitude of the effect decreases according to the series: KBr>KCl>KF>NaClO 4 . The data were treated by using different models of the interface. A quantitative description was obtained for the model, which takes into account the local dielectric function of gold being affected by the free electron charge, diffuse ionic layer near the gold/water interface, and specific adsorption of halides to the gold surface with partial charge transfer. Taking into account that most biological experiments are performed in chloride-containing solutions, detailed analysis of the model at these conditions was performed. The results indicate that the chloride adsorption is the main mechanism for the influence of potential on the surface plasmon resonance. The dependencies of surface concentration and residual charge of chloride on the applied potential were determined. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Global potential energy surface of ground state singlet spin O4

    Science.gov (United States)

    Mankodi, Tapan K.; Bhandarkar, Upendra V.; Puranik, Bhalchandra P.

    2018-02-01

    A new global potential energy for the singlet spin state O4 system is reported using CASPT2/aug-cc-pVTZ ab initio calculations. The geometries for the six-dimensional surface are constructed using a novel point generation scheme that employs randomly generated configurations based on the beta distribution. The advantage of this scheme is apparent in the reduction of the number of required geometries for a reasonably accurate potential energy surface (PES) and the consequent decrease in the overall computational effort. The reported surface matches well with the recently published singlet surface by Paukku et al. [J. Chem. Phys. 147, 034301 (2017)]. In addition to the O4 PES, the ground state N4 PES is also constructed using the point generation scheme and compared with the existing PES [Y. Paukku et al., J. Chem. Phys. 139, 044309 (2013)]. The singlet surface is constructed with the aim of studying high energy O2-O2 collisions and predicting collision induced dissociation cross section to be used in simulating non-equilibrium aerothermodynamic flows.

  9. Determination of the High Frequency Inductance Profile of Surface Mounted Permanent Magnet Synchronous Motors

    DEFF Research Database (Denmark)

    Lu, Kaiyuan; Rasmussen, Peter Omand; Ritchie, Ewen

    2008-01-01

    ) synchronous motors. This paper presents an AC+DC measurement method for determination of the d-axis and q-axis high frequency inductance profiles of SMPM synchronous motors. This method uses DC currents to set a desired magnetic working point on the motor laminations, and then superimpose balanced small AC...... signals to measure the incremental a separate determination of the d, q inductance profiles as functions of the d, q currents. Experimental results on a commercial SMPM motor using the proposed method are presented in this paper....

  10. Role of impurity influenced domain on excitation profile of doped quantum dot subject to oscillatory confinement potential

    Energy Technology Data Exchange (ETDEWEB)

    Kumar Datta, Nirmal [Department of Physics, Suri Vidyasagar College, Suri, Birbhum 731101, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.co [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)

    2011-04-15

    We explore the excitation profile of a repulsive impurity doped quantum dot under a periodically fluctuating confinement potential. We have considered Gaussian impurity centers. The investigation points to a minimum value of spatial extension of impurity domain below which significant excitation is not feasible. In general, excitation becomes maximum at some typical value of impurity strength depending upon the location and the spatial stretch of the dopant. The rate of transition to the excited states depends on the above spatial stretch which gets modulated by the oscillating confinement potential and explains the excitation maximization quite elegantly. - Research highlights: {yields} The excitation profile of quantum dot subjects to periodically fluctuating confinement potential has been investigated. {yields} The quantum dot is doped with a repulsive Gaussian Impurity. {yields} The impurity domain and impurity location delicately modulate the excitation profile. {yields} The excitation becomes maximum for typical values of dopant strength depending upon the dopant location and dopant domain. {yields} The magnitude of this typical value undergoes immense enhancement on quenching the spatial extension of dopant. Such quenching beyond a critical value completely offsets any kind of excitation.

  11. Critical insight into the influence of the potential energy surface on fission dynamics

    International Nuclear Information System (INIS)

    Mazurek, K.; Schmitt, C.; Wieleczko, J. P.; Ademard, G.; Nadtochy, P. N.

    2011-01-01

    The present work is dedicated to a careful investigation of the influence of the potential energy surface on the fission process. The time evolution of nuclei at high excitation energy and angular momentum is studied by means of three-dimensional Langevin calculations performed for two different parametrizations of the macroscopic potential: the Finite Range Liquid Drop Model (FRLDM) and the Lublin-Strasbourg Drop (LSD) prescription. Depending on the mass of the system, the topology of the potential throughout the deformation space of interest in fission is observed to noticeably differ within these two approaches, due to the treatment of curvature effects. When utilized in the dynamical calculation as the driving potential, the FRLDM and LSD models yield similar results in the heavy-mass region, whereas the predictions can be strongly dependent on the Potential Energy Surface (PES) for medium-mass nuclei. In particular, the mass, charge, and total kinetic energy distributions of the fission fragments are found to be narrower with the LSD prescription. The influence of critical model parameters on our findings is carefully investigated. The present study sheds light on the experimental conditions and signatures well suited for constraining the parametrization of the macroscopic potential. Its implication regarding the interpretation of available experimental data is briefly discussed.

  12. Atom diffraction reveals the impact of atomic core electrons on atom-surface potentials.

    Science.gov (United States)

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D

    2010-12-03

    We measured ratios of van der Waals potential coefficients (C3) for different atoms (Li, Na, K, and Rb) interacting with the same surface by studying atom diffraction from a nanograting. These measurements are a sensitive test of atomic structure calculations because C3 ratios are strongly influenced by core electrons and only weakly influenced by the permittivity and geometry of the surface. Our measurement uncertainty of 2% in the ratio C(3)(K)/C(3)(Na) is close to the uncertainty of the best theoretical predictions, and some of these predictions are inconsistent with our measurement.

  13. On the instabilities of a potential vortex with a free surface

    DEFF Research Database (Denmark)

    Mougel, J.; Fabre, D.; Lacaze, L.

    2017-01-01

    In this paper, we address the linear stability analysis of a confined potential vortex with a free surface. This particular flow has been recently used by Tophoj et al. (Phys. Rev. Lett., vol. 110(19), 2013, article 194502) as a model for the swirling flow of fluid in an open cylindrical containe...... the numerical and theoretical analysis presented. These different methods and observations allow to support the unstable wave coupling mechanism as the physical process at the origin of the polygonal patterns observed in free-surface rotating flows....

  14. Potential energy surfaces for N = Z, 20Ne-112Ba nuclei

    International Nuclear Information System (INIS)

    Mehta, M.S.; Gupta, Raj K.; Jha, T.K.; Patra, S.K.

    2004-01-01

    We have calculated the potential energy surfaces for N = Z, 20 Ne- 112 Ba nuclei in an axially deformed relativistic mean field approach. A quadratic constraint scheme is applied to determine the complete energy surface for a wide range of the quadrupole deformation. The NL3, NL-RAl and TM1 parameter sets are used. The phenomenon of (multiple) shape coexistence is studied and the calculated ground and excited state binding energies, quadrupole deformation parameters and root mean square (rms) charge radii are compared with the available experimental data and other theoretical predictions. (author)

  15. Surface-active biopolymers from marine bacteria for potential biotechnological applications

    Directory of Open Access Journals (Sweden)

    Karina Sałek

    2016-03-01

    Full Text Available Surface-active agents are amphiphilic chemicals that are used in almost every sector of modern industry, the bulk of which are produced by organo-chemical synthesis. Those produced from biological sources (biosurfactants and bioemulsifiers, however, have gained increasing interest in recent years due to their wide structural and functional diversity, lower toxicities and high biodegradability, compared to their chemically-synthesised counterparts. This review aims to present a general overview on surface-active agents, including their classification, where new types of these biomolecules may lay awaiting discovery, and some of the main bottlenecks for their industrial-scale production. In particular, the marine environment is highlighted as a largely untapped source for discovering new types of surface-active agents. Marine bacteria, especially those living associated with micro-algae (eukaryotic phytoplankton, are a highly promising source of polymeric surface-active agents with potential biotechnological applications. The high uronic acids content of these macromolecules has been linked to conferring them with amphiphilic qualities, and their high structural diversity and polyanionic nature endows them with the potential to exhibit a wide range of functional diversity. Production yields (e.g. by fermentation for most microbial surface-active agents have often been too low to meet the volume demands of industry, and this principally remains as the most important bottleneck for their further commercial development. However, new developments in recombinant and synthetic biology approaches can offer significant promise to alleviate this bottleneck. This review highlights a particular biotope in the marine environment that offers promise for discovering novel surface-active biomolecules, and gives a general overview on specific areas that researchers and the industry could focus work towards increasing the production yields of microbial surface

  16. Convection and surface tension profiles for aqueous droplet under microwave radiation

    Science.gov (United States)

    Kanazawa, Yushin; Asada, Masahiro; Asakuma, Yusuke; Honda, Itsuro; Phan, Chi; Parmar, Harisinh; Pareek, Vishnu; Evans, Geoffrey

    2014-08-01

    Application of microwave irradiation for chemical processes, such as emulsification and polymerization, has been reported [1,2]. Surfactant free emulsion can be produced with the help of microwave irradiation. Surface tension is an important property for the industrial process such as foaming/defoaming, wetting/dewetting and flotation. Similarly, the interfacial tension plays crucial role in separation and mixing process of two immiscible liquids, which are important unit operations of the fundamental chemical engineering. In practice, surface and interfacial tensions are often altered by introducing surfactants. In our previous research [3,4], specific property for surface tension of water droplet with salt under microwave radiation was found. For example, lower surface tension after the radiation was measured. The formation of nano-bubble will explain this behavior. Normally, the surface tension of aqueous solution increases with the salt concentration because cation and anion collect water molecule more strongly as a solvation. However, the exact mechanism of surface tension reduction by microwave radiation is not clear. We tried not only measurement of surface tension but also convection in the droplet during microwave radiation. This study investigates the influence of microwave on surface tension of aqueous solution. Moreover, relation between the concentration, temperature and droplet shape, which are related with surface tension.

  17. Micro-PIV and CFD characterization of flows in a microchannel: Velocity profiles, surface roughness and Poiseuille numbers

    International Nuclear Information System (INIS)

    Silva, Goncalo; Leal, Nuno; Semiao, Viriato

    2008-01-01

    Microfluidics is a promising technology, although the governing physical mechanisms are still not quite understood due to the difficulties arising in measuring at such small scales. This work intends to bring some insight on the influence of surface phenomena in microscale flows by proposing a different method to quantify such influence. In this new method, detailed velocity measurements are performed to evaluate the influence on the flow of the surface phenomena instead of using measured bulk flow properties. For that micro-Particle Image Velocimetry (micro-PIV) is used to characterize the flow kinematics inside a DantecDynamics microchannel (with hydraulic diameter of 637 μm) that possesses rather rough walls (relative roughness of 1.6%) and a very irregular cross-section shape. Two-dimensional velocity profiles were measured in 61 horizontal planes to define the three-dimensional laminar flows (Re ≤ 50). Integration of the velocity profiles yielded volumetric flow rates with a maximum deviation of 3% from the measured volume of fluid discharged as function of time, which gives the magnitude of the bias error of the experimental technique. Effects of walls roughness were quantified by comparing Poiseuille numbers obtained from experimental velocity profiles against those obtained from CFD predictions for the same operating conditions but with hydrodynamically smooth walls, according to the new method proposed herein. Those Poiseuille numbers differed 11% demonstrating the need to account for wall roughness in microflows

  18. Feet on the potential energy surface, head in the pi clouds

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Quentin [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    This work presents explorations of the potential energy surface of clusters of atoms and of the interactions between molecules. First, structures of small aluminum clusters are examined and classified as ground states, transition states, or higher-order saddle points. Subsequently, the focus shifts to dispersion-dominated π-π interactions when the potential energy surfaces of benzene, substituted benzene, and pyridine dimers are explored. Because DNA nucleotide bases can be thought of as substituted heterocycles, a natural extension of the substituted benzene and pyridine investigations is to model paired nucleotide bases. Finally, the success of the dispersion studies inspires the development of an extension to the computational method used, which will enable the dispersion energy to be modeled – and the potential energy surface explored – in additional chemical systems. The effective fragment potential (EFP) method is described, as well as various quantum mechanical methods. An ab inito quantum mechanical study of 13-atom aluminum clusters is described. EFP studies of aromatic dimers are reported in which dispersion energy makes a significant contribution to the attraction between monomers. Theory and code development toward a means of computing dispersion energy in mixed ab inito-EFP systems are described.

  19. Identification of air and sea-surface targets with a laser range profiler

    NARCIS (Netherlands)

    Heuvel, J.C. van den; Schoemaker, R.M.; Schleijpen, H.M.A.

    2009-01-01

    Current coastal operations have to deal with threats at short range in complex environments with both neutral and hostile targets. There is a need for fast identification, which is possible with a laser range profiler. A number of field trials have been conducted to validate the concept of

  20. Potential energy surfaces for alkali plus noble gas pairs: a systematic comparison

    Science.gov (United States)

    Blank, L. Aaron; Kedziora, Gary S.; Weeks, David E.

    2010-02-01

    Optically Pumped Alkali Lasers (OPAL) involve interactions of alkali atoms with a buffer gas typically consisting of a noble gas together with C2H4. Line broadening mechanisms are of particular interest because they can be used to match a broad optical pumping source with relatively narrow alkali absorption spectra. To better understand the line broadening processes at work in OPAL systems we focus on the noble gas collisional partners. A matrix of potential energy surfaces (PES) has been generated at the multi-configurational self consistent field (MCSCF) level for M + Ng, where M=Li, Na, K, Rb, Cs and Ng=He, Ne, Ar. The PES include the X2Σ ground state surface and the A2II, B2Σ excited state surfaces. In addition to the MCSCF surfaces, PES for Li+He have been calculated at the multi-reference singles and doubles configuration interaction (MRSDCI) level with spin-orbit splitting effects included. These surfaces provide a way to check the qualitative applicability of the MCSCF calculations. They also exhibit the avoided crossing between the B2Σ and A2II1/2 surfaces that is partially responsible for collision induced relaxation from the 2P3/2 to the 2P1/2 atomic levels.

  1. Bohm potential effect on the propagation of electrostatic surface wave in semi-bounded quantum plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Myoung-Jae [Department of Physics, Hanyang University, Seoul 04763 (Korea, Republic of); Research Institute for Natural Sciences, Hanyang University, Seoul 04763 (Korea, Republic of); Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr [Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 15588 (Korea, Republic of); Department of Electrical and Computer Engineering, MC 0407, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0407 (United States)

    2017-02-12

    High frequency electrostatic wave propagation in a dense and semi-bounded electron quantum plasma is investigated with consideration of the Bohm potential. The dispersion relation for the surface mode of quantum plasma is derived and numerically analyzed. We found that the quantum effect enhances the frequency of the wave especially in the high wave number regime. However, the frequency of surface wave is found to be always lower than that of the bulk wave for the same quantum wave number. The group velocity of the surface wave for various quantum wave number is also obtained. - Highlights: • High frequency electrostatic wave propagation is investigated in a dense semi-bounded quantum plasma. • The dispersion relation for the surface mode of quantum plasma is derived and numerically analyzed. • The quantum effect enhances the frequency of the wave especially in the high wave number regime. • The frequency of surface wave is found to be always lower than that of the bulk wave. • The group velocity of the surface wave for various quantum wave number is also obtained.

  2. Profile of Mutations in the Reverse Transcriptase and Overlapping Surface Genes of Hepatitis B Virus (HBV) in Treatment-Naïve Indonesian HBV Carriers.

    Science.gov (United States)

    Yamani, Laura Navika; Yano, Yoshihiko; Utsumi, Takako; Wasityastuti, Widya; Rinonce, Hanggoro Tri; Widasari, Dewiyani Indah; Juniastuti; Lusida, Maria Inge; Soetjipto; Hayashi, Yoshitake

    2017-11-22

    Mutations in the reverse transcriptase (RT) region of the hepatitis B virus (HBV) genome are an important factor in low therapeutic effectiveness. Nonetheless, the prevalence of these mutations in HBV strains isolated previously in Indonesia has not been systematically examined. Therefore, in this study, we investigated the profile of mutations in the RT region and the associations of these mutations with amino acid changes in the surface protein in the virus of treatment-naïve Indonesian HBV carriers. Overall, 96 sequences of the full-length Indonesian HBV genomes (genotype B, n = 54; genotype C, n = 42) were retrieved from the National Center for Biotechnology Information. Naturally occurring primary and/or compensatory drug resistance mutations were found in 6/54 (11.1%) genotype B strains and in 1/42 (2.4%) genotype C strains. The potential mutations underlying resistance to a nucleos(t)ide analog and/or pretreatment mutations were more frequent in both genotypes but more frequent in genotype C strains than in genotype B strains. The A-B interdomain region in the RT gene was more frequently mutated in genotype C than in genotype B (3.51 ± 2.53 vs. 1.08 ± 1.52, P < 0.001). Knowledge about the mutational profiles of the RT gene and changes in the surface protein may help clinicians to select the most appropriate antiviral drug and vaccination or HBV immunoglobulin regimen for management of HBV infection in Indonesia.

  3. Amino acids profile in some nuts as potential ingredients of bakery mixtures

    International Nuclear Information System (INIS)

    Bednáriková, A.; Sádecká, J.

    2010-01-01

    Edible nuts are globally popular and are valued for their sensory, nutritional and health attributes. Nuts need to be kept dry and well store particularly after shelling due to the high unsaturated fat content of the oil. The current study was designed to analyze and compare amino acid profile in walnuts and hazelnuts after irradiation treatment for reduction/elimination of undesirable micro-flora. A simple, reliable and rapid LC-MS method was used for determination of 20 free amino acids. It was found that there were insignificant differences in amino acid profile after irradiation treatment at dose of 5 kGy when the nuts had been packed in paper cover although the selected dose of irradiation (5 kGy) caused dramatic increase of offlavour compound amounts

  4. Physicochemical state of the nanotopographic surface of commercially pure titanium following anodization-hydrothermal treatment reveals significantly improved hydrophilicity and surface energy profiles.

    Science.gov (United States)

    Takebe, Jun; Ito, Shigeki; Miura, Shingo; Miyata, Kyohei; Ishibashi, Kanji

    2012-01-01

    A method of coating commercially pure titanium (cpTi) implants with a highly crystalline, thin hydroxyapatite (HA) layer using discharge anodic oxidation followed by hydrothermal treatment (Spark discharged Anodic oxidation treatment ; SA-treated cpTi) has been reported for use in clinical dentistry. We hypothesized that a thin HA layer with high crystallinity and nanostructured anodic titanium oxide film on such SA-treated cpTi implant surfaces might be a crucial function of their surface-specific potential energy. To test this, we analyzed anodic oxide (AO) cpTi and SA-treated cpTi disks by SEM and AFM. Contact angles and surface free energy of each disk surface was measured using FAMAS software. High-magnification SEM and AFM revealed the nanotopographic structure of the anodic titanium oxide film on SA-treated cpTi; however, this was not observed on the AO cpTi surface. The contact angle and surface free energy measurements were also significantly different between AO cpTi and SA-treated cpTi surfaces (Tukey's, P<0.05). These data indicated that the change of physicochemical properties of an anodic titanium oxide film with HA crystals on an SA-treated cpTi surface may play a key role in the phenomenon of osteoconduction during the process of osseointegration. Copyright © 2011 Elsevier B.V. All rights reserved.

  5. Electrical potential-assisted DNA hybridization. How to mitigate electrostatics for surface DNA hybridization.

    Science.gov (United States)

    Tymoczko, Jakub; Schuhmann, Wolfgang; Gebala, Magdalena

    2014-12-24

    Surface-confined DNA hybridization reactions are sensitive to the number and identity of DNA capture probes and experimental conditions such as the nature and the ionic strength of the electrolyte solution. When the surface probe density is high or the concentration of bulk ions is much lower than the concentration of ions within the DNA layer, hybridization is significantly slowed down or does not proceed at all. However, high-density DNA monolayers are attractive for designing high-sensitivity DNA sensors. Thus, circumventing sluggish DNA hybridization on such interfaces allows a high surface concentration of target DNA and improved signal/noise ratio. We present potential-assisted hybridization as a strategy in which an external voltage is applied to the ssDNA-modified interface during the hybridization process. Results show that a significant enhancement of hybridization can be achieved using this approach.

  6. Potentialities of some surface characterization techniques for the development of titanium biomedical alloys

    Directory of Open Access Journals (Sweden)

    P.S. Vanzillotta

    2004-09-01

    Full Text Available Bone formation around a metallic implant is a complex process that involves micro- and nanometric interactions. Several surface treatments, including coatings were developed in order to obtain faster osseointegration. To understand the role of these surface treatments on bone formation it is necessary to choose adequate characterization techniques. Among them, we have selected electron microscopy, profilometry, atomic force microscopy (AFM and X-ray photoelectron spectroscopy (XPS to describe them briefly. Examples of the potentialities of these techniques on the characterization of titanium for biomedical applications were also presented and discussed. Unfortunately more than one technique is usually necessary to describe conveniently the topography (scanning electron microsocopy, profilometry and/or AFM and the chemical state (XPS of the external layer of the material surface. The employment of the techniques above described can be useful especially for the development of new materials or products.

  7. Metrological Aspects of Surface Topographies Produced by Different Machining Operations Regarding Their Potential Functionality

    Directory of Open Access Journals (Sweden)

    Żak Krzysztof

    2017-06-01

    Full Text Available This paper presents a comprehensive methodology for measuring and characterizing the surface topographies on machined steel parts produced by precision machining operations. The performed case studies concern a wide spectrum of topographic features of surfaces with different geometrical structures but the same values of the arithmetic mean height Sa. The tested machining operations included hard turning operations performed with CBN tools, grinding operations with Al2O3 ceramic and CBN wheels and superfinish using ceramic stones. As a result, several characteristic surface textures with the Sa roughness parameter value of about 0.2 μm were thoroughly characterized and compared regarding their potential functional capabilities. Apart from the standard 2D and 3D roughness parameters, the fractal, motif and frequency parameters were taken in the consideration.

  8. Stair-Step Particle Flux Spectra on the Lunar Surface: Evidence for Nonmonotonic Potentials?

    Science.gov (United States)

    Collier, Michael R.; Newheart, Anastasia; Poppe, Andrew R.; Hills, H. Kent; Farrell, William M.

    2016-01-01

    We present examples of unusual "stair-step" differential flux spectra observed by the Apollo 14 Suprathermal Ion Detector Experiment on the lunar dayside surface in Earth's magnetotail. These spectra exhibit a relatively constant differential flux below some cutoff energy and then drop off precipitously, by about an order of magnitude or more, at higher energies. We propose that these spectra result from photoions accelerated on the lunar dayside by nonmonotonic potentials (i.e.,potentials that do not decay to zero monotonically) and present a model for the expected differential flux. The energy of the cutoff and the magnitude of the differential flux are related to the properties of the local space environment and are consistent with the observed flux spectra. If this interpretation is correct, these surface-based ion observations provide a unique perspective that both complements and enhances the conclusions obtained by remote-sensing orbiter observations on the Moon's exospheric and electrostatic properties.

  9. Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface

    Directory of Open Access Journals (Sweden)

    Ashraf Khademzadeh

    2014-01-01

    Full Text Available The mechanism of S+O4 (D2h reaction has been investigated at the B3LYP/6-311+G(3df and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O4 (D2h reaction, IN1, on the singlet potential energy surface. For the title reaction, we obtained four kinds of products at the B3LYP level, which have enough thermodynamic stability. The results reveal that the product P3 is spontaneous and exothermic with −188.042 and −179.147 kcal/mol in Gibbs free energy and enthalpy of reaction, respectively. Because P1 adduct is produced after passing two low energy level transition states, kinetically, it is the most favorable adduct in the 1S+1O4 (D2h atmospheric reactions.

  10. Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

    International Nuclear Information System (INIS)

    Osborn, David L.

    2017-01-01

    Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

  11. Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

    Science.gov (United States)

    Osborn, David L.

    2017-05-01

    Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low-temperature combustion and in the oxidation of volatile organic compounds in Earth's atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization makes characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, and master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

  12. Systematic and efficient navigating potential energy surface: Data for silver doped gold clusters

    Directory of Open Access Journals (Sweden)

    Vitaly V. Chaban

    2016-06-01

    Full Text Available Locating global minimum of certain atomistic ensemble is known to be a highly challenging and resource consuming task. This dataset represents joint usage of the semi-empirical PM7 Hamiltonian, Broyden–Fletcher–Goldfarb–Shanno algorithm and basin hopping scheme to navigate a potential energy surface. The Au20 nanocluster was used for calibration as its global minimum structure is well-known. Furthermore, Au18Ag2 and Au15Ag5 were simulated for illustration of the algorithm performance. The work shows encouraging results and, particularly, underlines proper accuracy of PM7 as applied to this type of heavy metal systems. The reported dataset motivates to use the benchmarked method for studying potential energy surfaces of manifold systems and locate their global-minimum atomistic configurations.

  13. Dynamical image potential and induced forces for charged particles moving parallel to a solid surface

    International Nuclear Information System (INIS)

    Arista, N.R.

    1994-01-01

    The dynamical image potential and ensuing forces induced by a charged particle moving parallel to a solid surface are investigated by using a dielectric formulation for semi-infinite dispersive media. The adiabatic behavior of the field in the asymptotic range is discussed in a general way using a multipole expansion. Several calculations illustrate the behavior of the field using both a simple model, where the surface response is approximated by a single plasma resonance, and a more realistic representation of the medium based upon the empirical information on the optical constants for various solids (Al, Cu, Ag, and Au). The model parameters may be adjusted to provide very good agreement with the optical-data integrations of the stopping and lateral forces on the moving charge. On the other hand, important differences in the description of the wake potential using either the simple plasma resonance model, or the optical-data representation, are obtained for Cu, Ag, and Au

  14. Modification of transition's factor in the compact surface-potential-based MOSFET model

    Directory of Open Access Journals (Sweden)

    Kevkić Tijana

    2016-01-01

    Full Text Available The modification of an important transition's factor which enables continual behavior of the surface potential in entire useful range of MOSFET operation is presented. The various modifications have been made in order to obtain an accurate and computationally efficient compact MOSFET model. The best results have been achieved by introducing the generalized logistic function (GL in fitting of considered factor. The smoothness and speed of the transition of the surface potential from the depletion to the strong inversion region can be controlled in this way. The results of the explicit model with this GL functional form for transition's factor have been verified extensively with the numerical data. A great agreement was found for a wide range of substrate doping and oxide thickness. Moreover, the proposed approach can be also applied on the case where quantum mechanical effects play important role in inversion mode.

  15. Evaluation of the immunodiagnostic potential of a recombinant surface protein domain from Acanthamoeba castellanii.

    Science.gov (United States)

    Sánchez, Alemao G Carpinteyro; Virginio, Veridiana Gomes; Maschio, Vinicius José; Ferreira, Henrique Bunselmeyer; Rott, Marilise Brittes

    2016-10-01

    Acanthamoeba spp. are free-living protists widely distributed in environment, able to cause keratitis, encephalitis and skin lesions in humans and animals. Acanthamoeba spp. exist in two forms: an infective trophozoite and a dormant cyst. Several factors contribute to the pathogenesis of Acanthamoeba spp. The parasite adhesion to the host cell is the primary step for infection and is mediated by a mannose binding-protein, expressed in the surface and considered the main pathogenicity factor in Acanthamoeba spp. So far, there was no evidence of another surface protein of Acanthamoeba spp. relevant for host invasion or infection by these organisms. The aims of this study were to identify and characterize an Acanthamoeba castellanii surface protein and to evaluate its diagnostic potential. In silico predictions of surface proteins allowed to identify the A. castellanii calreticulin as a possible surface antigen. The coding sequence of a predicted extracellular domain of A. castellanii calreticulin was cloned by in vivo homologous recombination and the recombinant polypeptide (AcCRT29-130) was produced. Its immunodiagnostic potential was assessed in a recombinant antigen-based ELISA with sera from experimentally infected rats that developed keratitis and encephalitis, and sera from patients with encephalitis. The AcCRT29-130 was significantly more recognized by sera from encephalitis infected rats in comparison with the non-infected controls. Human sera from encephalitis patients, however presented no significant response. These results showed the AcCRT29-130 potential for A. castellanii infection immunodiagnosis in animals, with further studies being required for assessment of its use for human infections.

  16. Exploring a potential energy surface by machine learning for characterizing atomic transport

    Science.gov (United States)

    Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

    2018-03-01

    We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

  17. Physisorbed H{sub 2}@Cu(100) surface: Potential and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bernard, Eddy; Houriez, Céline; Mitrushchenkov, Alexander O.; Guitou, Marie; Chambaud, Gilberte, E-mail: gilberte.chambaud@univ-mlv.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi-Echelle, UMR 8208 CNRS, 5 Boulevard Descartes, Champs sur Marne, F-77454 Marne-la-Vallée (France)

    2015-02-07

    Using an embedding approach, a 2-D potential energy function has been calculated to describe the physisorption interaction of H{sub 2} with a Cu(100) surface. For this purpose, a cluster model of the system calculated with highly correlated wavefunctions is combined with a periodic Density-Functional-Theory method using van der Waals-DF2 functional. Rotational and vibrational energy levels of physisorbed H{sub 2}, as well as D{sub 2} and HD, are calculated using the 2D embedding corrected potential energy function. The calculated transitions are in a very good agreement with Electron-Energy-Loss-Spectroscopy observations.

  18. Rotational Energy Transfer of N2 Gas Determined Using a New Ab Initio Potential Energy Surface

    Science.gov (United States)

    Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Rotational energy transfer between two N2 molecules is a fundamental process of some importance. Exchange is expected to play a role, but its importance is somewhat uncertain. Rotational energy transfer cross sections of N2 also have applications in many other fields including modeling of aerodynamic flows, laser operations, and linewidth analysis in nonintrusive laser diagnostics. A number of N2-N2 rigid rotor potential energy surface (PES) has been reported in the literature.

  19. Composition and structure of Si-doped NiTi with a complex surface profile

    Science.gov (United States)

    Slabodchikov, Vladimir A.; Ovchinnikov, Stanislav V.; Kuznetsov, Vladimir M.

    2017-12-01

    The paper presents Auger spectroscopy and electron microscopy data on the elemental composition and structure of NiTi specimens with blind holes doped with Si through plasma immersion ion implantation. The data demonstrate how silicon is distributed through the depth of NiTi from its front surface and along the side of its hole. The upper layer formed upon treatment is shown to be amorphous, and its thickness measuring several tens of nanometers is about two times larger on the side surface of the hole than on the front surface.

  20. Computed Potential Energy Surfaces and Minimum Energy Pathways for Chemical Reactions

    Science.gov (United States)

    Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

    1994-01-01

    Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. For some dynamics methods, global potential energy surfaces are required. In this case, it is necessary to obtain the energy at a complete sampling of all the possible arrangements of the nuclei, which are energetically accessible, and then a fitting function must be obtained to interpolate between the computed points. In other cases, characterization of the stationary points and the reaction pathway connecting them is sufficient. These properties may be readily obtained using analytical derivative methods. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives usefull results for a number of chemically important systems. The talk will focus on a number of applications including global potential energy surfaces, H + O2, H + N2, O(3p) + H2, and reaction pathways for complex reactions, including reactions leading to NO and soot formation in hydrocarbon combustion.

  1. Surface potential at the hematite (001) crystal plane in aqueous environments and the effects of prolonged aging in water

    Science.gov (United States)

    Lützenkirchen, Johannes; Preočanin, Tajana; Stipić, Filip; Heberling, Frank; Rosenqvist, Jörgen; Kallay, Nikola

    2013-11-01

    The surface potentials of a (0 0 1) terminated hematite crystal that was annealed at high-temperature were measured as a function of pH by means of the corresponding single crystal electrode. The surface potential at a given pH did not depend on the electrolyte concentration, and was found to exhibit an inflection point. The shape of the function is in phenomenological agreement with the presence of two distinct surface terminations (O and Fe) that have been previously reported for this surface. Aging of the annealed hematite surface, in aqueous electrolyte medium over 2 weeks, leads to a drastic change in the surface potential pH curve. The surface potential becomes that of the ideal O termination. While the O termination data can be modeled using the MUSIC approach, the initial sample that is expected to correspond to the two-domain surface with O and Fe terminations cannot be described within the MUSIC approach based on previously published surface diffraction data. However, the experimental data fall between the O and Fe termination limiting cases when the point of zero potential is placed at the inflection point. The fact that a surface with the two terminations cannot be modeled may be attributed to various issues, three of which are discussed: (i) the general difficulty to average the potential arising from both terminations, which furthermore are short-circuited via the crystal, (ii) the difficulty of treating patchwise heterogeneous surfaces in surface complexation models, and (iii) the incapability of surface complexation models in their present form to describe potential gradients within the solid. Conclusively, we interpret our results as a transformation from a bi-domain surface, to a single domain surface over time under conditions where bulk hematite solubility is low. Accordingly, the oxygen terminated domain should be the more stable one at this single crystal surface at our experimental conditions.

  2. Metabolomic Profiling for Identification of Novel Potential Biomarkers in Cardiovascular Diseases

    Directory of Open Access Journals (Sweden)

    Maria G. Barderas

    2011-01-01

    Full Text Available Metabolomics involves the identification and quantification of metabolites present in a biological system. Three different approaches can be used: metabolomic fingerprinting, metabolic profiling, and metabolic footprinting, in order to evaluate the clinical course of a disease, patient recovery, changes in response to surgical intervention or pharmacological treatment, as well as other associated features. Characteristic patterns of metabolites can be revealed that broaden our understanding of a particular disorder. In the present paper, common strategies and analytical techniques used in metabolomic studies are reviewed, particularly with reference to the cardiovascular field.

  3. Documenting feedbacks between surface processes and structural deformation in East Timor using stream profile and drainage network analysis

    Science.gov (United States)

    Tate, G. W.; Willett, S.; McQuarrie, N.; Goren, L.; Fox, M.

    2013-12-01

    While river profile analyses have long been used to evaluate the development of landforms, recent advances in analyzing drainage networks have significantly improved the ability to positively link stream profiles with surface uplift. In one such method, Perron and Royden (2012) define the value chi, an integral quantity based on the steady-state stream power equation which aids in determining the conformity of rivers and drainage basins to steady-state behavior. East Timor is an ideal location to test new methods using chi, as it is an active and unglaciated orogen with independent constraints of the deformational history through thermochronology and structural geology. We utilize the calculation of chi in our analyses of the drainage network to provide new constraints on the most recent uplift history of the island of Timor. Discontinuities in chi across drainage divides imply different steady state baselevel for hillslopes and therefore active migration of the divide. We confirm this by noting visible landslides in satellite images and asymmetries in hillslope steepness. Analyses of chi and elevation reveal in some locations that tributaries within a single basin have experienced distinctly different histories, documenting instances where previous river capture has occurred. In other locations the relationships between chi and elevation along single rivers denote spatial changes in surface uplift rate. Many of these observations from the drainage network correspond well to patterns of recent exhumation identified from thermochronologic analyses as well as structural constraints from field mapping and balanced cross-sections. Much of the fastest exhumation on the island (as indicated by zircon (U-Th)/He ages of 1.5-3.8 Ma and modeled exhumation rates of 1-3 mm/yr) is in the hinterland slate belt, which also contains the most stream profile remnants of paleo-capture events. Many locations of active river capture correspond well to independently constrained

  4. Spin-wave mode profiles versus surface/interface conditions in ferromagnetic Fe/Ni layered composites

    International Nuclear Information System (INIS)

    Krawczyk, M; Puszkarski, H; Levy, J-C S; Mercier, D

    2003-01-01

    Spin-wave excitations in ferromagnetic layered composite (AB · · · BA; A and B being different homogeneous ferromagnetic materials) are analysed theoretically, by means of the transfer matrix approach. The properties of multilayer spin-wave mode profiles are discussed in relation to multilayer characteristics, such as the filling fraction and the exchange or magnetization contrast; also, surface spin pinning conditions and dipolar interactions are taken into account. The interface conditions are satisfied by introducing an effective exchange field expressed by interface gradients of the exchange constant and the magnetization. This approach provides an easy way to find frequencies and amplitudes of standing spin waves in the multilayer. The developed theory is applied to interpretation of spin wave resonance (SWR) spectra obtained experimentally by Chambers et al in two systems: a bilayer Fe/Ni and a trilayer Ni/Fe/Ni, in perpendicular (to the multilayer surface) configuration of the applied magnetic field. By fitting the SWR spectra obtained experimentally and those found numerically, the surface anisotropies are estimated on multilayer surfaces; then, the observed resonance lines are identified as associated with bulk, surface or interface modes. The theory can be extended to a general case of any multi-component layered system

  5. Identifying drought response of semi-arid aeolian systems using near-surface luminescence profiles and changepoint analysis, Nebraska Sandhills.

    Science.gov (United States)

    Buckland, Catherine; Bailey, Richard; Thomas, David

    2017-04-01

    Two billion people living in drylands are affected by land degradation. Sediment erosion by wind and water removes fertile soil and destabilises landscapes. Vegetation disturbance is a key driver of dryland erosion caused by both natural and human forcings: drought, fire, land use, grazing pressure. A quantified understanding of vegetation cover sensitivities and resultant surface change to forcing factors is needed if the vegetation and landscape response to future climate change and human pressure are to be better predicted. Using quartz luminescence dating and statistical changepoint analysis (Killick & Eckley, 2014) this study demonstrates the ability to identify step-changes in depositional age of near-surface sediments. Lx/Tx luminescence profiles coupled with statistical analysis show the use of near-surface sediments in providing a high-resolution record of recent system response and aeolian system thresholds. This research determines how the environment has recorded and retained sedimentary evidence of drought response and land use disturbances over the last two hundred years across both individual landforms and the wider Nebraska Sandhills. Identifying surface deposition and comparing with records of climate, fire and land use changes allows us to assess the sensitivity and stability of the surface sediment to a range of forcing factors. Killick, R and Eckley, IA. (2014) "changepoint: An R Package for Changepoint Analysis." Journal of Statistical Software, (58) 1-19.

  6. Time-kill profiles and cell-surface morphological effects of crude ...

    African Journals Online (AJOL)

    MK1201 mycelial extract on the viability and cell surface morphology of methicillin-susceptible Staphylococcus aureus (MSSA) and methicillin-resistant Staphylococcus aureus (MRSA). Methods: Time-kill assays were conducted by incubating test ...

  7. Improved Satellite Estimation of Near-Surface Humidity Using Vertical Water Vapor Profile Information

    Science.gov (United States)

    Tomita, H.; Hihara, T.; Kubota, M.

    2018-01-01

    Near-surface air-specific humidity is a key variable in the estimation of air-sea latent heat flux and evaporation from the ocean surface. An accurate estimation over the global ocean is required for studies on global climate, air-sea interactions, and water cycles. Current remote sensing techniques are problematic and a major source of errors for flux and evaporation. Here we propose a new method to estimate surface humidity using satellite microwave radiometer instruments, based on a new finding about the relationship between multichannel brightness temperatures measured by satellite sensors, surface humidity, and vertical moisture structure. Satellite estimations using the new method were compared with in situ observations to evaluate this method, confirming that it could significantly improve satellite estimations with high impact on satellite estimation of latent heat flux. We recommend the adoption of this method for any satellite microwave radiometer observations.

  8. CONSTRAINING THE NFW POTENTIAL WITH OBSERVATIONS AND MODELING OF LOW SURFACE BRIGHTNESS GALAXY VELOCITY FIELDS

    International Nuclear Information System (INIS)

    Kuzio de Naray, Rachel; McGaugh, Stacy S.; Mihos, J. Christopher

    2009-01-01

    We model the Navarro-Frenk-White (NFW) potential to determine if, and under what conditions, the NFW halo appears consistent with the observed velocity fields of low surface brightness (LSB) galaxies. We present mock DensePak Integral Field Unit (IFU) velocity fields and rotation curves of axisymmetric and nonaxisymmetric potentials that are well matched to the spatial resolution and velocity range of our sample galaxies. We find that the DensePak IFU can accurately reconstruct the velocity field produced by an axisymmetric NFW potential and that a tilted-ring fitting program can successfully recover the corresponding NFW rotation curve. We also find that nonaxisymmetric potentials with fixed axis ratios change only the normalization of the mock velocity fields and rotation curves and not their shape. The shape of the modeled NFW rotation curves does not reproduce the data: these potentials are unable to simultaneously bring the mock data at both small and large radii into agreement with observations. Indeed, to match the slow rise of LSB galaxy rotation curves, a specific viewing angle of the nonaxisymmetric potential is required. For each of the simulated LSB galaxies, the observer's line of sight must be along the minor axis of the potential, an arrangement that is inconsistent with a random distribution of halo orientations on the sky.

  9. Potential of hyperspectral imaging to assess the stability of mudflat surfaces by mapping sediment characteristics

    Science.gov (United States)

    Smith, Geoff; Thomson, Andrew; Moller, Iris; Kromkamp, Jacco

    2003-03-01

    This work assessed the suitability of hyperspectral data for estimating mudflat surface characteristics related to stability. Due to the inaccessibility of intertidal areas, precise ground-based measurements of mudflat stability are difficult to conduct. Remote sensing can provide full spatial coverage and non-intrusive measurement. As stability changes on mudflats are linked to subtle differences in mudflat surface characteristics, they can potentially be mapped by hyperspectral data. Hyperspectral images were collected along with near contemporary ground measurements. An unsupervised classification gave a map which confirmed that a channel bar was mainly sand whereas soft mud dominated an adjacent embayment. Multiple regression analysis was used to relate surface characteristics to hyperspectral data to construct regression equations. Erosion shear stress was estimated directly from the hyperspectral data and also by a relationship with the surface characteristics. The results of the thematic class map matched well with the known situation at the site during image acquisition. The maps of surface characteristics highlighted the additional information that can be extracted from hyperspectral data. Stability maps, based on the erosion shear stress, can be used as a basis for predicting the likely future behaviour in this dynamic environment and will be of use for coastal zone management.

  10. Fractal analysis as a potential tool for surface morphology of thin films

    Science.gov (United States)

    Soumya, S.; Swapna, M. S.; Raj, Vimal; Mahadevan Pillai, V. P.; Sankararaman, S.

    2017-12-01

    Fractal geometry developed by Mandelbrot has emerged as a potential tool for analyzing complex systems in the diversified fields of science, social science, and technology. Self-similar objects having the same details in different scales are referred to as fractals and are analyzed using the mathematics of non-Euclidean geometry. The present work is an attempt to correlate fractal dimension for surface characterization by Atomic Force Microscopy (AFM). Taking the AFM images of zinc sulphide (ZnS) thin films prepared by pulsed laser deposition (PLD) technique, under different annealing temperatures, the effect of annealing temperature and surface roughness on fractal dimension is studied. The annealing temperature and surface roughness show a strong correlation with fractal dimension. From the regression equation set, the surface roughness at a given annealing temperature can be calculated from the fractal dimension. The AFM images are processed using Photoshop and fractal dimension is calculated by box-counting method. The fractal dimension decreases from 1.986 to 1.633 while the surface roughness increases from 1.110 to 3.427, for a change of annealing temperature 30 ° C to 600 ° C. The images are also analyzed by power spectrum method to find the fractal dimension. The study reveals that the box-counting method gives better results compared to the power spectrum method.

  11. Review: the potential impact of surface crystalline states of titanium for biomedical applications.

    Science.gov (United States)

    Barthes, Julien; Ciftci, Sait; Ponzio, Florian; Knopf-Marques, Helena; Pelyhe, Liza; Gudima, Alexandru; Kientzl, Imre; Bognár, Eszter; Weszl, Miklós; Kzhyshkowska, Julia; Vrana, Nihal Engin

    2018-05-01

    In many biomedical applications, titanium forms an interface with tissues, which is crucial to ensure its long-term stability and safety. In order to exert control over this process, titanium implants have been treated with various methods that induce physicochemical changes at nano and microscales. In the past 20 years, most of the studies have been conducted to see the effect of topographical and physicochemical changes of titanium surface after surface treatments on cells behavior and bacteria adhesion. In this review, we will first briefly present some of these surface treatments either chemical or physical and we explain the biological responses to titanium with a specific focus on adverse immune reactions. More recently, a new trend has emerged in titanium surface science with a focus on the crystalline phase of titanium dioxide and the associated biological responses. In these recent studies, rutile and anatase are the major two polymorphs used for biomedical applications. In the second part of this review, we consider this emerging topic of the control of the crystalline phase of titanium and discuss its potential biological impacts. More in-depth analysis of treatment-related surface crystalline changes can significantly improve the control over titanium/host tissue interface and can result in considerable decreases in implant-related complications, which is currently a big burden on the healthcare system.

  12. Perchlorate formation on Mars through surface radiolysis-initiated atmospheric chemistry: A potential mechanism

    Science.gov (United States)

    Wilson, Eric H.; Atreya, Sushil K.; Kaiser, Ralf I.; Mahaffy, Paul R.

    2016-08-01

    Recent observations of the Martian surface by the Phoenix lander and the Sample Analysis at Mars indicate the presence of perchlorate (ClO4-). The abundance and isotopic composition of these perchlorates suggest that the mechanisms responsible for their formation in the Martian environment may be unique in our solar system. With this in mind, we propose a potential mechanism for the production of Martian perchlorate: the radiolysis of the Martian surface by galactic cosmic rays, followed by the sublimation of chlorine oxides into the atmosphere and their subsequent synthesis to form perchloric acid (HClO4) in the atmosphere, and the surface deposition and subsequent mineralization of HClO4 in the regolith to form surface perchlorates. To evaluate the viability of this mechanism, we employ a one-dimensional chemical model, examining chlorine chemistry in the context of Martian atmospheric chemistry. Considering the chlorine oxide, OClO, we find that an OClO flux as low as 3.2 × 107 molecules cm-2 s-1 sublimated into the atmosphere from the surface could produce sufficient HClO4 to explain the perchlorate concentration on Mars, assuming an accumulation depth of 30 cm and integrated over the Amazonian period. Radiolysis provides an efficient pathway for the oxidation of chlorine, bypassing the efficient Cl/HCl recycling mechanism that characterizes HClO4 formation mechanisms proposed for the Earth but not Mars.

  13. Nanostructured lipid carrier surface modified with Eudragit RS 100 and its potential ophthalmic functions

    Science.gov (United States)

    Zhang, Wenji; Li, Xuedong; Ye, Tiantian; Chen, Fen; Yu, Shihui; Chen, Jianting; Yang, Xinggang; Yang, Na; Zhang, Jinsong; Liu, Jinlu; Pan, Weisan; Kong, Jun

    2014-01-01

    This study was carried out to evaluate the ocular performance of a cationic Eudragit (EDU) RS 100-coated nanostructured lipid carrier (NLC). The genistein encapsulated NLC (GEN-NLC) was produced using the melt-emulsification technique followed by surface absorption of EDU RS 100. The EDU RS 100 increased the surface zeta potential from −7.46 mV to +13.60 mV, by uniformly forming a spherical coating outside the NLC surface, as shown by transmission electron microscopy images. The EDU RS 100 on the NLC surface effectively improved the NLC stability by inhibiting particle size growth. The obtained EDU RS 100-GEN-NLC showed extended precorneal clearance and a 1.22-fold increase in AUC (area under the curve) compared with the bare NLC in a Gamma scintigraphic evaluation. The EDU RS 100 modification also significantly increased corneal penetration producing a 3.3-fold increase in apparent permeability coefficients (Papp) compared with references. Draize and cytotoxicity testing confirmed that the developed EDU RS 100-GEN-NLC was nonirritant to ocular tissues and nontoxic to corneal cells. These results indicate that the NLC surface modified by EDU RS 100 significantly improves the NLC properties and exhibits many advantages for ocular use. PMID:25246787

  14. Potential of water surface-floating microalgae for biodiesel production: Floating-biomass and lipid productivities.

    Science.gov (United States)

    Muto, Masaki; Nojima, Daisuke; Yue, Liang; Kanehara, Hideyuki; Naruse, Hideaki; Ujiro, Asuka; Yoshino, Tomoko; Matsunaga, Tadashi; Tanaka, Tsuyoshi

    2017-03-01

    Microalgae have been accepted as a promising feedstock for biodiesel production owing to their capability of converting solar energy into lipids through photosynthesis. However, the high capital and operating costs, and high energy consumption, are hampering commercialization of microalgal biodiesel. In this study, the surface-floating microalga, strain AVFF007 (tentatively identified as Botryosphaerella sudetica), which naturally forms a biofilm on surfaces, was characterized for use in biodiesel production. The biofilm could be conveniently harvested from the surface of the water by adsorbing onto a polyethylene film. The lipid productivity of strain AVFF007 was 46.3 mg/L/day, allowing direct comparison to lipid productivities of other microalgal species. The moisture content of the surface-floating biomass was 86.0 ± 1.2%, which was much lower than that of the biomass harvested using centrifugation. These results reveal the potential of this surface-floating microalgal species as a biodiesel producer, employing a novel biomass harvesting and dewatering strategy. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  15. Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

    Science.gov (United States)

    Ge, Zhenpeng; Wang, Yi

    2017-04-20

    Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

  16. Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex.

    Science.gov (United States)

    Denis-Alpizar, Otoniel; Stoecklin, Thierry; Halvick, Philippe; Dubernet, Marie-Lise; Marinakis, Sarantos

    2012-12-21

    Owing to its large dipole, astrophysicists use carbon monosulfide (CS) as a tracer of molecular gas in the interstellar medium, often in regions where H(2) is the most abundant collider. Predictions of the rovibrational energy levels of the weakly bound complex CS-H(2) (not yet observed) and also of rate coefficients for rotational transitions of CS in collision with H(2) should help to interpret the observed spectra. This paper deals with the first goal, i.e., the calculation of the rovibrational energy levels. A new four-dimensional intermolecular potential energy surface for the H(2)-CS complex is presented. Ab initio potential energy calculations were carried out at the coupled-cluster level with single and double excitations and a perturbative treatment of triple excitations, using a quadruple-zeta basis set and midbond functions. The potential energy surface was obtained by an analytic fit of the ab initio data. The equilibrium structure of the H(2)-CS complex is found to be linear with the carbon pointing toward H(2) at the intermolecular separation of 8.6 a(o). The corresponding well depth is -173 cm(-1). The potential was used to calculate the rovibrational energy levels of the para-H(2)-CS and ortho-H(2)-CS complexes. The present work provides the first theoretical predictions of these levels. The calculated dissociation energies are found to be 35.9 cm(-1) and 49.9 cm(-1), respectively, for the para and ortho complexes. The second virial coefficient for the H(2)-CS pair has also been calculated for a large range of temperature. These results could be used to assign future experimental spectra and to check the accuracy of the potential energy surface.

  17. High-resolution seismic profiling : development of acquisition, processing, and interpretation for the practical implementation of the method in shallow sub-surface exploration and engineering

    NARCIS (Netherlands)

    Brouwer, J.

    1988-01-01

    In the last few years there has been a general increase in the activities in the field of high-resolution seismic profiling. A growing interest in shallow sub-surface exploration probably underlies this development. Major attention is paid to the adaptation of highresolution seismic profiling for

  18. High-resolution seismic profiling: development of acquisition, processing, and interpretation for the practical implementation of the method in shallow sub-surface exploration and engineering

    NARCIS (Netherlands)

    Brouwer, J.

    1988-01-01

    In the last few years there has been a general increase in the activities in the field of high-resolution seismic profiling. A growing interest in shallow sub-surface exploration probably underlies this development. Major attention is paid to the adaptation of highresolution seismic profiling for

  19. Beyond Massive MIMO: The Potential of Data Transmission With Large Intelligent Surfaces

    Science.gov (United States)

    Hu, Sha; Rusek, Fredrik; Edfors, Ove

    2018-05-01

    In this paper, we consider the potential of data-transmission in a system with a massive number of radiating and sensing elements, thought of as a contiguous surface of electromagnetically active material. We refer to this as a large intelligent surface (LIS). The "LIS" is a newly proposed concept, which conceptually goes beyond contemporary massive MIMO technology, that arises from our vision of a future where man-made structures are electronically active with integrated electronics and wireless communication making the entire environment "intelligent". We consider capacities of single-antenna autonomous terminals communicating to the LIS where the entire surface is used as a receiving antenna array. Under the condition that the surface-area is sufficiently large, the received signal after a matched-filtering (MF) operation can be closely approximated by a sinc-function-like intersymbol interference (ISI) channel. We analyze the capacity per square meter (m^2) deployed surface, \\hat{C}, that is achievable for a fixed transmit power per volume-unit, \\hat{P}. Moreover, we also show that the number of independent signal dimensions per m deployed surface is 2/\\lambda for one-dimensional terminal-deployment, and \\pi/\\lambda^2 per m^2 for two and three dimensional terminal-deployments. Lastly, we consider implementations of the LIS in the form of a grid of conventional antenna elements and show that, the sampling lattice that minimizes the surface-area of the LIS and simultaneously obtains one signal space dimension for every spent antenna is the hexagonal lattice. We extensively discuss the design of the state-of-the-art low-complexity channel shortening (CS) demodulator for data-transmission with the LIS.

  20. Sensitivity of Landsat 8 Surface Temperature Estimates to Atmospheric Profile Data: A Study Using MODTRAN in Dryland Irrigated Systems

    KAUST Repository

    Rosas, Jorge

    2017-09-26

    The land surface temperature (LST) represents a critical element in efforts to characterize global surface energy and water fluxes, as well as being an essential climate variable in its own right. Current satellite platforms provide a range of spatial and temporal resolution radiance data from which LST can be determined. One of the most complete records of data comes via the Landsat series of satellites, which provide a continuous sequence that extends back to 1982. However, for much of this time, Landsat thermal data were provided through a single broadband thermal channel, making surface temperature retrieval challenging. To fully exploit the valuable time-series of thermal information that is available from these satellites requires efforts to better describe and understand the accuracy of temperature retrievals. Here, we contribute to these efforts by examining the impact of atmospheric correction on the estimation of LST, using atmospheric profiles derived from a range of in-situ, reanalysis, and satellite data. Radiance data from the thermal infrared (TIR) sensor onboard Landsat 8 was converted to LST by using the MODTRAN version 5.2 radiative transfer model, allowing the production of an LST time series based upon 28 Landsat overpasses. LST retrievals were then evaluated against in-situ thermal measurements collected over an arid zone farmland comprising both bare soil and vegetated surface types. Atmospheric profiles derived from AIRS, MOD07, ECMWF, NCEP, and balloon-based radiosonde data were used to drive the MODTRAN simulations. In addition to examining the direct impact of using various profile data on LST retrievals, randomly distributed errors were introduced into a range of forcing variables to better understand retrieval uncertainty. Results indicated differences in LST of up to 1 K for perturbations in emissivity and profile measurements, with the analysis also highlighting the challenges in modeling aerosol optical depth (AOD) over arid lands and

  1. Proper construction of ab initio global potential surfaces with accurate long-range interactions

    International Nuclear Information System (INIS)

    Ho, Tak-San; Rabitz, Herschel

    2000-01-01

    An efficient procedure based on the reproducing kernel Hilbert space interpolation method is presented for constructing intermolecular potential energy surfaces (PES) using not only calculated ab initio data but also a priori information on long-range interactions. Explicitly, use of the reciprocal power reproducing kernel on the semiinfinite interval [0,∞) yields a set of exact linear relations between dispersion (multipolar) coefficients and PES data points at finite internuclear separations. Consequently, given a combined set of ab initio data and the values of dispersion (multipolar) coefficients, the potential interpolation problem subject to long-range interaction constraints can be solved to render globally smooth, asymptotically accurate ab initio potential energy surfaces. Very good results have been obtained for the one-dimensional He-He potential curve and the two-dimensional Ne-CO PES. The construction of the Ne-CO PES was facilitated by invoking a new reproducing kernel for the angular coordinate based on the optimally stable and shape-preserving Bernstein basis functions. (c) 2000 American Institute of Physics

  2. Spin-wave mode profiles versus surface/interface conditions in ferromagnetic Fe/Ni layered composites

    CERN Document Server

    Krawczyk, M; Levy, J C S; Mercier, D

    2003-01-01

    Spin-wave excitations in ferromagnetic layered composite (AB centre dot centre dot centre dot BA; A and B being different homogeneous ferromagnetic materials) are analysed theoretically, by means of the transfer matrix approach. The properties of multilayer spin-wave mode profiles are discussed in relation to multilayer characteristics, such as the filling fraction and the exchange or magnetization contrast; also, surface spin pinning conditions and dipolar interactions are taken into account. The interface conditions are satisfied by introducing an effective exchange field expressed by interface gradients of the exchange constant and the magnetization. This approach provides an easy way to find frequencies and amplitudes of standing spin waves in the multilayer. The developed theory is applied to interpretation of spin wave resonance (SWR) spectra obtained experimentally by Chambers et al in two systems: a bilayer Fe/Ni and a trilayer Ni/Fe/Ni, in perpendicular (to the multilayer surface) configuration of th...

  3. Nano surface engineering of Mn 2 O 3 for potential light-harvesting application

    KAUST Repository

    Kar, Prasenjit

    2015-01-01

    Manganese oxides are well known applied materials including their use as efficient catalysts for various environmental applications. Multiple oxidation states and their change due to various experimental conditions are concluded to be responsible for their multifaceted functionality. Here we demonstrate that the interaction of a small organic ligand with one of the oxide varieties induces completely new optical properties and functionalities (photocatalysis). We have synthesized Mn2O3 microspheres via a hydrothermal route and characterized them using scanning electron microscopy (SEM), X-ray diffraction (XRD) and elemental mapping (EDAX). When the microspheres are allowed to interact with the biologically important small ligand citrate, nanometer-sized surface functionalized Mn2O3 (NPs) are formed. Raman and Fourier transformed infrared spectroscopy confirm the covalent attachment of the citrate ligand to the dangling bond of Mn at the material surface. While cyclic voltammetry (CV) and X-ray photoelectron spectroscopy (XPS) analysis confirm multiple surface charge states after the citrate functionalization of the Mn2O3 NPs, new optical properties of the surface engineered nanomaterials in terms of absorption and emission emerge consequently. The engineered material offers a novel photocatalytic functionality to the model water contaminant methylene blue (MB). The effect of doping other metal ions including Fe3+ and Cu2+ on the optical and catalytic properties is also investigated. In order to prepare a prototype for potential environmental application of water decontamination, we have synthesized and duly functionalized the material on the extended surface of a stainless steel metal mesh (size 2 cm × 1.5 cm, pore size 150 μm × 200 μm). We demonstrate that the functionalized mesh always works as a "physical" filter of suspended particulates. However, it works as a "chemical" filter (photocatalyst) for the potential water soluble contaminant (MB) in the presence

  4. Glycemic profile and prebiotic potential "in vitro" of bread with yacon (Smallanthus sonchifolius flour

    Directory of Open Access Journals (Sweden)

    Priscilla Moura Rolim

    2011-06-01

    Full Text Available The purpose of this study was to elaborate bread with yacon flour at two different levels (6% and 11% and to analyze their proximate composition, their glycemic indices and their prebiotic potentials in vitro. Bread with 6% and 11% of yacon flour presented, simultaneously, low and moderate glycemic index. As for the prebiotic potentials, it was evident the presence of probiotic bacteria, particularly Lactobacillus. The results showed that, the addition of yacon flour on bread rendered products from low to moderate GI, with prebiotic potential, low fat and high fiber contents, according to the Brazilian food legislation.

  5. Meteosat Land Surface Temperature Climate Data Record: Achievable Accuracy and Potential Uncertainties

    Directory of Open Access Journals (Sweden)

    Anke Duguay-Tetzlaff

    2015-10-01

    Full Text Available The European Organization for the Exploitation of Meteorological Satellites’ (EUMETSAT Meteosat satellites provide the unique opportunity to compile a 30+ year land surface temperature (LST climate data record. Since the Meteosat instrument on-board Meteosat 2–7 is equipped with a single thermal channel, single-channel LST retrieval algorithms are used to ensure consistency across Meteosat satellites. The present study compares the performance of two single-channel LST retrieval algorithms: (1 A physical radiative transfer-based mono-window (PMW; and (2 a statistical mono-window model (SMW. The performance of the single-channel algorithms is assessed using a database of synthetic radiances for a wide range of atmospheric profiles and surface variables. The two single-channel algorithms are evaluated against the commonly-used generalized split-window (GSW model. The three algorithms are verified against more than 60,000 LST ground observations with dry to very moist atmospheres (total column water vapor (TCWV 1–56 mm. Except for very moist atmospheres (TCWV > 45 mm, results show that Meteosat single-channel retrievals match those of the GSW algorithm by 0.1–0.5 K. This study also outlines that it is possible to put realistic uncertainties on Meteosat single-channel LSTs, except for very moist atmospheres: simulated theoretical uncertainties are within 0.3–1.0 K of the in situ root mean square differences for TCWV < 45 mm.

  6. Determination of electrostatic potential distribution by atomic force microscopy (AFM) on model silica and alumina surfaces in aqueous electrolyte solutions

    International Nuclear Information System (INIS)

    Yelken, Gulnihal Ozek; Polat, Mehmet

    2014-01-01

    Graphical abstract: - Highlights: • Atomic force microscopy was employed to quantitatively determine the surface potential on silica and alumina surfaces immersed in aqueous electrolyte solutions at various pH values using the DLVO theory. • Potential distributions could be presented in the form of a potential map by repeating the procedure on multiple locations on these surfaces. • The average potential of the distributions agreed very well with the surface potentials measured by electrophoretic techniques. • Several experimental procedures required to achieve the very sensitive force measurements were outlined and demonstrated. - Abstract: AFM was employed as a physicochemical probe to determine the electrostatic potential distribution quantitatively on selected ideal oxide surfaces (quartz 0 0 0 1 and sapphire 0 0 0 1) in aqueous media. The force of interaction between a silicon nitride tip and the oxide surface was measured at a given point under well-defined solution conditions. Relevant theories were used to isolate the electrostatic component from the total force of interaction which was then employed to estimate the surface potential at that point. Repeating the procedure on selected locations generated a potential map of the surface. Comparison of these potentials with those obtained from independent electrokinetic measurements confirmed the validity of the approach

  7. Water vapor profiling over ocean surface with 90 GHz and 183 GHz measurements under clear and cloudy conditions

    Science.gov (United States)

    Wang, J. R.; Sharma, A. K.

    1992-01-01

    Radiometric measurements at 90 GHz and three sideband frequencies near the peak water vapor absorption line of 183.3 GHz were made with the Advanced Microwave Moisture Sounder (AMMS) aboard the NASA DC-8 aircraft over some regions of the Pacific Ocean. These measurements were used to retrieve atmospheric water vapor profiles over ocean surface using the algorithm developed by Schaerer and Wilheit (1979). The algorithm incorporates a mechanism to estimate cloud liquid water when the estimated relative humidity is greater than 95 percent. The results are compared with estimated values from measurements taken by the Special Sensor Microwave/Imager (SSMI) and TIROS Operational Vertical Sounder (TOVS). The water vapor profiles estimated from AMMS are generally higher at low altitudes and lower at high altitudes than those from the TOVS measurements. Cloud liquid water is retrieved from both AMMS and SSM/I measurements over the same general regions. The retrieved water vapor profiles show more fluctuations in these regions. It is concluded that the AMMS with only four channels of measurements may not be able to retrieve both water vapor and cloud information with authority.

  8. Amino acid profiles as potential biomarkers for pediatric cancers: a preliminary communication.

    Science.gov (United States)

    Synakiewicz, Anna; Sawicka-Zukowska, Malgorzata; Adrianowska, Natalia; Galezowska, Grazyna; Ratajczyk, Joanna; Owczarzak, Anna; Konieczna, Lucyna; Stachowicz-Stencel, Teresa

    2017-08-03

    Childhood cancer remains one of the main cause of death in the pediatric population. Amino acids (AAs) level alterations in plasma are considered to play a role in carcinogenesis and further course of the disease. Seventy-seven children with cancer, including 47 with hematological and 30 with solid tumors were enrolled in this study and compared with healthy children. Twenty-two plasma-free AAs were determined by HPLC with fluorometric detection. The results revealed significant decrease in glutamine levels for oncological patients and significant increase in aspartic acid, glutamic acid, asparagine, serine, citrulline, alanine, GABA, tryptophan, methionine, valine, phenylalanine and isoleucine levels in cancer children versus control. Plasma-free AA profile as a biomarker, which combines metabolic and clinical data, as an innovative and interdisciplinary approach, may allow for faster detection of tumor occurrence, and in the future for monitoring patient during treatment, and possible prediction of cancer recurrence.

  9. Information profiles on potential occupational hazards: Inorganic chromium compounds. Draft report (Second)

    Energy Technology Data Exchange (ETDEWEB)

    1982-02-01

    Information profiles are presented for the following inorganic chromium compounds: chromic(VI) acid, chromic(III) hydroxide, chromic(III) oxide, chromic(III) sulfate, chromic(III) sulfate (basic), chromium dioxide, potassium dichromate(VI), lead chromate, sodium-chromate(VI), sodium-dichromate(VI), and zinc-yellow-chromate(VI). Biological effects of hexavalent chromium in humans included skin ulceration, dermatitis, nasal membrane irritation and ulceration, nasal septal perforation, rhinitis, nosebleed, nephritis, liver damage, epigastric pain, pulmonary congestion and edema, and erosion and discoloration of teeth. Chromium(VI) compounds caused mutations in a variety of systems. Exposure to trivalent chromium in the work place has caused contact dermatitis and chrome ulcers. Epidemiological studies indicated respiratory carcinogenicity among workers occupationally exposed during chromate production.

  10. Polycyclic aromatic hydrocarbons in urban street dust and surface soil: comparisons of concentration, profile, and source.

    Science.gov (United States)

    Wang, De-Gao; Yang, Meng; Jia, Hong-Liang; Zhou, Lei; Li, Yi-Fan

    2009-02-01

    Street dust and surface soil samples in urban areas of Dalian, a coastal city in Liaoning Province, China, were collected and analyzed for 25 polycyclic aromatic hydrocarbons (PAHs). The concentrations, distribution, and sources of PAHs in dust and soil were determined. The concentrations of total PAHs in street dust ranged between 1890 and 17,070 ng/g (dry weight), with an average of 7460 ng/g, whereas the concentrations of total PAHs in surface soil varied greatly, from 650 to 28,900 ng/g, with a mean value of 6440 ng/g. Statistical paired t-test confirmed that total PAH concentrations have no significant difference between street dust and surface soil. Mean PAH concentrations in two type samples were much higher at industrial sites than at business/residential or garden sites. PAHs were dominated by higher molecular weight PAH (4- to 6-ring) homologues, which accounted for about 73% and 72% of total PAHs in street dust and surface soil, respectively. Principal component analysis was used in source apportionment of PAHs in dust and soil. Pyrogenic and petrogenic sources contributed 70% and 22.4% of total PAHs in street dusts, and fossil fuel (coal and petroleum) and biomass combustion accounted for 64.4% and 5.6% of total PAHs in pyrogenic sources, respectively. In surface soil, total PAHs were dominated by pyrogenic sources. The diagnostic ratios of benz[a]anthracene/chrysene confirmed that PAHs in street dust and surface soil of a Dalian urban zone might come mostly from the emission of local sources.

  11. Cytotoxic potential and chromatogram profile of sarang semut tuber (Myrmecodia Pendans Merr. & Perry) after gamma irradiation

    International Nuclear Information System (INIS)

    Ermin Katrin Winarno; Susanto; Hendig Winarno; Siva Fauziah

    2015-01-01

    Sarang semut tuber (Myrmecodia pendans Merr. & Perry) has cytotoxic activity. Preservation efforts of sarang semut tuber was performed with gamma irradiation. The research purposed to study the effect of gamma on cytotoxic activity against leukemia L1210 cell lines and chromatogram profiles of sarang semut tuber (Myrmecodia pendans Merr. & Perry). The dried sarang semut tuber were gamma irradiated with a variety of doses of 5; 7.5; 10; and 15 kGy. The experiments were performed with two replicates for each dose. Then samples were macerated with solvent by gradient polarity with n-hexane, ethyl acetate, and ethanol. Extracts were tested against the leukemia L1210 cell lines. From the results obtained showed that the ethanol extract was the most active against leukemia L1210 cell lines (IC50 9.88 μg/ml) compared with n-heksan (IC50 23.44 μg/ml) and ethyl acetate extract (IC50 17.32 μg/ml). Ethanol extracts were fractionated by column chromatography, the result were obtained 7 fractions. Based on the cytotoxic activity test for each fraction, the fraction 1 had the highest activity (IC50 ≤ 3.23 μg/ml). The identifications of ethanol extract and fraction 1 by CLT-densitometry showed that the spots area increased and decreased after gamma irradiation. The chromatogram profile of fraction 1 showed that the major peak area decreased after irradiation. The maximum irradiation dose without damaging the cytotoxic activity of sarang semut tuber againts leukemia L1210 cell lines was 5 kGy. (author)

  12. Proteomic profiling in multiple sclerosis clinical courses reveals potential biomarkers of neurodegeneration.

    Directory of Open Access Journals (Sweden)

    Maria Liguori

    Full Text Available The aim of our project was to perform an exploratory analysis of the cerebrospinal fluid (CSF proteomic profiles of Multiple Sclerosis (MS patients, collected in different phases of their clinical course, in order to investigate the existence of peculiar profiles characterizing the different MS phenotypes. The study was carried out on 24 Clinically Isolated Syndrome (CIS, 16 Relapsing Remitting (RR MS, 11 Progressive (Pr MS patients. The CSF samples were analysed using the Matrix Assisted Laser Desorption Ionisation Time Of Flight (MALDI-TOF mass spectrometer in linear mode geometry and in delayed extraction mode (m/z range: 1000-25000 Da. Peak lists were imported for normalization and statistical analysis. CSF data were correlated with demographic, clinical and MRI parameters. The evaluation of MALDI-TOF spectra revealed 348 peak signals with relative intensity ≥ 1% in the study range. The peak intensity of the signals corresponding to Secretogranin II and Protein 7B2 were significantly upregulated in RRMS patients compared to PrMS (p<0.05, whereas the signals of Fibrinogen and Fibrinopeptide A were significantly downregulated in CIS compared to PrMS patients (p<0.04. Additionally, the intensity of the Tymosin β4 peak was the only signal to be significantly discriminated between the CIS and RRMS patients (p = 0.013. Although with caution due to the relatively small size of the study populations, and considering that not all the findings remained significant after adjustment for multiple comparisons, in our opinion this mass spectrometry evaluation confirms that this technique may provide useful and important information to improve our understanding of the complex pathogenesis of MS.

  13. Two small lymphocyte subpopulations in human peripheral blood. I. Purification and surface marker profiles

    DEFF Research Database (Denmark)

    Hokland, M; Hokland, P; Heron, I

    1978-01-01

    By means of simple rosette sedimentation methods two subsets from human peripheral blood lymphocytes have been isolated: (1) (E, Fc)- and (2) (E, Ig)-. The first subset was obtained by centrifuging suspensions of macrophage-depleted PBL in which E and EA rosettes had been allowed to form...... simultaneously. The dominant marker of these E- Fc- cells was surface Ig, and during 4 days of culture this population did not alter its surface markers. Subset 2 was obtained in two ways following rosette centrifugation with AET-treated SRBC and rabbit anti-human Ig-coated autologous RBC. This 'Null cell...

  14. Potential effects of groundwater and surface water contamination in an urban area, Qus City, Upper Egypt

    Science.gov (United States)

    Abdalla, Fathy; Khalil, Ramadan

    2018-05-01

    The potential effects of anthropogenic activities, in particular, unsafe sewage disposal practices, on shallow groundwater in an unconfined aquifer and on surface water were evaluated within an urban area by the use of hydrogeological, hydrochemical, and bacteriological analyses. Physicochemical and bacteriological data was obtained from forty-five sampling points based on33 groundwater samples from variable depths and 12 surface water samples. The pollution sources are related to raw sewage and wastewater discharges, agricultural runoff, and wastewater from the nearby Paper Factory. Out of the 33 groundwater samples studied, 17 had significant concentrations of NO3-, Cl- and SO42-, and high bacteria counts. Most of the water samples from the wells contained high Fe, Mn, Pb, Zn, Cd, and Cr. The majority of surface water samples presented high NO3- concentrations and high bacteria counts. A scatter plot of HCO3- versus Ca indicates that 58% of the surface water samples fall within the extreme contamination zone, while the others are within the mixing zone; whereas 94% of groundwater samples showed evidence of mixing between groundwater and wastewater. The bacteriological assessment showed that all measured surface and groundwater samples contained Escherichia coli and total coliform bacteria. A risk map delineated four classes of contamination, namely, those sampling points with high (39.3%), moderate (36.3%), low (13.3%), and very low (11.1%) levels of contamination. Most of the highest pollution points were in the middle part of the urban area, which suffers from unmanaged sewage and industrial effluents. Overall, the results demonstrate that surface and groundwater in Qus City are at high risk of contamination by wastewater since the water table is shallow and there is a lack of a formal sanitation network infrastructure. The product risk map is a useful tool for prioritizing zones that require immediate mitigation and monitoring.

  15. Potential energy surface of triplet N{sub 2}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Varga, Zoltan; Meana-Pañeda, Rubén; Song, Guoliang; Paukku, Yuliya; Truhlar, Donald G., E-mail: truhlar@umn.edu [Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 (United States)

    2016-01-14

    We present a global ground-state triplet potential energy surface for the N{sub 2}O{sub 2} system that is suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation. The surface is based on multi-state complete-active-space second-order perturbation theory/minimally augmented correlation-consistent polarized valence triple-zeta electronic structure calculations plus dynamically scaled external correlation. In the multireference calculations, the active space has 14 electrons in 12 orbitals. The calculations cover nine arrangements corresponding to dissociative diatom-diatom collisions of N{sub 2}, O{sub 2}, and nitric oxide (NO), the interaction of a triatomic molecule (N{sub 2}O and NO{sub 2}) with the fourth atom, and the interaction of a diatomic molecule with a single atom (i.e., the triatomic subsystems). The global ground-state potential energy surface was obtained by fitting the many-body interaction to 54 889 electronic structure data points with a fitting function that is a permutationally invariant polynomial in terms of bond-order functions of the six interatomic distances.

  16. Surface chemistry of gold nanoparticles determines the biocorona composition impacting cellular uptake, toxicity and gene expression profiles in human endothelial cells.

    Science.gov (United States)

    Chandran, Parwathy; Riviere, Jim E; Monteiro-Riviere, Nancy A

    2017-05-01

    This study investigated the role of nanoparticle size and surface chemistry on biocorona composition and its effect on uptake, toxicity and cellular responses in human umbilical vein endothelial cells (HUVEC), employing 40 and 80 nm gold nanoparticles (AuNP) with branched polyethyleneimine (BPEI), lipoic acid (LA) and polyethylene glycol (PEG) coatings. Proteomic analysis identified 59 hard corona proteins among the various AuNP, revealing largely surface chemistry-dependent signature adsorbomes exhibiting human serum albumin (HSA) abundance. Size distribution analysis revealed the relative instability and aggregation inducing potential of bare and corona-bound BPEI-AuNP, over LA- and PEG-AuNP. Circular dichroism analysis showed surface chemistry-dependent conformational changes of proteins binding to AuNP. Time-dependent uptake of bare, plasma corona (PC) and HSA corona-bound AuNP (HSA-AuNP) showed significant reduction in uptake with PC formation. Cell viability studies demonstrated dose-dependent toxicity of BPEI-AuNP. Transcriptional profiling studies revealed 126 genes, from 13 biological pathways, to be differentially regulated by 40 nm bare and PC-bound BPEI-AuNP (PC-BPEI-AuNP). Furthermore, PC formation relieved the toxicity of cationic BPEI-AuNP by modulating expression of genes involved in DNA damage and repair, heat shock response, mitochondrial energy metabolism, oxidative stress and antioxidant response, and ER stress and unfolded protein response cascades, which were aberrantly expressed in bare BPEI-AuNP-treated cells. NP surface chemistry is shown to play the dominant role over size in determining the biocorona composition, which in turn modulates cell uptake, and biological responses, consequently defining the potential safety and efficacy of nanoformulations.

  17. Analyses in zebrafish embryos reveal that nanotoxicity profiles are dependent on surface-functionalization controlled penetrance of biological membranes.

    Science.gov (United States)

    Paatero, Ilkka; Casals, Eudald; Niemi, Rasmus; Özliseli, Ezgi; Rosenholm, Jessica M; Sahlgren, Cecilia

    2017-08-21

    Mesoporous silica nanoparticles (MSNs) are extensively explored as drug delivery systems, but in depth understanding of design-toxicity relationships is still scarce. We used zebrafish (Danio rerio) embryos to study toxicity profiles of differently surface functionalized MSNs. Embryos with the chorion membrane intact, or dechoroniated embryos, were incubated or microinjected with amino (NH 2 -MSNs), polyethyleneimine (PEI-MSNs), succinic acid (SUCC-MSNs) or polyethyleneglycol (PEG-MSNs) functionalized MSNs. Toxicity was assessed by viability and cardiovascular function. NH 2 -MSNs, SUCC-MSNs and PEG-MSNs were well tolerated, 50 µg/ml PEI-MSNs induced 100% lethality 48 hours post fertilization (hpf). Dechoroniated embryos were more sensitive and 10 µg/ml PEI-MSNs reduced viability to 5% at 96hpf. Sensitivity to PEG- and SUCC-, but not NH 2 -MSNs, was also enhanced. Typically cardiovascular toxicity was evident prior to lethality. Confocal microscopy revealed that PEI-MSNs penetrated into the embryos whereas PEG-, NH2- and SUCC-MSNs remained aggregated on the skin surface. Direct exposure of inner organs by microinjecting NH 2 -MSNs and PEI-MSNs demonstrated that the particles displayed similar toxicity indicating that functionalization affects the toxicity profile by influencing penetrance through biological barriers. The data emphasize the need for careful analyses of toxicity mechanisms in relevant models and constitute an important knowledge step towards the development of safer and sustainable nanotherapies.

  18. Microwave radiometer to retrieve temperature profiles from the surface to the stratopause

    Directory of Open Access Journals (Sweden)

    O. Stähli

    2013-09-01

    Full Text Available TEMPERA (TEMPERature RAdiometer is a new ground-based radiometer which measures in a frequency range from 51–57 GHz radiation emitted by the atmosphere. With this instrument it is possible to measure temperature profiles from ground to about 50 km. This is the first ground-based instrument with the capability to retrieve temperature profiles simultaneously for the troposphere and stratosphere. The measurement is done with a filterbank in combination with a digital fast Fourier transform spectrometer. A hot load and a noise diode are used as stable calibration sources. The optics consist of an off-axis parabolic mirror to collect the sky radiation. Due to the Zeeman effect on the emission lines used, the maximum height for the temperature retrieval is about 50 km. The effect is apparent in the measured spectra. The performance of TEMPERA is validated by comparison with nearby radiosonde and satellite data from the Microwave Limb Sounder on the Aura satellite. In this paper we present the design and measurement method of the instrument followed by a description of the retrieval method, together with a validation of TEMPERA data over its first year, 2012.

  19. Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis.

    Science.gov (United States)

    Wilde, Markus; Ohno, Satoshi; Ogura, Shohei; Fukutani, Katsuyuki; Matsuzaki, Hiroyuki

    2016-03-29

    Nuclear reaction analysis (NRA) via the resonant (1)H((15)N,αγ)(12)C reaction is a highly effective method of depth profiling that quantitatively and non-destructively reveals the hydrogen density distribution at surfaces, at interfaces, and in the volume of solid materials with high depth resolution. The technique applies a (15)N ion beam of 6.385 MeV provided by an electrostatic accelerator and specifically detects the (1)H isotope in depths up to about 2 μm from the target surface. Surface H coverages are measured with a sensitivity in the order of ~10(13) cm(-2) (~1% of a typical atomic monolayer density) and H volume concentrations with a detection limit of ~10(18) cm(-3) (~100 at. ppm). The near-surface depth resolution is 2-5 nm for surface-normal (15)N ion incidence onto the target and can be enhanced to values below 1 nm for very flat targets by adopting a surface-grazing incidence geometry. The method is versatile and readily applied to any high vacuum compatible homogeneous material with a smooth surface (no pores). Electrically conductive targets usually tolerate the ion beam irradiation with negligible degradation. Hydrogen quantitation and correct depth analysis require knowledge of the elementary composition (besides hydrogen) and mass density of the target material. Especially in combination with ultra-high vacuum methods for in-situ target preparation and characterization, (1)H((15)N,αγ)(12)C NRA is ideally suited for hydrogen analysis at atomically controlled surfaces and nanostructured interfaces. We exemplarily demonstrate here the application of (15)N NRA at the MALT Tandem accelerator facility of the University of Tokyo to (1) quantitatively measure the surface coverage and the bulk concentration of hydrogen in the near-surface region of a H2 exposed Pd(110) single crystal, and (2) to determine the depth location and layer density of hydrogen near the interfaces of thin SiO2 films on Si(100).

  20. Improved stability and immunological potential of tetanus toxoid containing surface engineered bilosomes following oral administration.

    Science.gov (United States)

    Jain, Sanyog; Harde, Harshad; Indulkar, Anura; Agrawal, Ashish Kumar

    2014-02-01

    The present study was designed with the objective to investigate the stability and potential of glucomannan-modified bilosomes (GM-bilosomes) in eliciting immune response following oral administration. GM-bilosomes exhibited desired quality attributes simultaneously maintaining the chemical and conformation stability of the tetanus toxoid (TT) entrapped in to freeze dried formulations. The GM-bilosomes exhibited excellent stability in different simulated biological fluids and sustained release profile up to 24 h. GM-bilosomes elicited significantly higher (Ptetanus toxoid in the experiments. These GM-bilosomes not only elicited significantly higher systemic immune response as compared to bilosomes, niosomes and alum adsorbed orally administered TT, but also demonstrated mucosal immune response induction as well as cell mediated immune responses, which were not induced by the conventional route of immunization. © 2014.

  1. Surface potential measurement of the insulator with secondary electron caused by negative ion implantation

    International Nuclear Information System (INIS)

    Tsuji, Hiroshi; Toyota, Yoshitaka; Nagumo, Syoji; Gotoh, Yasuhito; Ishikawa, Junzo; Sakai, Shigeki; Tanjyo, Masayasu; Matsuda, Kohji.

    1994-01-01

    Ion implantation has the merit of the good controllability of implantation profile and low temperature process, and has been utilized for the impurity introduction in LSI production. However, positive ion implantation is carried out for insulator or insulated conductor substrates, their charged potential rises, which is a serious problem. As the requirement for them advanced, charge compensation method is not the effective means for resolving it. The negative ion implantation in which charging is little was proposed. When the experiment on the negative ion implantation into insulated conductors was carried out, it was verified that negative ion implantation is effective as the implantation process without charging. The method of determining the charged potential of insulators at the time of negative ion implantation by paying attention to the energy distribution of the secondary electrons emitted from substrates at the time was devised. The energy analyzer for measuring the energy distribution of secondary electrons was made, and the measurement of the charged potential of insulators was carried out. The principle of the measurement, the measuring system and the experimental results are reported. (K.I.)

  2. Prevalence and Profile of Phonological and Surface Subgroups in College Students With a History of Reading Disability.

    Science.gov (United States)

    Birch, Stacy L

    2016-07-01

    The purpose of the present study was to identify and characterize surface and phonological subgroups of readers among college students with a prior diagnosis of developmental reading disability (RD). Using a speeded naming task derived from Castles and Coltheart's subtyping study, we identified subgroups of readers from among college students with RD and then compared them on a number of component reading tasks. Most of our adults with RD showed a discrepancy in lexical versus sublexical reading skills. The majority of classified individuals were in the phonological dyslexia group, and this group's performance was worse than that of other groups on a range of reading-related tasks. Specifically, being relatively less skilled at reading nonwords compared to irregular words was associated with deficits in both sublexical and lexical tasks, and with unique deficits compared to the surface dyslexia group not only in an independent measure of phonological coding but also in spelling, rapid automatized naming, and speeded oral reading. The surface dyslexia group was small, and the pattern of results for these readers was not consistent with the predicted profile of a specific deficit in lexical and automatized reading processes. Our surface group did not show reduced skill in lexical mechanisms specifically, nor any unique deficit compared to the phonological group. These results seem more supportive of models of reading that place phonological processing impairments at the core of RD, with all other impairments being clearly subsidiary. © Hammill Institute on Disabilities 2014.

  3. Effects of geometric modulation and surface potential heterogeneity on electrokinetic flow and solute transport in a microchannel

    Science.gov (United States)

    Bera, Subrata; Bhattacharyya, S.

    2018-04-01

    A numerical investigation is performed on the electroosmotic flow (EOF) in a surface-modulated microchannel to induce enhanced solute mixing. The channel wall is modulated by placing surface-mounted obstacles of trigonometric shape along which the surface potential is considered to be different from the surface potential of the homogeneous part of the wall. The characteristics of the electrokinetic flow are governed by the Laplace equation for the distribution of external electric potential; the Poisson equation for the distribution of induced electric potential; the Nernst-Planck equations for the distribution of ions; and the Navier-Stokes equations for fluid flow simultaneously. These nonlinear coupled set of governing equations are solved numerically by a control volume method over the staggered system. The influence of the geometric modulation of the surface, surface potential heterogeneity and the bulk ionic concentration on the EOF is analyzed. Vortical flow develops near a surface modulation, and it becomes stronger when the surface potential of the modulated region is in opposite sign to the surface potential of the homogeneous part of the channel walls. Vortical flow also depends on the Debye length when the Debye length is in the order of the channel height. Pressure drop along the channel length is higher for a ribbed wall channel compared to the grooved wall case. The pressure drop decreases with the increase in the amplitude for a grooved channel, but increases for a ribbed channel. The mixing index is quantified through the standard deviation of the solute distribution. Our results show that mixing index is higher for the ribbed channel compared to the grooved channel with heterogeneous surface potential. The increase in potential heterogeneity in the modulated region also increases the mixing index in both grooved and ribbed channels. However, the mixing performance, which is the ratio of the mixing index to pressure drop, reduces with the rise in

  4. Fatigue accumulation and twitch potentiation during complex MVC-relative profiles.

    Science.gov (United States)

    Sonne, Michael W; Potvin, Jim R

    2015-08-01

    Fatigue accumulation can be significantly influenced by post-activation potentiation (PAP). This phenomenon leads to increased force generating capacity after a series of conditioning efforts. The purpose of our study was to examine how the order of force demands impacted muscle fatigue accumulation, and how fatigue was affected by potentiation. We had 33 participants complete one of four different force orders, consisting of 5 cycles of 12-s submaximal isometric "task plateaus". Every order consisted of 8 force plateaus of the different intensity, arranged in a different ways. A subset of 18 participants then received a stimulated muscle twitch, and all participants performed a brief MVC. Each task plateau was followed by a 12s long 10% MVC "reference plateau" also followed by twitch and MVC. Overall, the order of the force presentation only had an impact on fatigue levels and twitch potentiation during the first cycle. Maximum voluntary forces decreased, and twitch forces increased, at different rates between orders during the first cycle. At the end of each cycle, there was no difference between any of the orders in terms of twitch potentiation or decrease in MVC force. In a task that features identical force patterns, arranged in different orders, the order did not affect the final fatigue accumulation or potentiation level. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Perfect Composition Depth Profiling of Ionic Liquid Surfaces Using High-Resolution RBS/ERDA.

    Czech Academy of Sciences Publication Activity Database

    Nakajima, K.; Zolboo, E.; Ohashi, T.; Lísal, Martin; Kimura, K.

    2016-01-01

    Roč. 32, č. 10 (2016), s. 1089-1094 ISSN 0910-6340 R&D Projects: GA ČR(CZ) GA16-12291S Institutional support: RVO:67985858 Keywords : surface structure * ionic liquid * hydrogen Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.228, year: 2016

  6. Two small lymphocyte subpopulations in human peripheral blood. I. Purification and surface marker profiles

    DEFF Research Database (Denmark)

    Hokland, M; Hokland, P; Heron, I

    1978-01-01

    By means of simple rosette sedimentation methods two subsets from human peripheral blood lymphocytes have been isolated: (1) (E, Fc)- and (2) (E, Ig)-. The first subset was obtained by centrifuging suspensions of macrophage-depleted PBL in which E and EA rosettes had been allowed to form simultan......By means of simple rosette sedimentation methods two subsets from human peripheral blood lymphocytes have been isolated: (1) (E, Fc)- and (2) (E, Ig)-. The first subset was obtained by centrifuging suspensions of macrophage-depleted PBL in which E and EA rosettes had been allowed to form...... simultaneously. The dominant marker of these E- Fc- cells was surface Ig, and during 4 days of culture this population did not alter its surface markers. Subset 2 was obtained in two ways following rosette centrifugation with AET-treated SRBC and rabbit anti-human Ig-coated autologous RBC. This 'Null cell...... population' was shown to be highly variable as judged by the surface markers applied after 4 days of culture, and it is suggested that Null cells contain a number of immature lymphoid cells that may acquire their surface marker during culture. It is concluded that the methods described for purification...

  7. Neutron activation analysis to the profile surface sediments from several sites on the Havana Bay

    International Nuclear Information System (INIS)

    Diaz Riso, O.; Gelen, A.; Lopez, N.; Gonzalez, H.; Manso, M.V.; Graciano, A.M.; Nogueira, C.A.; Beltran, J.; Soto, J.

    2003-01-01

    Instrumental neutron activation analysis (INAA) technique was employed to analyze the surface sediments from several sites on the Havana Bay, Cuba. Measurements of heavy and trace elements in the sediments are reported. The results show that the concentration of the elements is site dependent. The data suggest that an anthropogenic input into the bay from domestic sewage and industries occurred

  8. NEXAFS Depth Profiling of Surface Segregation in Block Copolymer Thin Films

    Science.gov (United States)

    2010-01-01

    filtered using a 450 nm syringe filter and spin -coated on silicon wafers. A Cee model 100CB spin coater was used at a rotational speed of 2000 rpm for 30 s...at the surface is of thermodynamic origin or of kinetic origin (that is, dependent on polarity of the solvent used for spin coating, solvent

  9. Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 1. Adiabatic and diabatic potential surfaces

    NARCIS (Netherlands)

    Fishchuk, A.V.; Merritt, J.M.; Avoird, A. van der

    2007-01-01

    The three adiabatic potential surfaces of the Br(P-2)-HCN complex that correlate to the P-2 ground state of the Br atom were calculated ab initio. With the aid of a geometry-dependent diabatic mixing angle, also calculated ab initio, these adiabatic potential surfaces were transformed into a set of

  10. A ANALYSIS OF THE POTENTIAL AND ENTREPRENEURIAL PROFILE OF BUSINESS ADMINISTRATION STUDENTS AND UNIVERSITY ENVIRONMENT: REFLECTIONS FOR EDUCATIONAL INSTITUTIONS

    Directory of Open Access Journals (Sweden)

    Edson Sadao Iizuka

    2014-09-01

    Full Text Available The importance of entrepreneurship in Brazil has increased significantly over recent years and current studies addressthe topic from different perspectives. The role of youth in creating new business is already a reality, which is only expected to expand in the coming years. Incentives to entrepreneurship in universities can be observed in several ways, including: government action, private initiatives and schools with a growing number of courses and activities related toentrepreneurship. The objective of this research was to analyze the entrepreneurial profile of Business Administration students in a private college and student insight into the university environment. We sought to understand how students with different profiles and at different phases in the course evaluate the university environment in which they operate, seeking to understand possible implications for the educational institution. We adopted a quantitative research approach and the results were presented using descriptive statistics. The main result of the paper presents a tool for measuring students’ entrepreneurial profiles and potential, as well as for assessing the university environment in terms of entrepreneurship and its implications for teaching and learning in higher education institutions.

  11. Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations.

    Science.gov (United States)

    Zhang, Yuxin; Huang, Xiaoqin; Han, Keli; Zheng, Fang; Zhan, Chang-Guo

    2016-11-25

    The combined molecular dynamics (MD) and potential of mean force (PMF) simulations have been performed to determine the free energy profile of the CocE)-(+)-cocaine binding process in comparison with that of the corresponding CocE-(-)-cocaine binding process. According to the MD simulations, the equilibrium CocE-(+)-cocaine binding mode is similar to the CocE-(-)-cocaine binding mode. However, based on the simulated free energy profiles, a significant free energy barrier (∼5 kcal/mol) exists in the CocE-(+)-cocaine binding process whereas no obvious free energy barrier exists in the CocE-(-)-cocaine binding process, although the free energy barrier of ∼5 kcal/mol is not high enough to really slow down the CocE-(+)-cocaine binding process. In addition, the obtained free energy profiles also demonstrate that (+)-cocaine and (-)-cocaine have very close binding free energies with CocE, with a negligible difference (∼0.2 kcal/mol), which is qualitatively consistent with the nearly same experimental K M values of the CocE enzyme for (+)-cocaine and (-)-cocaine. The consistency between the computational results and available experimental data suggests that the mechanistic insights obtained from this study are reasonable. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  12. Oral cancer cells with different potential of lymphatic metastasis displayed distinct biologic behaviors and gene expression profiles.

    Science.gov (United States)

    Zhuang, Zhang; Jian, Pan; Longjiang, Li; Bo, Han; Wenlin, Xiao

    2010-02-01

    Oral squamous cell carcinoma (OSCC) often spreads from the primary tumor to regional lymph nodes in the early stage. Better understanding of the biology of lymphatic spread of oral cancer cells is important for improving the survival rate of cancer patients. We established the cell line LNMTca8113 by repeated injections in foot pads of nude mice, which had a much higher lymphatic metastasis rate than its parental cell line Tca8113. Then, we compared the biologic behaviors of cancer cells between them. Moreover, microarray-based expression profiles between them were also compared, and a panel of differential genes was validated using real-time-PCR. In contrast to Tca8113 cells, LNMTca8113 cells were more proliferative and resistant to apoptosis in the absence of serum, and had enhanced ability of inducing capillary-like structures. Moreover, microarray-based expression profiles between them identified 1341 genes involved in cell cycle, cell adhesion, lymphangiogenesis, regulation of apoptosis, and so on. Some genes dedicating to the metastatic potential, including JAM2, TNC, CTSC, LAMB1, VEGFC, HAPLN1, ACPP, GDF9 and FGF11, were upregulated in LNMTca8113 cells. These results suggested that LNMTca8113 and Tca8113 cells were proper models for lymphatic metastasis study because there were differences in biologic behaviors and metastasis-related genes between them. Additionally, the differentially expressed gene profiles in cancer progression may be helpful in exploring therapeutic targets and provide the foundation for further functional validation of these specific candidate genes for OSCC.

  13. High Accuracy Potential Energy Surface, Dipole Moment Surface, Rovibrational Energies and Line List Calculations for ^{14}NH_3

    Science.gov (United States)

    Coles, Phillip; Yurchenko, Sergei N.; Polyansky, Oleg; Kyuberis, Aleksandra; Ovsyannikov, Roman I.; Zobov, Nikolay Fedorovich; Tennyson, Jonathan

    2017-06-01

    We present a new spectroscopic potential energy surface (PES) for ^{14}NH_3, produced by refining a high accuracy ab initio PES to experimental energy levels taken predominantly from MARVEL. The PES reproduces 1722 matched J=0-8 experimental energies with a root-mean-square error of 0.035 cm-1 under 6000 cm^{-1} and 0.059 under 7200 cm^{-1}. In conjunction with a new DMS calculated using multi reference configuration interaction (MRCI) and H=aug-cc-pVQZ, N=aug-cc-pWCVQZ basis sets, an infrared (IR) line list has been computed which is suitable for use up to 2000 K. The line list is used to assign experimental lines in the 7500 - 10,500 cm^{-1} region and previously unassigned lines in HITRAN in the 6000-7000 cm^{-1} region. Oleg L. Polyansky, Roman I. Ovsyannikov, Aleksandra A. Kyuberis, Lorenzo Lodi, Jonathan Tennyson, Andrey Yachmenev, Sergei N. Yurchenko, Nikolai F. Zobov, J. Mol. Spec., 327 (2016) 21-30 Afaf R. Al Derzia, Tibor Furtenbacher, Jonathan Tennyson, Sergei N. Yurchenko, Attila G. Császár, J. Quant. Spectrosc. Rad. Trans., 161 (2015) 117-130

  14. Potential sputtering of target ions by Ar q+, Pb q+ projectiles from a silicon surface

    International Nuclear Information System (INIS)

    Wang, T.S.; Zhao, Y.T.; Peng, H.B.; Wang, S.W.; Fang, Y.; Ding, D.J.; Xiao, G.Q.

    2007-01-01

    Highly charged ions have been expected to be a powerful tool for the surface modification in nano-scale. The potential sputtering of highly charged ions on semi-conductors has the potential to be applied in the micro electronics and nano-technology. In this work, the Ar q+ and Pb q+ ions produced by an electron cyclotron resonance ion source have been used as projectiles to study their potential sputtering on silicon surface. The relative sputtering ion yield is measured with a micro-channel plate, correlated to the incidence angle, charge state and velocity of ions. The experimental results show evidently charge dependence and velocity dependence. The yield induced by the ions changes steeply with the incidence angle, which is much larger than the impact of single charged ion with the same velocity. In the case of Pb 36+ impact, a significant enhancement of the yield has been observed, while the q > 20. At the same time, the yield increases proportionally with the ion velocity. However, in the case of Ar 16+ , the yield decreases versus the increase of the velocity

  15. Measurement of the electric potential at the surface of nonuniformly charged polypropylene nonwoven media

    Science.gov (United States)

    Fatihou, Ali; Zouzou, Noureddine; Iuga, Gheorghe; Dascalescu, Lucian

    2015-10-01

    The aim of this paper is to establish the conditions in which the vibrating capacitive probe of an electrostatic voltmeter could be employed for mapping the electric potential at the surface of non-uniformly charged insulating bodies. A first set of experiments are performed on polypropylene non-woven media (thickness: 0.4 mm; fiber diameter: 20 μm) in ambient air. In a second set of experiments the non-uniformity of charge is simulated using five copper strips (width: 2 mm or 3 mm; distance between strips: 2 mm). All the strips are connected to a high-voltage supply (Vs = 1000 V). The sample carrier is attached to a computer-controlled positioning system that transfers it under the capacitive probe (TREK, model 3451) of an electrostatic voltmeter (TREK, model 1341B). The measurements are performed at various relative speeds Vb between the sample and the probe, and for various sample rates Fe. A first set of experiments point out that the electric potential displayed by the electrostatic voltmeter depends on the spacing h between the sample and the probe. The diameter D of the spot “seen” by the probe is approximately D ≈ 8h/3. From the second set of experiments performed with the test plate, it can be concluded that the surface potential can be measured with the media in motion, but the accuracy is limited by the spatial resolution defined by k = Vb/Fe.

  16. Multiparametric Kelvin Probe Force Microscopy for the Simultaneous Mapping of Surface Potential and Nanomechanical Properties.

    Science.gov (United States)

    Xie, Hui; Zhang, Hao; Hussain, Danish; Meng, Xianghe; Song, Jianmin; Sun, Lining

    2017-03-21

    We report high-resolution multiparametric kelvin probe force microscopy (MP-KPFM) measurements for the simultaneous quantitative mapping of the contact potential difference (CPD) and nanomechanical properties of the sample in single-pass mode. This method combines functionalities of the force-distance-based atomic force microscopy and amplitude-modulation (AM) KPFM to perform measurements in single-pass mode. During the tip-sample approach-and-retract cycle, nanomechanical measurements are performed for the retract part of nanoindentation, and the CPD is measured by the lifted probe with a constant tip-sample distance. We compare the performance of the proposed method with the conventional KPFMs by mapping the CPD of multilayer graphene deposited on n-doped silicon, and the results demonstrate that MP-KPFM has comparable performance to AM-KPFM. In addition, the experimental results of a custom-fabricated polymer grating with heterogeneous surfaces validate the multiparametric imaging capability of the MP-KPFM. This method can have potential applications in finding the inherent link between nanomechanical properties and the surface potential of the materials, such as the quantification of the electromechanical response of the deformed piezoelectric materials.

  17. GENE AND PROTEIN EXPRESSION PROFILING OF PANCREATIC TUMOURS REVEAL DYSREGULATED PATHWAYS AND NOVEL POTENTIAL BIOMARKER.

    Science.gov (United States)

    Nweke, E N; Ntwasa, M N; Brand, M B; Devar, J D; Smith, M D; Candy, G P

    2017-06-01

    Pancreatic cancer (PDAC) is a deadly type of cancer with almost an equal amount of new cases and deaths observed yearly. It accounts for about 7% of cancer-related deaths worldwide. In many multi-racial societies including South Africa, the black population has the highest incidence rate. Less than 5% of PDAC patients live up to 5 years. The lack of specific and sensitive diagnostic PDAC biomarkers is strongly responsible for this poor statistic. The discovery of differentially expressed genes and proteins associated with PDAC is crucial to elucidating this condition and may lead to biomarker finding and further understanding of the disease. Tissue samples were obtained from Black South African PDAC patients during the Whipple procedure. Using focused arrays and RNA Sequencing, we have shown differentially expressed genes and proteins between tumour and normal tissue samples of PDAC patients in the quest for potential biomarker discovery. Furthermore, we utilised multiple bioinformatics tools to identify pathways and biological processes enriched by differentially expressed genes/proteins, and to discover novel variants and novel potential PDAC biomarkers. Real-time PCR and ELISA were also employed to validate our novel potential PDAC biomarker. We have identified novel 1) potential transcriptomic and 2) proteomic biomarkers of pancreatic cancer. Our identified transcriptomic biomarker has a sensitivity and specificity of 100% and 80% respectively. Furthermore, we observed novel genetic variants and dysregulated pathways occurring during pancreatic carcinogenesis. This study has identified novel potential biomarkers which can help in the diagnosis of PDAC. Information obtained from enriched signalling pathways help in further understanding the biology of PDAC. Going forward, the identified novel potential biomarkers need to be further validated in a larger sample number using easily accessible samples like blood.

  18. Modeling Images of Natural 3D Surfaces: Overview and Potential Applications

    Science.gov (United States)

    Jalobeanu, Andre; Kuehnel, Frank; Stutz, John

    2004-01-01

    Generative models of natural images have long been used in computer vision. However, since they only describe the of 2D scenes, they fail to capture all the properties of the underlying 3D world. Even though such models are sufficient for many vision tasks a 3D scene model is when it comes to inferring a 3D object or its characteristics. In this paper, we present such a generative model, incorporating both a multiscale surface prior model for surface geometry and reflectance, and an image formation process model based on realistic rendering, the computation of the posterior model parameter densities, and on the critical aspects of the rendering. We also how to efficiently invert the model within a Bayesian framework. We present a few potential applications, such as asteroid modeling and Planetary topography recovery, illustrated by promising results on real images.

  19. CASSCF/CI calculations of electronic states and potential energy surfaces of PtH2

    International Nuclear Information System (INIS)

    Balasubramanian, K.

    1987-01-01

    Complete active space MCSCF followed by MRSDCI (multireference singles and doubles configuration interaction) calculations are carried out on the electronic states of PtH 2 . Spin--orbit interaction is introduced using a relativistic configuration interaction scheme on PtH + whose d orbital Mulliken population is close to that of the d population of PtH 2 and thus enables calculation of spin--orbit splittings for the electronic states of PtH 2 . The bending potential energy surfaces of the 1 A 1 and 3 A 1 states are obtained. The 1 A 1 surface has a bent minimum and dissociates almost without a barrier into Pt( 1 S 0 ) and H 2 , while the 3 A 1 state has a large (--55 kcal/mol) barrier to dissociation into Pt( 3 D 3 )+H 2 . The ground state of PtH 2 is a bent 1 A 1 state (θ = 85 0 )

  20. Rotational Energy Transfer of N2 Determined Using a New Ab Initio Potential Energy Surface

    Science.gov (United States)

    Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    A new N2-N2 rigid-rotor surface has been determined using extensive Ab Initio quantum chemistry calculations together with recent experimental data for the second virial coefficient. Rotational energy transfer is studied using the new potential energy surface (PES) employing the close coupling method below 200 cm(exp -1) and coupled state approximation above that. Comparing with a previous calculation based on the PES of van der Avoird et al.,3 it is found that the new PES generally gives larger cross sections for large (delta)J transitions, but for small (delta)J transitions the cross sections are either comparable or smaller. Correlation between the differences in the cross sections and the two PES will be attempted. The computed cross sections will also be compared with available experimental data.

  1. Potential Impact on Clinical Decision Making via a Genome-Wide Expression Profiling: A Case Report

    Directory of Open Access Journals (Sweden)

    Hyun Kim

    2016-11-01

    Full Text Available Management of men with prostate cancer is fraught with uncertainty as physicians and patients balance efficacy with potential toxicity and diminished quality of life. Utilization of genomics as a prognostic biomarker has improved the informed decision-making process by enabling more rationale treatment choices. Recently investigations have begun to determine whether genomic information from tumor transcriptome data can be used to impact clinical decision-making beyond prognosis. Here we discuss the potential of genomics to alter management of a patient who presented with high-risk prostate adenocarcinoma. We suggest that this information help selecting patients for advanced imaging, chemotherapies, or clinical trial.

  2. Profile of certolizumab and its potential in the treatment of psoriatic arthritis

    Directory of Open Access Journals (Sweden)

    Chimenti MS

    2013-04-01

    Full Text Available Maria Sole Chimenti,1 Rosita Saraceno,2 Andrea Chiricozzi,2,3 Alessandro Giunta,2 Sergio Chimenti,2 Roberto Perricone11Unit of Rheumatology, Allergology, and Clinical Immunology, 2Unit of Dermatology, University of Rome Tor Vergata, Rome, Italy; 3Laboratory for Investigative Dermatology, Rockefeller University, New York, NY, USAAbstract: Psoriatic arthritis (PsA is a chronic inflammatory arthropathy associated with psoriasis (PsO. PsA could be considered an enthesal disease because of the link between mechanical stress (entheses and immunologically active tissue (synovium. Evidence of efficacy of anti-tumor necrosis factor alpha (TNF-α is supported by reduction of histological vascularity and immune cell infiltrates in synovial tissue after treatment. Certolizumab pegol (CZP is a polyethylene glycolylated (PEGylated Fab′ fragment of a humanized monoclonal antibody that binds and neutralizes human TNF-α. The PEG moiety of the Fab fragment, markedly increases the half-life of CZP and confers to the drug a unique structure that differs from the other anti-TNF-α agents tested for the treatment of Crohn’s disease, rheumatoid arthritis, ankylosing spondylitis, axial spondyloarthritis, nonradiographic spondyloarthritis, PsO, and PsA. In contrast to other anti-TNF-α agents, CZP did not mediate increased levels of apoptosis, suggesting that these mechanisms are not essential for the anti-TNF-α efficacy in Crohn’s disease. As CZP, infliximab, and adalimumab, but not etanercept, almost completely inhibited lipopolysaccharide-induced interleukin-1 beta release from monocytes, this cytokine-production inhibition may be relevant for drug efficacy. Due to these characteristics, it has been demonstrated in clinical studies that CZP effectively improves signs and symptoms of arthritis and physical function and skin manifestations of PsO, with a safety profile similar to rheumatoid arthritis. This drug can be considered as a valid treatment in patients

  3. Wash-off potential of urban use insecticides on concrete surfaces.

    Science.gov (United States)

    Jiang, Weiying; Lin, Kunde; Haver, Darren; Qin, Sujie; Ayre, Gilboa; Spurlock, Frank; Gan, Jay

    2010-06-01

    Contamination of surface aquatic systems by insecticides is an emerging concern in urban watersheds, but sources of contamination are poorly understood, hindering development of regulatory or mitigation strategies. Hardscapes such as concrete surfaces are considered an important facilitator for pesticide runoff following applications around homes. However, pesticide behavior on concrete has seldom been studied, and standardized evaluation methods are nonexistent. In the present study, a simple batch method for measuring pesticide wash-off potential from concrete surfaces was developed, and the dependence of washable pesticide residues was evaluated on pesticide types, formulations, time exposed to outdoor conditions, and number of washing cycles. After application to concrete, the washable fraction of four pyrethroids (bifenthrin, permethrin, cyfluthrin, and cyhalothrin) and fipronil rapidly decreased, with half-lives residues were still found in the wash-off solution for most treatments after 112 d. The slow decrease may be attributed to a fraction of pesticides being isolated from degradation or volatilization after retention below the concrete surface. Wash-off potential was consistently higher for solid formulations than for liquid formulations, implying an increased runoff contamination risk for granular and powder formulations. Trace levels of pyrethroids were detected in the wash-off solution even after 14 washing-drying cycles over 42 d under outdoor conditions. Results from the present study suggest that pesticide residues remain on concrete and are available for contaminating runoff for a prolonged time. Mechanisms for the long persistence were not clearly known from the present study and merit further investigation. Copyright 2010 SETAC.

  4. Surface Electrical Potentials of Root Cell Plasma Membranes: Implications for Ion Interactions, Rhizotoxicity, and Uptake

    Directory of Open Access Journals (Sweden)

    Yi-Min Wang

    2014-12-01

    Full Text Available Many crop plants are exposed to heavy metals and other metals that may intoxicate the crop plants themselves or consumers of the plants. The rhizotoxicity of heavy metals is influenced strongly by the root cell plasma membrane (PM surface’s electrical potential (ψ0. The usually negative ψ0 is created by negatively charged constituents of the PM. Cations in the rooting medium are attracted to the PM surface and anions are repelled. Addition of ameliorating cations (e.g., Ca2+ and Mg2+ to the rooting medium reduces the effectiveness of cationic toxicants (e.g., Cu2+ and Pb2+ and increases the effectiveness of anionic toxicants (e.g., SeO42− and H2AsO4−. Root growth responses to ions are better correlated with ion activities at PM surfaces ({IZ}0 than with activities in the bulk-phase medium ({IZ}b (IZ denotes an ion with charge Z. Therefore, electrostatic effects play a role in heavy metal toxicity that may exceed the role of site-specific competition between toxicants and ameliorants. Furthermore, ψ0 controls the transport of ions across the PM by influencing both {IZ}0 and the electrical potential difference across the PM from the outer surface to the inner surface (Em,surf. Em,surf is a component of the driving force for ion fluxes across the PM and controls ion-channel voltage gating. Incorporation of {IZ}0 and Em,surf into quantitative models for root metal toxicity and uptake improves risk assessments of toxic metals in the environment. These risk assessments will improve further with future research on the application of electrostatic theory to heavy metal phytotoxicity in natural soils and aquatic environments.

  5. Theoretical characterization of the potential energy surface for H + O2 yields HO2(asterisk) yields HO + O. II - The potential for H atom exchange in HO2

    Science.gov (United States)

    Walch, Stephen P.; Rohlfing, Celeste Mcmichael

    1989-01-01

    The results of CASSCF multireference contracted CI calculations with large ANO basis sets are presented for the exchange region of the HO2 potential-energy surface. The saddle point for H atom exchange is about 13 kcal/mol below the energy of H + O2; therefore, this region of the surface should be accessible during H + O2 recombination and methathesis reactions.

  6. Control of parallel and perpendicular potential profiles in open-ended plasma confinement systems

    International Nuclear Information System (INIS)

    Sato, N.; Hatakeyama, R.; Kanebo, T.; Inutake, M.; Yoshinuma, M.; Hattori, K.; Ando, A.

    2001-01-01

    A plug potential with thermal barrier is clearly observed to be formed along a field-aligned plasma flow in the presence of a single electron-cyclotron-resonance point under a simple magnetic-mirror configuration. Drift-mode fluctuations are controlled by varying a radial electric field and a related azimuthal drift shear. (author)

  7. Spoilage potential and sensory profile associated with bacteria isolated from cold-smoked salmon

    OpenAIRE

    Stohr, Valerie; Joffraud, Jean-jacques; Cardinal, Mireille; Leroi, Francoise

    2001-01-01

    Off-odours/flavours associated with cold-smoked salmon spoilage are due to the activity of microflora. This study evaluated the spoilage potential of nine bacterial groups (Shewanella putrefaciens, Brochothrix thermosphacta, Aeromonas spp., Lactobacillus alimentarius, Lactobacillus sake,Lactobacillus farciminis, Carnobacterium piscicola, Photobacterium phosphoreum and Serratia liquefaciens) isolated from cold-smoked salmon. Five different isolates from each group were inoculated into sterile ...

  8. Pharmacological profiling of Argemone mexicana for its aphrodisiac potentials in male Wistar rats

    Directory of Open Access Journals (Sweden)

    Asuntha G

    2014-06-01

    Conclusion: The EEAM has elevated sexual dysfunctions in male rats. These potentials may be related to protopine alkaloids and flavanols by means of physiological stimulus for penile vasculature. Thus, results support the use of EEAM in enhancing sexual behavior in sluggish male rats.

  9. A new temperature profiling probe for investigating groundwater-surface water interaction

    Science.gov (United States)

    Naranjo, Ramon C.; Robert Turcotte,

    2015-01-01

    Measuring vertically nested temperatures at the streambed interface poses practical challenges that are addressed here with a new discrete subsurface temperature profiling probe. We describe a new temperature probe and its application for heat as a tracer investigations to demonstrate the probe's utility. Accuracy and response time of temperature measurements made at 6 discrete depths in the probe were analyzed in the laboratory using temperature bath experiments. We find the temperature probe to be an accurate and robust instrument that allows for easily installation and long-term monitoring in highly variable environments. Because the probe is inexpensive and versatile, it is useful for many environmental applications that require temperature data collection for periods of several months in environments that are difficult to access or require minimal disturbance.

  10. GEOS-3 ocean current investigation using radar altimeter profiling. [Gulf Stream surface topography

    Science.gov (United States)

    Leitao, C. D.; Huang, N. E.; Parra, C. G.

    1978-01-01

    Both quasi-stationary and dynamic departures from the marine geoid were successfully detected using altitude measurements from the GEOS-3 radar altimeter. The quasi-stationary departures are observed either as elevation changes in single pass profiles across the Gulf Stream or at the crowding of contour lines at the western and northern areas of topographic maps generated using altimeter data spanning one month or longer. Dynamic features such as current meandering and spawned eddies can be monitored by comparing monthly mean maps. Comparison of altimeter inferred eddies with IR detected thermal rings indicates agreement of the two techniques. Estimates of current velocity are made using derived slope estimates in conjunction with the geostrophic equation.

  11. Comparison of congener profiles of polychlorinated biphenyls between Yu-cheng children and a potential food source

    Energy Technology Data Exchange (ETDEWEB)

    Lung Shih-Chun Candice [Research Center for Environmental Changes, Academia Sinica, Taipei (Taiwan); Guo Yu-Liang Leon; Chang Ho-Yuan [Dept. of Environmental and Occupational Health, Coll. of Medicine, National Cheng Kung Univ., Tainan (Taiwan)

    2004-09-15

    In 1979, about two thousand people in central Taiwan were intoxicated by consumption of the rice oil that was contaminated with polychlorinated biphenyls (PCBs). This ''Yu-cheng'' incident was one of the two human tragedies which people ingested substantial amounts of PCBs within a short period of time. Some of the follow-up epidemiological studies focused on the children born to the exposed mothers, the Yu-cheng children, since they could be exposed to PCBs via breast-feeding or transplacental transfer. This report presents the results of the serum PCB levels of the 21 Yu-cheng children with a congener-specific analysis. On the other hand, fish consumption is thought to be the single most important exposure route to PCBs to the general public; thus, it is crucial to understand PCB exposure from fish consumption. In a separated study to assess PCB contamination in fish, PCB congener concentrations in tilapia (Oreochromis hybrids), the most popular fish in Taiwan, were evaluated. The consumption quantity of tilapia is the highest throughout the Island. It is mostly farmed in fresh water but can also be bred in saltwater. This report presents the concentrations and profiles in the serums of the Yu-cheng children. The congener profile is compared with PCB profile in the serum of Yu-cheng women reported previously and that in one of the potentially significant exposure source, tilapia, conducted in a separated work. Remarkable similarity between the profile of Yu-cheng children and that of the tilapia is revealed and discussed.

  12. Health risk implications of potentially toxic metals in street dust and surface soil of Tehran, Iran.

    Science.gov (United States)

    Dehghani, Sharareh; Moore, Farid; Keshavarzi, Behnam; Hale, Beverley A

    2017-02-01

    In this study a total of 30 street dusts and 10 surface soils were collected in the central district of Tehran and analyzed for major potentially toxic metals. Street dust was found to be greatly enriched in Sb, Pb, Cu and Zn and moderately enriched in Cr, Mn, Mo and Ni. Contamination of Cu, Sb, Pb and Zn was clearly related to anthropogenic sources such as brake wear, tire dust, road abrasion and fossil fuel combustion. Spatial distribution of pollution load index in street dust suggested that industries located south-west of the city intensify street dust pollution. Microscopic studies revealed six dominant group of morphological structures in calculation of the exposurethe street dusts and surface soils, with respect to different geogenic and anthropogenic sources. The BCR (the European Community Bureau of Reference) sequential extraction results showed that Sb, Ni, Mo, As and Cr bonded to silicates and sulfide minerals were highly resistant to dissolution. In contrast, Zn, Cd, and Mn were mostly associated with the exchangeable phase and thus would be easily mobilized in the environment. Cu was the most abundant metal in the reducible fraction, indicating its adsorption to iron and manganese oxy-hydroxides. Pb was equally extracted from exchangeable and reducible fractions. Anthropogenic sources related to traffic apparently play a small role in Cr, Ni and Mo contamination and dispersed them as bioavailable forms but with reduced mobility and bioavailablity due to high potential of complexation and adsorption to organic matter and iron and manganese oxy-hydroxides. Calculated Hazard Index (HI) suggests ingestion as the most important pathway for the majority of PTMs in children and dermal contact as the main exposure route for Cr, Cd and Sb for adults. The HIs and fractionation pattern of elements revealed Pb as the sole element that bears potential health risk in street dust and surface soil. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. Mining for diagnostic information in body surface potential maps: A comparison of feature selection techniques

    Directory of Open Access Journals (Sweden)

    McCullagh Paul J

    2005-09-01

    Full Text Available Abstract Background In body surface potential mapping, increased spatial sampling is used to allow more accurate detection of a cardiac abnormality. Although diagnostically superior to more conventional electrocardiographic techniques, the perceived complexity of the Body Surface Potential Map (BSPM acquisition process has prohibited its acceptance in clinical practice. For this reason there is an interest in striking a compromise between the minimum number of electrocardiographic recording sites required to sample the maximum electrocardiographic information. Methods In the current study, several techniques widely used in the domains of data mining and knowledge discovery have been employed to mine for diagnostic information in 192 lead BSPMs. In particular, the Single Variable Classifier (SVC based filter and Sequential Forward Selection (SFS based wrapper approaches to feature selection have been implemented and evaluated. Using a set of recordings from 116 subjects, the diagnostic ability of subsets of 3, 6, 9, 12, 24 and 32 electrocardiographic recording sites have been evaluated based on their ability to correctly asses the presence or absence of Myocardial Infarction (MI. Results It was observed that the wrapper approach, using sequential forward selection and a 5 nearest neighbour classifier, was capable of choosing a set of 24 recording sites that could correctly classify 82.8% of BSPMs. Although the filter method performed slightly less favourably, the performance was comparable with a classification accuracy of 79.3%. In addition, experiments were conducted to show how (a features chosen using the wrapper approach were specific to the classifier used in the selection model, and (b lead subsets chosen were not necessarily unique. Conclusion It was concluded that both the filter and wrapper approaches adopted were suitable for guiding the choice of recording sites useful for determining the presence of MI. It should be noted however

  14. Identifying Key Issues and Potential Solutions for Integrated Arrival, Departure, Surface Operations by Surveying Stakeholder Preferences

    Science.gov (United States)

    Aponso, Bimal; Coppenbarger, Richard A.; Jung, Yoon; Quon, Leighton; Lohr, Gary; O’Connor, Neil; Engelland, Shawn

    2015-01-01

    NASA's Aeronautics Research Mission Directorate (ARMD) collaborates with the FAA and industry to provide concepts and technologies that enhance the transition to the next-generation air-traffic management system (NextGen). To facilitate this collaboration, ARMD has a series of Airspace Technology Demonstration (ATD) sub-projects that develop, demonstrate, and transitions NASA technologies and concepts for implementation in the National Airspace System (NAS). The second of these sub-projects, ATD-2, is focused on the potential benefits to NAS stakeholders of integrated arrival, departure, surface (IADS) operations. To determine the project objectives and assess the benefits of a potential solution, NASA surveyed NAS stakeholders to understand the existing issues in arrival, departure, and surface operations, and the perceived benefits of better integrating these operations. NASA surveyed a broad cross-section of stakeholders representing the airlines, airports, air-navigation service providers, and industry providers of NAS tools. The survey indicated that improving the predictability of flight times (schedules) could improve efficiency in arrival, departure, and surface operations. Stakeholders also mentioned the need for better strategic and tactical information on traffic constraints as well as better information sharing and a coupled collaborative planning process that allows stakeholders to coordinate IADS operations. To assess the impact of a potential solution, NASA sketched an initial departure scheduling concept and assessed its viability by surveying a select group of stakeholders for a second time. The objective of the departure scheduler was to enable flights to move continuously from gate to cruise with minimal interruption in a busy metroplex airspace environment using strategic and tactical scheduling enhanced by collaborative planning between airlines and service providers. The stakeholders agreed that this departure concept could improve schedule

  15. Surface potential variations on a silicon nanowire transistor in biomolecular modification and detection

    International Nuclear Information System (INIS)

    Tsai, Chia-Chang; Chiang, Pei-Ling; Lin, Tsung-Wu; Chen, Yit-Tsong; Sun, Chih-Jung; Tsai, Ming-Hsueh; Chang, Yun-Chorng

    2011-01-01

    Using a silicon nanowire field-effect transistor (SiNW-FET) for biomolecule detections, we selected 3-(mercaptopropyl)trimethoxysilane (MPTMS), N-[6-(biotinamido)hexyl]-3 ' -(2 ' -pyridyldithio) propionamide (biotin-HPDP), and avidin, respectively, as the designated linker, receptor, and target molecules as a study model, where the biotin molecules were modified on the SiNW-FET to act as a receptor for avidin. We applied high-resolution scanning Kelvin probe force microscopy (KPFM) to detect the modified/bound biomolecules by measuring the induced change of the surface potential (ΔΦ s ) on the SiNW-FET under ambient conditions. After biotin-immobilization and avidin-binding, the ΔΦ s on the SiNW-FET characterized by KPFM was demonstrated to correlate to the conductance change inside the SiNW-FET acquired in aqueous solution. The ΔΦ s values on the SiNW-FET caused by the same biotin-immobilization and avidin-binding were also measured from drain current versus gate voltage curves (I d -V g ) in both aqueous condition and dried state. For comparison, we also study the ΔΦ s values on a Si wafer caused by the same biotin-immobilization and avidin-binding through KPFM and ζ potential measurements. This study has demonstrated that the surface potential measurement on a SiNW-FET by KPFM can be applied as a diagnostic tool that complements the electrical detection with a SiNW-FET sensor. Although the KPFM experiments were carried out under ambient conditions, the measured surface properties of a SiNW-FET are qualitatively valid compared with those obtained by other biosensory techniques performed in liquid environment.

  16. Potential and Actual impacts of deforestation and afforestation on land surface temperature

    Science.gov (United States)

    Li, Yan; Zhao, Maosheng; Mildrexler, David J.; Motesharrei, Safa; Mu, Qiaozhen; Kalnay, Eugenia; Zhao, Fang; Li, Shuangcheng; Wang, Kaicun

    2016-12-01

    Forests are undergoing significant changes throughout the globe. These changes can modify water, energy, and carbon balance of the land surface, which can ultimately affect climate. We utilize satellite data to quantify the potential and actual impacts of forest change on land surface temperature (LST) from 2003 to 2013. The potential effect of forest change on temperature is calculated by the LST difference between forest and nearby nonforest land, whereas the actual impact on temperature is quantified by the LST trend difference between deforested (afforested) and nearby unchanged forest (nonforest land) over several years. The good agreement found between potential and actual impacts both at annual and seasonal levels indicates that forest change can have detectable impacts on surface temperature trends. That impact, however, is different for maximum and minimum temperatures. Overall, deforestation caused a significant warming up to 0.28 K/decade on average temperature trends in tropical regions, a cooling up to -0.55 K/decade in boreal regions, a weak impact in the northern temperate regions, and strong warming (up to 0.32 K/decade) in the southern temperate regions. Afforestation induced an opposite impact on temperature trends. The magnitude of the estimated temperature impacts depends on both the threshold and the data set (Moderate Resolution Imaging Spectroradiometer and Landsat) by which forest cover change is defined. Such a latitudinal pattern in temperature impact is mainly caused by the competing effects of albedo and evapotranspiration on temperature. The methodology developed here can be used to evaluate the temperature change induced by forest cover change around the globe.

  17. Gene Expression Profiling Reveals Potential Players of Left-Right Asymmetry in Female Chicken Gonads.

    Science.gov (United States)

    Wan, Zhiyi; Lu, Yanan; Rui, Lei; Yu, Xiaoxue; Yang, Fang; Tu, Chengfang; Li, Zandong

    2017-06-20

    Most female birds develop only a left ovary, whereas males develop bilateral testes. The mechanism underlying this process is still not completely understood. Here, we provide a comprehensive transcriptional analysis of female chicken gonads and identify novel candidate side-biased genes. RNA-Seq analysis was carried out on total RNA harvested from the left and right gonads on embryonic day 6 (E6), E12, and post-hatching day 1 (D1). By comparing the gene expression profiles between the left and right gonads, 347 differentially expressed genes (DEGs) were obtained on E6, 3730 were obtained on E12, and 2787 were obtained on D1. Side-specific genes were primarily derived from the autosome rather than the sex chromosome. Gene ontology and pathway analysis showed that the DEGs were most enriched in the Piwi-interactiing RNA (piRNA) metabolic process, germ plasm, chromatoid body, P granule, neuroactive ligand-receptor interaction, microbial metabolism in diverse environments, and methane metabolism. A total of 111 DEGs, five gene ontology (GO) terms, and three pathways were significantly different between the left and right gonads among all the development stages. We also present the gene number and the percentage within eight development-dependent expression patterns of DEGs in the left and right gonads of female chicken.

  18. Kinetics studies of the F + HCl → HF + Cl reaction on an accurate potential energy surface

    Science.gov (United States)

    Lu, Dandan; Zhang, Ying; Li, Jun

    2018-02-01

    A full-dimensional electronic ground state potential energy surface for the hydrogen abstraction reaction F + HCl → HF + Cl is developed by using the permutation invariant polynomial neural network approach based on 6509 points computed at the level of CCSD(T)-F12a/AVTZ. Spin-orbit correction is also taken into account at the complete active space self-consistent field level. Theoretical thermal rate coefficients determined by the ring polymer molecular dynamics (RPMD) approach agree well with experiment, validating the accuracy of the PES. Kinetic isotope effect is also investigated.

  19. An experimental approach for measuring surface potential and second crossover energy in insulators

    International Nuclear Information System (INIS)

    Fakhfakh, S; Jbara, O; Rondot, S; Rau, E I; Fakhfakh, Z

    2008-01-01

    The goal of this work is to first measure the second crossover energy E 2S under stationary electron irradiation (charging conditions) and then to show that the charge balance occurs at this beam energy and not at E 2C , the energy deduced from non-charging conditions (short pulse irradiation) as commonly assumed. The experimental procedure is based on simultaneous time dependent measurements of surface potential, leakage and displacement currents. The study is illustrated by the estimate of the real landing energy of primary electrons E L and the second crossover energy E 2S for soda-lime glass

  20. An experimental approach for measuring surface potential and second crossover energy in insulators

    Energy Technology Data Exchange (ETDEWEB)

    Fakhfakh, S; Jbara, O; Rondot, S [UTAP/LASSI, EA 3802 Faculte des Sciences, BP 1039, 51687 Reims Cedex 2 (France); Rau, E I [Institute of Microelectronics Technology of Russian Academy of Science, 142432, Chernogolovka, Moscow District (Russian Federation); Fakhfakh, Z [LaMaCop, Faculte des Sciences, Route Soukra Km 3, BP 802, CP 3018 Sfax (Tunisia)], E-mail: slimfakhfakh@yahoo.fr

    2008-05-21

    The goal of this work is to first measure the second crossover energy E{sub 2S} under stationary electron irradiation (charging conditions) and then to show that the charge balance occurs at this beam energy and not at E{sub 2C}, the energy deduced from non-charging conditions (short pulse irradiation) as commonly assumed. The experimental procedure is based on simultaneous time dependent measurements of surface potential, leakage and displacement currents. The study is illustrated by the estimate of the real landing energy of primary electrons E{sub L} and the second crossover energy E{sub 2S} for soda-lime glass.

  1. A New Potential Energy Surface for N+O2: Is There an NOO Minimum?

    Science.gov (United States)

    Walch, Stephen P.

    1995-01-01

    We report a new calculation of the N+02 potential energy surface using complete active space self-consistent field internally contracted configuration interaction with the Dunning correlation consistent basis sets. The peroxy isomer of N02 is found to be a very shallow minimum separated from NO+O by a barrier of only 0.3 kcal/mol (excluding zero-point effects). The entrance channel barrier height is estimated to be 8.6 kcal/mol for ICCI+Q calculations correlating all but the Ols and N1s electrons with a cc-p VQZ basis set.

  2. Computed Potential Energy Surfaces and Minimum Energy Pathway for Chemical Reactions

    Science.gov (United States)

    Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

    1994-01-01

    Computed potential energy surfaces are often required for computation of such observables as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method with the Dunning correlation consistent basis sets to obtain accurate energetics, gives useful results for a number of chemically important systems. Applications to complex reactions leading to NO and soot formation in hydrocarbon combustion are discussed.

  3. Critical points of the conformational potential energy surface of carbonic acid: H 2CO 3

    Science.gov (United States)

    Janoschek, Rudolf; Csizmadia, Imre G.

    1993-12-01

    The conformational potential energy surface E  E( T1, T2) of H 2CO 3, where T1 is the torsional angle for HO 1CO 2 and T2 is the torsional angle for O 1CO 2H, revealed that the anti—anti conformation is the global minimum. Additional local minima were also found. The next higher energy conformation was the syn—anti conformation, and a degenerate pair of right handed and left handed helical conformations were the highest on the energy scale. The syn—syn conformation turned out to be a transition structure sandwiched between the two helical conformation.

  4. An algorithm to use higher order invariants for modelling potential energy surface of nanoclusters

    Science.gov (United States)

    Jindal, Shweta; Bulusu, Satya S.

    2018-02-01

    In order to fit potential energy surface (PES) of gold nanoclusters, we have integrated bispectrum features with artificial neural network (ANN) learning technique in this work. We have also devised an algorithm for selecting the frequencies that need to be coupled for extracting the phase information between different frequency bands. We have found that higher order invariant like bispectrum is highly efficient in exploring the PES as compared to other invariants. The sensitivity of bispectrum can also be exploited in acting as an order parameter for calculating many thermodynamic properties of nanoclusters.

  5. Potential Energy Surfaces of the Even-Even 230-238 U Isotopes

    Directory of Open Access Journals (Sweden)

    Sohair M. Diab

    2008-07-01

    Full Text Available Nuclear structure of 230-238 U isotopes hav been studied in the frame work of the interacting boson approximation model (IBM-1. The contour plot of the potential energy surfaces, $V(eta,gamma$, shows that all nuclei are deformed and have rotational characters, $SU(3$. Levels energy spectra belonging to the $gsb$, $eta $, $gamma $ bands, electromagnetic transition rates $B(E1$ and $ B(E2$, quadrupole moment $Q_0 $, deformation parameter are $eta_2$ and the strength of the electric monopole transitions $X(E0/E2$ are calculated. The calculated values are compared with the available theoretical and experimental data and show reasonable agreement.

  6. Potential Energy Surfaces of the Even-Even 230-238 U Isotopes

    Directory of Open Access Journals (Sweden)

    Diab S. M.

    2008-07-01

    Full Text Available Nuclear structure of 230 - 238 U isotopes have been studied in the frame work of the in- teracting boson approximation model (IBM-I. The contour plot of the potential energy surfaces, V ( ; , shows that all nuclei are deformed and have rotational char- acters, SU (3 . Levels energy spectra belonging to the gsb , , bands, electromagnetic transition rates B ( E 1 and B ( E 2 , quadrupole moment Q 0 , deformation parameterare 2 and the strength of the electric monopole transitions X ( E 0 =E 2 are calculated. The calculated values are compared with the available theoretical and experimental data and show reasonable agreement.

  7. Modeling Potential Energy Surfaces: From First-Principle Approaches to Empirical Force Fields

    Directory of Open Access Journals (Sweden)

    Pietro Ballone

    2013-12-01

    Full Text Available Explicit or implicit expressions of potential energy surfaces (PES represent the basis of our ability to simulate condensed matter systems, possibly understanding and sometimes predicting their properties by purely computational methods. The paper provides an outline of the major approaches currently used to approximate and represent PESs and contains a brief discussion of what still needs to be achieved. The paper also analyses the relative role of empirical and ab initio methods, which represents a crucial issue affecting the future of modeling in chemical physics and materials science.

  8. Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

    Science.gov (United States)

    DeGregorio, Nicole; Iyengar, Srinivasan S

    2018-01-09

    We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen

  9. Depositional patterns of the Mississippi Fan surface: Evidence from GLORIA II and high-resolution seismic profiles

    Science.gov (United States)

    Twichell, David C.; Kenyon, Neil H.; Parson, Lindsay M.; McGregor, Bonnie A.

    1991-01-01

    GLORIA long-range side-scan sonar imagery and 3.5-kHz seismic-reflection profiles depict a series of nine elongate deposits with generally high-backscatter surfaces covering most of the latest fanlobe sequence of the Mississippi Fan in the eastern Gulf of Mexico. The youngest deposit is a “slump” that covers a 250 by 100 km area of the middle and upper fan. The remaining mapped deposits, termed depositional lobes, are long (as much as 200 km) and relatively thin (less than 35 m thick) bodies. Small channels and lineations on the surface of many of these depositional lobes radiate from a single, larger main channel that is the conduit through which sediment has been supplied to these surficial deposits on the fan. The 3.5-kHz profiles show that adjacent depositional lobes overlap one another rather than interfingering, indicating that only one lobe was an active site of deposition at a time. Shifting of the depositional sites appears to be caused by both aggradation and avulsion. The chronology developed from the overlapping relations indicates the oldest of the mapped depositional lobes are on the lowermost fan, and the youngest are further up the fan. Depositional lobes on the lower fan consist of a series of smaller, elongate features with high-backscatter surfaces (540 km in length) located at the ends of previously unrecognized small channels (< 5 m deep). These small channels extend as much as 120 km from the main channel. Small channelized turbidity currents and/or debris flows, sand flows, or mud flows appear to be the dominant transport process constructing these depositional lobes. Channelized flow is an important mechanism for transporting sediment away from the main channel on this fan and the resulting facies created by these small flows are laterally discontinuous.

  10. Investigation of the surface potential of TiO2 (110) by frequency-modulation Kelvin probe force microscopy.

    Science.gov (United States)

    Kou, Lili; Li, Yan Jun; Kamijyo, Takeshi; Naitoh, Yoshitaka; Sugawara, Yasuhiro

    2016-12-16

    We investigate the surface potential distribution on a TiO 2 (110)-1 × 1 surface by Kelvin probe force microscopy (KPFM) and atom-dependent bias-distance spectroscopic mapping. The experimental results demonstrate that the local contact potential difference increases on twofold-coordinated oxygen sites, and decreases on OH defects and fivefold-coordinated Ti sites. We propose a qualitative model to explain the origin of the surface potential of TiO 2 (110). We qualitatively calculate the surface potential induced by chemical potential and permanent surface dipole. The calculated results agree with our experimental ones. Therefore, we suggest that the surface potential of TiO 2 (110) is dominated not only by the permanent surface dipole between the tip apex atom and surface, but also by the dipoles induced by the chemical interaction between the tip and sample. The KPFM technique demonstrate the possibility of investigation of the charge transfer phenomenon on TiO 2 surface under gas conditions. It is useful for the elucidation of the mechanism of the catalytic reactions.

  11. Analysis of the silicone polymer surface aging profile with laser-induced breakdown spectroscopy

    Science.gov (United States)

    Wang, Xilin; Hong, Xiao; Wang, Han; Chen, Can; Zhao, Chenlong; Jia, Zhidong; Wang, Liming; Zou, Lin

    2017-10-01

    Silicone rubber composite materials have been widely used in high voltage transmission lines for anti-pollution flashover. The aging surface of silicone rubber materials decreases service properties, causing loss of the anti-pollution ability. In this paper, as an analysis method requiring no sample preparation that is able to be conducted on site and suitable for nearly all types of materials, laser-induced breakdown spectroscopy (LIBS) was used for the analysis of newly prepared and aging (out of service) silicone rubber composites. With scanning electron microscopy (SEM) and hydrophobicity test, LIBS was proven to be nearly non-destructive for silicone rubber. Under the same LIBS testing parameters, a linear relationship was observed between ablation depth and laser pulses number. With the emission spectra, all types of elements and their distribution in samples along the depth direction from the surface to the inner part were acquired and verified with EDS results. This research showed that LIBS was suitable to detect the aging layer depth and element distribution of the silicone rubber surface.

  12. [Search for potential gastric cancer biomarkers using low molecular weight blood plasma proteome profiling by mass spectrometry].

    Science.gov (United States)

    Shevchenko, V E; Arnotskaia, N E; Ogorodnikova, E V; Davydov, M M; Ibraev, M A; Turkin, I N; Davydov, M I

    2014-01-01

    Gastric cancer, one of the most widespread malignant tumors, still lacks reliable serum/plasma biomarkers of its early detection. In this study we have developed, unified, and tested a new methodology for search of gastric cancer biomarkers based on profiling of low molecular weight proteome (LMWP) (1-17 kDa). This approach included three main components: sample pre-fractionation, matrix-assisted laser desorption ionization time of flight mass spectrometry (MALDI-TOF-MS), data analysis by a bioinformatics software package. Applicability and perspectives of the developed approach for detection of potential gastric cancer markers during LMWP analysis have been demonstrated using 69 plasma samples from patients with gastric cancer (stages I-IV) and 238 control samples. The study revealed peptides/polypeptides, which may be potentially used for detection of this pathology.

  13. A comparative study of sheath potential profile measurements with laser-heated and current-heated emissive probes

    Science.gov (United States)

    Kella, Vara Prasad; Mehta, Payal; Sarma, A.; Ghosh, J.; Chattopadhyay, P. K.

    2016-04-01

    Emissive Langmuir probe is one of the most efficient diagnostic tools available for plasma potential measurements. Extensive studies have been carried out in designing different kinds of conventional (electrically heated) emissive probes (CEPs) to estimate the plasma potential. Laser heated emissive probe (LHEP) has been developed with certain advantages over the conventional probes such as low evaporation rate of the probe material, high lifetime, and high emission levels. Most importantly, the LHEP uses laser to heat the probe-tip and does not require electric current to heat the probe-tip like in CEP. The heating current in CEP substantially affects the plasma potential measurements, especially in the regions of plasma where high electric and magnetic field gradients are present. In this paper, we studied the plasma potential structures in sheath-presheath region using both LHEP and CEP in an unmagnetized dc-filament discharge plasma. Measurements of sheath spatial potential profile using laser heated emissive probe are compared with those obtained using conventional emissive probe.

  14. Water Quality and Sediment Profile in Shrimp Culture with Different Sediment Redox Potential and Stocking Densities Under Laboratory Condition

    Directory of Open Access Journals (Sweden)

    Wiyoto Wiyoto

    2016-06-01

    Full Text Available Sediment quality has been considered as one of the prime factors influencing the environment quality that support maximum shrimp production.The aim of the study was toevaluate the effects of sediment redox potential and shrimp stocking density on the profile of some sediment and water quality parameters. Two factors randomized factorial design was applied, with stocking density (60 and 120 shrimps.m-2 as the first variable and sediment redox potential (-65 mV, -108 mV and -206 mV as the second variable. Some significant changes in TP, total Mn, and total S concentrations in the sediment were observed after the experimentation (P<0.05. Sediment redox potential significantly affected the dissolved oxygen, TAN, NO2, NO3, and H2S concentrations in the water. Whereas shrimp stocking density affected all water quality parameters except H2S concentration. Significant interactions between redox potential and stocking densities were observed in the nitrite and alkalinity concentrations. The significant effects of both shrimp density and redox potential on the sediment and water parameters in particular those that are known to directly affect the shrimp welfare (e.g. oxygen, ammonia, nitrite and H2S indicate that these variables are of important aspects in shrimp pond management. Furthermore, the results clearly showed that -206mV redox potential significantly reduced the dissolved oxygen concentration in the sediment-water interface and increased the generation of H2S in water column. Thereby, this redox potential level is not advisable for shrimp culture system. Keywords: redox potential, stocking density.

  15. Evaluation of Surface Water Harvesting Potential in Aq Emam Watershed System in the Golestan Province

    Directory of Open Access Journals (Sweden)

    s. nazaryan

    2016-02-01

    Full Text Available Introduction : Given its low and sparse precipitation both in spatial and temporal scales, Iran is nestled in an arid and semiarid part of the world. On the other hand, because of population growth, urbanization and the development of agriculture and industry sector is frequently encountered with increasing water demand. The increasing trend of water demand will widen the gap between water supply and demand in the future. This, in turn, necessitates urgent attention to the fundamentals of economic planning and allocation of water resources. Considering the limited resources and the declining water table and salinization of groundwater, especially in semi-arid areas forces us to exploit surface waters. When we evaluate the various methods of collecting rainwater, surface water that is the outcome of rainfall-runoff responses in a basin, is found to be a potential source of water and it can be useful to meet some of our water demand if managed properly. Water shortages in arid areas are critical, serious and persistent. Thus, water harvesting is an effective and economic goal. The most important step in the implementation of rain water harvesting systems is proper site selection that could cause significant savings in time and cost. In this study the potential of surface waters in the Aq Emam catchment in the east Golestan province was evaluated. The purpose of this study is to provide a framework for locating areas with water harvesting potential. Materials and Methods: For spatial evaluation of potential runoff, first, the amount of runoff is calculated using curve number and runoff potential maps were prepared with three classes: namely, the potential for low, medium and high levels. Finally, to identify suitable areas for rain water harvesting, rainfall maps, soil texture, slope and land use were weighted and multiplied based on their importance in order to determine the appropriate areas to collect runoff Results and Discussion : The results

  16. Review of singular potential integrals for method of moments solutions of surface integral equations

    Directory of Open Access Journals (Sweden)

    A. Tzoulis

    2004-01-01

    Full Text Available Accurate evaluation of singular potential integrals is essential for successful method of moments (MoM solutions of surface integral equations. In mixed potential formulations for metallic and dielectric scatterers, kernels with 1/R and r1/R singularities must be considered. Several techniques for the treatment of these singularities will be reviewed. The most common approach solves the MoM source integrals analytically for specific observation points, thus regularizing the integral. However, in the case of r1/R a logarithmic singularity remains for which numerical evaluation of the testing integral is still difficult. A recently by Yl¨a-Oijala and Taskinen proposed remedy to this issue is discussed and evaluated within a hybrid finite element – boundary integral technique. Convergence results for the MoM coupling integrals are presented where also higher-order singularity extraction is considered.

  17. Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems

    Directory of Open Access Journals (Sweden)

    J. Espinosa-Garcia

    2012-01-01

    Full Text Available Different methods of constructing potential energy surfaces in polyatomic systems are reviewed, with the emphasis put on fitting, interpolation, and analytical (defined by functional forms approaches, based on quantum chemistry electronic structure calculations. The different approaches are reviewed first, followed by a comparison using the benchmark H + CH4 and the H + NH3 gas-phase hydrogen abstraction reactions. Different kinetics and dynamics properties are analyzed for these reactions and compared with the available experimental data, which permits one to estimate the advantages and disadvantages of each method. Finally, we analyze different problems with increasing difficulty in the potential energy construction: spin-orbit coupling, molecular size, and more complicated reactions with several maxima and minima, which test the soundness and general applicability of each method. We conclude that, although the field of small systems, typically atom-diatom, is mature, there still remains much work to be done in the field of polyatomic systems.

  18. Determination of the potential energy surfaces of refrigerant mixtures and their gas transport coefficients

    Directory of Open Access Journals (Sweden)

    Song Bo

    2017-01-01

    Full Text Available In this work, the inversion scheme was used to determine the potential energy surfaces of five polar refrigerant mixtures. The systems studied here are R123-R134a, R123-R142b, R123-R152a, R142b-R134a, and R142b-R152a. The low density transport coefficients of the refrigerant mixtures were calculated from the new invert potentials by the classical kinetic theory. The viscosity coefficient, binary diffusion coefficient, and thermal diffusion factor were computed for the temperature range from 313.15-973.15 K. The agreement with the NIST viscosity data demonstrates that the present calculated values are accurate enough to supplement experimental data over an extended temperature range. Correlations of the transport properties were also provided for the refrigerant mixtures at equimolar ratios.

  19. Non-targeted metabolite profiling highlights the potential of strawberry leaves as a resource for specific bioactive compounds.

    Science.gov (United States)

    Kårlund, Anna; Hanhineva, Kati; Lehtonen, Marko; McDougall, Gordon J; Stewart, Derek; Karjalainen, Reijo O

    2017-05-01

    The non-edible parts of horticultural crops, such as leaves, contain substantial amounts of valuable bioactive compounds which are currently only little exploited. For example, strawberry (Fragaria × ananassa) leaves may be a promising bioresource for diverse health-related applications. However, product standardization sets a real challenge, especially when the leaf material comes from varying cultivars. The first step towards better quality control of berry fruit leaf-based ingredients and supplements is to understand metabolites present and their stability in different plant cultivars, so this study surveyed the distribution of potentially bioactive strawberry leaf metabolites in six different strawberry cultivars. Non-targeted metabolite profiling analysis using LC/qTOF-ESI-MS with data processing via principal component analysis and k-means clustering analysis was utilized to examine differences and commonalities between the leaf metabolite profiles. Quercetin and kaempferol derivatives were the dominant flavonol groups in strawberry leaves. Previously described and novel caffeic and chlorogenic acid derivatives were among the major phenolic acids. In addition, ellagitannins were one of the distinguishing compound classes in strawberry leaves. In general, strawberry leaves also contained high levels of octadecatrienoic acid derivatives, precursors of valuable odour compounds. The specific bioactive compounds found in the leaves of different strawberry cultivars offer the potential for the selection of optimized leaf materials for added-value food and non-food applications. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  20. Endosulfan Resistance Profile of Soil Bacteria and Potential Application of Resistant Strains in Bioremediation

    OpenAIRE

    Chandini P.K.; Jaysooryan K.K; Varghese Rinoy; Sreedharan K.; Smitha K. P.

    2014-01-01

    In the present study, bacterial strains were isolated from the soils of Wayanad District, Kerala, India and the isolates were tested for their tolerance to endosulfan and potential in bioremediation technology. Pesticide contamination in the soils, soil physico-chemical characteristics and socio-economic impacts of pesticide application were also analyzed. 28 pesticide compounds in the soil samples were analyzed and the results revealed that there was no pesticide residues in the soils. As pe...

  1. Diabatic Molecular Orbitals, Potential Energies, and Potential Energy Surface Couplings by the 4-fold Way for Photodissociation of Phenol.

    Science.gov (United States)

    Xu, Xuefei; Yang, Ke R; Truhlar, Donald G

    2013-08-13

    Complete-active-space self-consistent-field (CASSCF) calculations provide useful reference wave functions for configuration interaction or perturbation theory calculations of excited-state potential energy surfaces including dynamical electron correlation. However, the canonical molecular orbitals (MOs) of CASSCF calculations usually have mixed character in regions of strong interaction of two or more electronic states; therefore, they are unsuitable for diabatization using the configurational uniformity approach. Here, CASSCF diabatic MOs for phenol have been obtained by the 4-fold way, and comparison to the CASSCF canonical MOs shows that they are much smoother. Using these smooth CASSCF diabatic MOs, we performed direct diabatization calculations for the three low-lying states ((1)ππ, (1)ππ*, and (1)πσ*) and their diabatic (scalar) couplings at the dynamically correlated multiconfiguration quasidegenerate perturbation theory (MC-QDPT) level. We present calculations along the O-H stretching and C-C-O-H torsion coordinates for the nonadiabatic photodissociation of phenol to the phenoxyl radical and hydrogen atom. The seams of (1)ππ*/(1)πσ* and (1)ππ/(1)πσ* diabatic crossings are plotted as functions of these coordinates. We also present diabatization calculations for displacements along the out-of-plane ring distortion modes 16a and 16b of the phenyl group. The dominant coupling modes of the two conical intersections ((1)ππ*/(1)πσ* and (1)ππ/(1)πσ*) are discussed. The present diabatization method is confirmed to be valid even for significantly distorted ring structures by diabatization calculations along a reaction path connecting the planar equilibrium geometry of phenol to its strongly distorted prefulvenic form. The present work provides insight into the mode specificity of phenol photodissociation and shows that diabatization at the MC-QDPT level employing CASSCF diabatic MOs can be a good starting point for multidimensional dynamics

  2. Individual differences in personality profiles among potential living kidney transplant donors

    Science.gov (United States)

    Rodríguez-Marín, Jesús; Martínez-Zaragoza, Fermín; de Santiago-Guervós, Carlos

    2013-01-01

    Background: Although the psychological assessment of potential living kidney donors (PLKD) is part of the recommendations for action for any transplant coordination, there are not many studies that provide data about the importance of selecting donors for improving transplant outcomes. This work aims to raise awareness of potential kidney donors by designing methods for early detection of potential problems after the transplant, as well as by selecting the most suitable donors. Methods: This is a study of 25 PLKD drawn from the General University Hospital of Alicante. Participants completed the Millon Clinical Multiaxial Inventory (MCMI-III) for the study of personality characteristics. Results: Women scored higher than men in the compulsive personality scale, and individuals with a genetic link with the recipient scored higher on depressive and dependent scales than did those with other relationships (emotional or altruistic). Conclusions: Women showed a pattern of significantly more compulsive personality traits (cautious, controlled, perfectionist) within a non-pathological style. Among the PLKD, there were significantly more women, which is contrary to what typically happens with donations from cadavers. Genetically related subjects scored higher on depression than did those that were emotionally related. The personality assessment of candidates for PLKD can help with developing a post-transplant follow-up regimen for an improved quality of life. PMID:24892237

  3. Oil content, phenolic profiling and antioxidant potential of Tunisian olive drupes.

    Science.gov (United States)

    Bouaziz, Mohamed; Jemai, Hedya; Khabou, Wahid; Sayadi, Sami

    2010-08-15

    The aim of this work was to investigate the effect of the maturation process of the olive fruit on oil content, phenolic profile and antioxidant activity of four Tunisian cultivars (Zelmati, Chemchali, Chemlali and Chétoui). The average oil content of the studied varieties ranged between 17.50% and 20.25% at the first stage of maturation and from 30.20% to 35% in the last harvest. Qualitative and quantitative analysis of phenolic compounds were carried out using HPLC and LC-MS/MS. Twenty-six biophenolic compounds were identified. In all samples, hydroxytyrosol and oleuropein were the major compounds identified while rutin and luteolin 7-O-glucoside were the two main flavonoids. The total phenolic content varied from 3.46 to 4.30 g kg(-1) at the first stage of maturation and from 8.71 to 11.52 g kg(-1) of fruit fresh weight at the last maturation phase. Total flavonoid content reached 432.80 mg kg(-1). The antioxidant activity of the extract was evaluated by DPPH and ABTS assays. The IC(50) values of the olive extracts ranged from 2.69 to 10.96 microg L(-1) and from 2.15 to 3.03 mmol L(-1) trolox equivalent at the last stage of maturation. A relationship between the changes in phenolic content and the physicochemical changes in Tunisian olive fruit during maturation was established. These findings could be used for controlling the production processes and correlating the oil sensorial characteristics to the polyphenolic pattern. Copyright (c) 2010 Society of Chemical Industry.

  4. Lipids of Rhodotorula mucilaginosa IIPL32 with biodiesel potential: Oil yield, fatty acid profile, fuel properties.

    Science.gov (United States)

    Khot, Mahesh; Ghosh, Debashish

    2017-04-01

    This study analyzes the single cell oil (SCO), fatty acid profile, and biodiesel fuel properties of the yeast Rhodotorula mucilaginosa IIPL32 grown on the pentose fraction of acid pre-treated sugarcane bagasse as a carbon source. The yeast biomass from nitrogen limiting culture conditions (15.3 g L -1 ) was able to give the SCO yield of 0.17 g g -1 of xylose consumed. Acid digestion, cryo-pulverization, direct in situ transesterification, and microwave assisted techniques were evaluated in comparison to the Soxhlet extraction for the total intracellular yeast lipid recovery. The significant differences were observed among the SCO yield of different methods and the in situ transesterification stood out most for effective yeast lipid recovery generating 97.23 mg lipid as FAME per gram dry biomass. The method was fast and consumed lesser solvent with greater FAME yield while accessing most cellular fatty acids present. The yeast lipids showed the major presence of monounsaturated fatty esters (35-55%; 18:1, 16:1) suitable for better ignition quality, oxidative stability, and cold-flow properties of the biodiesel. Analyzed fuel properties (density, kinematic viscosity, cetane number) of the yeast oil were in good agreement with international biodiesel standards. The sugarcane bagasse-derived xylose and the consolidated comparative assessment of lab scale SCO recovery methods highlight the necessity for careful substrate choice and validation of analytical method in yeast oil research. The use of less toxic co-solvents together with solvent recovery and recycling would help improve process economics for sustainable production of biodiesel from the hemicellulosic fraction of cheap renewable sources. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Protein profiling in serum after traumatic brain injury in rats reveals potential injury markers.

    Science.gov (United States)

    Thelin, Eric Peter; Just, David; Frostell, Arvid; Häggmark-Månberg, Anna; Risling, Mårten; Svensson, Mikael; Nilsson, Peter; Bellander, Bo-Michael

    2018-03-15

    The serum proteome following traumatic brain injury (TBI) could provide information for outcome prediction and injury monitoring. The aim with this affinity proteomic study was to identify serum proteins over time and between normoxic and hypoxic conditions in focal TBI. Sprague Dawley rats (n=73) received a 3mm deep controlled cortical impact ("severe injury"). Following injury, the rats inhaled either a normoxic (22% O 2 ) or hypoxic (11% O 2 ) air mixture for 30min before resuscitation. The rats were sacrificed at day 1, 3, 7, 14 and 28 after trauma. A total of 204 antibodies targeting 143 unique proteins of interest in TBI research, were selected. The sample proteome was analyzed in a suspension bead array set-up. Comparative statistics and factor analysis were used to detect differences as well as variance in the data. We found that complement factor 9 (C9), complement factor B (CFB) and aldolase c (ALDOC) were detected at higher levels the first days after trauma. In contrast, hypoxia inducing factor (HIF)1α, amyloid precursor protein (APP) and WBSCR17 increased over the subsequent weeks. S100A9 levels were higher in hypoxic-compared to normoxic rats, together with a majority of the analyzed proteins, albeit few reached statistical significance. The principal component analysis revealed a variance in the data, highlighting clusters of proteins. Protein profiling of serum following TBI using an antibody based microarray revealed temporal changes of several proteins over an extended period of up to four weeks. Further studies are warranted to confirm our findings. Copyright © 2016 The Author(s). Published by Elsevier B.V. All rights reserved.

  6. Determination of hydrogen and sodium profiles at the glass surfaces by nuclear methods

    International Nuclear Information System (INIS)

    Engelmann, C.; Nens, B.; Trocellier, P.

    1981-01-01

    A description of the methods used is given. They are based on direct observation of nuclear reactions produced by nitrogen-15 ions of 6.38 to 10 MeV energy and protons of 1 to 1.1 MeV energy. The performances of these techniques which are particularly interesting to explore the first few microns of the glass surface, non destructively, are presented. It is shown that the migration of hydrogen and sodium, during the determination is negligible when appropriate experimental conditions are used. Examples of application to glasses submitted to lixiviation are given [fr

  7. Direct Measurement of Surface Dissolution Rates in Potential Nuclear Waste Forms: The Example of Pyrochlore.

    Science.gov (United States)

    Fischer, Cornelius; Finkeldei, Sarah; Brandt, Felix; Bosbach, Dirk; Luttge, Andreas

    2015-08-19

    The long-term stability of ceramic materials that are considered as potential nuclear waste forms is governed by heterogeneous surface reactivity. Thus, instead of a mean rate, the identification of one or more dominant contributors to the overall dissolution rate is the key to predict the stability of waste forms quantitatively. Direct surface measurements by vertical scanning interferometry (VSI) and their analysis via material flux maps and resulting dissolution rate spectra provide data about dominant rate contributors and their variability over time. Using pyrochlore (Nd2Zr2O7) pellet dissolution under acidic conditions as an example, we demonstrate the identification and quantification of dissolution rate contributors, based on VSI data and rate spectrum analysis. Heterogeneous surface alteration of pyrochlore varies by a factor of about 5 and additional material loss by chemo-mechanical grain pull-out within the uppermost grain layer. We identified four different rate contributors that are responsible for the observed dissolution rate range of single grains. Our new concept offers the opportunity to increase our mechanistic understanding and to predict quantitatively the alteration of ceramic waste forms.

  8. Exercise body surface potential mapping in single and multiple coronary artery disease

    International Nuclear Information System (INIS)

    Montague, T.J.; Witkowski, F.X.; Miller, R.M.; Johnstone, D.E.; MacKenzie, R.B.; Spencer, C.A.; Horacek, B.M.

    1990-01-01

    Body surface ST integral maps were recorded in 36 coronary artery disease (CAD) patients at: rest; peak, angina-limited exercise; and, 1 and 5 min of recovery. They were compared to maps of 15 CAD patients who exercised to fatigue, without angina, and eight normal subjects. Peak exercise heart rates were similar (NS) in all groups. With exercise angina, patients with two and three vessel CAD had significantly (p less than 0.05) greater decrease in the body surface sum of ST integral values than patients with single vessel CAD. CAD patients with exercise fatigue, in the absence of angina, had decreased ST integrals similar (NS) to patients with single vessel CAD who manifested angina and the normal control subjects. There was, however, considerable overlap among individuals; some patients with single vessel CAD had as much exercise ST integral decrease as patients with three vessel CAD. All CAD patients had persistent ST integral decreases at 5 min of recovery and there was a direct correlation of the recovery and peak exercise ST changes. Exercise ST changes correlated, as well, with quantitative CAD angiographic scores, but not with thallium perfusion scores. These data suggest exercise ST integral body surface mapping allows quantitation of myocardium at ischemic risk in patients with CAD, irrespective of the presence or absence of ischemic symptoms during exercise. A major potential application of this technique is selection of CAD therapy guided by quantitative assessment of ischemic myocardial risk

  9. Profiles in fibromyalgia: algometry, auditory evoked potentials and clinical characterization of different subtypes.

    Science.gov (United States)

    Triñanes, Yolanda; González-Villar, Alberto; Gómez-Perretta, Claudio; Carrillo-de-la-Peña, María T

    2014-11-01

    The heterogeneity found in fibromyalgia (FM) patients has led to the investigation of disease subgroups, mainly based on clinical features. The aim of this study was to test the hypothesis that clinical FM subgroups are associated with different underlying pathophysiological mechanisms. Sixty-three FM patients were classified in type I or type II, according to the Fibromyalgia Impact Questionnaire (FIQ), and in mild/moderate versus severe FM, according to the severity of three cardinal symptoms considered in the American College of Rheumatology (ACR) 2010 criteria (unrefreshed sleep, cognitive problems and fatigue). To validate the subgroups obtained by these two classifications, we calculated the area under the receiver operating characteristic curves for various clinical variables and for two potential biomarkers of FM: Response to experimental pressure pain (algometry) and the amplitude/intensity slopes of the auditory evoked potentials (AEPs) obtained to stimuli of increasing intensity. The variables that best discriminated type I versus type II were those related to depression, while the indices of clinical or experimental pain (threshold or tolerance) did not significantly differ between them. The variables that best discriminated the mild/moderate versus severe subgroups were those related to the algometry. The AEPs did not allow discrimination among the generated subsets. The FIQ-based classification allows the identification of subgroups that differ in psychological distress, while the index based on the ACR 2010 criteria seems to be useful to characterize the severity of FM mainly based on hyperalgesia. The incorporation of potential biomarkers to generate or validate classification criteria is crucial to advance in the knowledge of FM and in the understanding of pathophysiological pathways.

  10. Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like!

    Science.gov (United States)

    Varadwaj, Arpita; Varadwaj, Pradeep R; Yamashita, Koichi

    2018-03-15

    Coulomb's law states that like charges repel, and unlike charges attract. However, it has recently been theoretically revealed that two similarly charged conducting spheres will almost always attract each other when both are in close proximity. Using multiscale first principles calculations, we illustrate practical examples of several intermolecular complexes that are formed by the consequences of attraction between positive atomic sites of similar or dissimilar electrostatic surface potential on interacting molecules. The results of the quantum theory of atoms in molecules and symmetry adapted perturbation theory support the attraction between the positive sites, characterizing the F•••X (X = F, Cl, Br) intermolecular interactions in a series of 20 binary complexes as closed-shell type, although the molecular electrostatic surface potential approach does not (a failure!). Dispersion that has an r -6 dependence, where r is the equilibrium distance of separation, is found to be the sole driving force pushing the two positive sites to attract. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  11. Ab Initio Potential Energy Surfaces and the Calculation of Accurate Vibrational Frequencies

    Science.gov (United States)

    Lee, Timothy J.; Dateo, Christopher E.; Martin, Jan M. L.; Taylor, Peter R.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within plus or minus 8 cm(exp -1) on average, and molecular bond distances are accurate to within plus or minus 0.001-0.003 Angstroms, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as vibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy will be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.

  12. On the potential application of land surface models for drought monitoring in China

    Science.gov (United States)

    Zhang, Liang; Zhang, Huqiang; Zhang, Qiang; Li, Yaohui; Zhao, Jianhua

    2017-05-01

    The potential of using land surface models (LSMs) to monitor near-real-time drought has not been fully assessed in China yet. In this study, we analyze the performance of such a system with a land surface model (LSM) named the Australian Community Atmosphere Biosphere Land Exchange model (CABLE). The meteorological forcing datasets based on reanalysis products and corrected by observational data have been extended to near-real time for semi-operational trial. CABLE-simulated soil moisture (SM) anomalies are used to characterize drought spatial and temporal evolutions. One outstanding feature in our analysis is that with the same meteorological data, we have calculated a range of drought indices including Standardized Precipitation Index (SPI), Standardized Precipitation-Evapotranspiration Index (SPEI), Palmer Drought Severity Index (PDSI). We have assessed the similarity among these indices against observed SM over a number of regions in China. While precipitation is the dominant factor in the drought development, relationships between precipitation, evaporation, and soil moisture anomalies vary significantly under different climate regimes, resulting in different characteristics of droughts in China. The LSM-based trial system is further evaluated for the 1997/1998 drought in northern China and 2009/2010 drought in southwestern China. The system can capture the severities and temporal and spatial evolutions of these drought events well. The advantage of using a LSM-based drought monitoring system is further demonstrated by its potential to monitor other consequences of drought impacts in a more physically consistent manner.

  13. Phonon-mediated decay of an atom in a surface-induced potential

    International Nuclear Information System (INIS)

    Kien, Fam Le; Hakuta, K.; Dutta Gupta, S.

    2007-01-01

    We study phonon-mediated transitions between translational levels of an atom in a surface-induced potential. We present a general master equation governing the dynamics of the translational states of the atom. In the framework of the Debye model, we derive compact expressions for the rates for both upward and downward transitions. Numerical calculations for the transition rates are performed for a deep silica-induced potential allowing for a large number of bound levels as well as free states of a cesium atom. The total absorption rate is shown to be determined mainly by the bound-to-bound transitions for deep bound levels and by bound-to-free transitions for shallow bound levels. Moreover, the phonon emission and absorption processes can be orders of magnitude larger for deep bound levels as compared to the shallow bound ones. We also study various types of transitions from free states. We show that, for thermal atomic cesium with a temperature in the range from 100 μK to 400 μK in the vicinity of a silica surface with a temperature of 300 K, the adsorption (free-to-bound decay) rate is about two times larger than the heating (free-to-free upward decay) rate, while the cooling (free-to-free downward decay) rate is negligible

  14. Modelling and optimization of texture profile of fermented soybean using response surface methodology

    Directory of Open Access Journals (Sweden)

    Birabrata Nayak

    2016-10-01

    Full Text Available In the present research, a meaty textured soybean was prepared by solid-state fermentation using Rhizopus oligosporus and dried Agaricus mushroom. The textural profile of the fermented soybean was optimized, modelled and validated by comparing the product with poultry meat. Under the optimum condition; thickness of solid substrate, inoculums volume and quantity of Agaricus mushroom powder were measured to be 1.12 cm, 5.92% (v/w and 4.84 % (w/w, respectively. The final product is found to possess hardness 538.11 g, cohesiveness 0.41, springiness 0.39, gumminess 314.85 g, chewiness 79.43 g and resilience 0.45. There is an increase in absorbable isoflavone (daidzein and antioxidant activity with lower carbohydrate and saturated fat content due to fermentation of soybean with R. oligosporus. The developed product possesses good nutritional (17.4% protein and 15.12% total fiber and functional (3.9 g/100 g diadzein; antioxidant activity 3.9 mMTR quality with low calorific value of 212.10 kCal/100 g, and it can be considered as a good “meat analogue” having the nutritional and nutraceutical richness of fermented soybeans and mushroom.

  15. Profile of sarilumab and its potential in the treatment of rheumatoid arthritis

    Directory of Open Access Journals (Sweden)

    Raimondo MG

    2017-05-01

    Full Text Available Maria Gabriella Raimondo,1 Martina Biggioggero,1 Chiara Crotti,1 Andrea Becciolini,2 Ennio Giulio Favalli2 1Department of Clinical Sciences and Health Community, Division of Rheumatology, University of Milan, 2Department of Rheumatology, Gaetano Pini Institute, Milan, Italy Abstract: In recent years the use of biotechnological agents has drastically revolutionized the therapeutic approach and the progression of rheumatoid arthritis (RA. In particular, interleukin-6 (IL-6 has been demonstrated as a pivotal cytokine in the pathogenesis of the disease by contributing to both the innate and the adaptive immune system perturbation, and to the production of acute-phase proteins involved in the systemic expression of the disorder. The first marketed IL-6 blocker was tocilizumab, a humanized anti-IL-6 receptor (anti-IL-6R monoclonal antibody. The successful use of tocilizumab in RA has encouraged the development of other biologic agents specifically targeting the IL-6 pathway, either directed against IL-6 cytokine (sirukumab, olokizumab, and clazakizumab or IL-6 receptor (sarilumab. One Phase II and six Phase III randomized controlled trials demonstrated a broad efficacy of sarilumab across all RA patient subtypes, ranging from methotrexate (MTX to tumor necrosis factor inhibitor insufficient responders. In particular, sarilumab as monotherapy demonstrated a clear head-to-head superiority over adalimumab in MTX-intolerant subjects. In addition, compared with tocilizumab, sarilumab showed a similar safety profile with significantly higher affinity and longer half-life, responsible for a reduction of the frequency of administration (every other week instead weekly. All these aspects may be important in defining the strategy for positioning sarilumab in the treatment algorithm of RA. Indeed, observational data coming from post-marketing real-life studies may provide crucial additional information for better understanding the role of sarilumab in the

  16. Organochlorine pesticides in soils and air of southern Mexico: Chemical profiles and potential for soil emissions

    Science.gov (United States)

    Wong, Fiona; Alegria, Henry A.; Jantunen, Liisa M.; Bidleman, Terry F.; Salvador-Figueroa, Miguel; Gold-Bouchot, Gerardo; Ceja-Moreno, Victor; Waliszewski, Stefan M.; Infanzon, Raul

    The extent of organochlorine pesticides (OCs) contamination in southern Mexico was investigated in this study. Biweekly air samplings were carried out in two sites in the state of Chiapas (during 2002-2003), and one in each state of Veracruz and Tabasco (during 2003-2004). Corresponding to the air sampling locations, soil samples were also collected to gauge the soil-air exchange of OCs in the region. ∑DDTs in soils ranged from 0.057 to 360 ng g -1 whereas those in air ranged from 240 to 2400 pg m -3. DDT and metabolite DDE were expressed as fractional values, FDDTe = p, p'-DDT/( p, p'-DDT + p, p'-DDE) and FDDTo = p,p'-DDT/( p,p'-DDT + o,p'-DDT). FDDTe in soils ranged from 0.30 to 0.69 while those in air ranged from 0.45 to 0.84. FDDTe in air at a farm in Chiapas (0.84) was closer to that of technical DDT (0.95) which is suggestive of fresh DDT input. Enantiomer fractions (EF) of o,p'-DDT in air were racemic at all locations (0.500-0.504). However, nonracemic o,p'-DDT was seen in the soils (EFs = 0.456-0.647). Fugacities of OCs in soil ( fs) and air ( fa) were calculated, and the fugacity fraction, ff = fs/( fs + fa) of DDTs ranged from 0.013 to 0.97 which indicated a mix of net deposition ( ff 0.5) from soil among the sites. It is suggested that DDTs in Mexico air are due to a combination of ongoing regional usage and re-emission of old DDT residues from soils. Total toxaphene in soils ranged from 0.066 to 69 ng g -1 while levels in air ranged from 6.2 to 230 pg m -3. Chromatographic profiles of toxaphenes in both air and soil showed depletion of Parlar congeners 39 and 42. Fugacity fractions of toxaphene were within the equilibrium range or above the upper equilibrium threshold boundary. These findings suggested that soil emission of old residues is the main source of toxaphenes to the atmosphere. Results from this study provide baseline data for establishing a long-term OC monitoring program in Mexico.

  17. Proteomic Profiling of Neuroblastoma Cells Adhesion on Hyaluronic Acid-Based Surface for Neural Tissue Engineering

    Directory of Open Access Journals (Sweden)

    Ming-Hui Yang

    2016-01-01

    Full Text Available The microenvironment of neuron cells plays a crucial role in regulating neural development and regeneration. Hyaluronic acid (HA biomaterial has been applied in a wide range of medical and biological fields and plays important roles in neural regeneration. PC12 cells have been reported to be capable of endogenous NGF synthesis and secretion. The purpose of this research was to assess the effect of HA biomaterial combining with PC12 cells conditioned media (PC12 CM in neural regeneration. Using SH-SY5Y cells as an experimental model, we found that supporting with PC12 CM enhanced HA function in SH-SY5Y cell proliferation and adhesion. Through RP-nano-UPLC-ESI-MS/MS analyses, we identified increased expression of HSP60 and RanBP2 in SH-SY5Y cells grown on HA-modified surface with cotreatment of PC12 CM. Moreover, we also identified factors that were secreted from PC12 cells and may promote SH-SY5Y cell proliferation and adhesion. Here, we proposed a biomaterial surface enriched with neurotrophic factors for nerve regeneration application.

  18. Profile of bosutinib and its clinical potential in the treatment of chronic myeloid leukemia

    Directory of Open Access Journals (Sweden)

    Keller-von Amsberg G

    2013-03-01

    Full Text Available Gunhild Keller-von Amsberg,1 Steffen Koschmieder21Department of Hematology and Oncology, University Cancer Center Hamburg, University Hospital Hamburg Eppendorf, 2Department of Medicine (Hematology, Oncology, and Stem Cell Transplantation, University Medical Center of Aachen and RWTH Aachen University, Aachen, GermanyAbstract: Bosutinib (SKI-606 is an orally available, once-daily, dual Src and Abl kinase inhibitor with promising clinical potential in first-, second-, and third-line treatment of chronic myeloid leukemia (CML. Bosutinib effectively inhibits wild-type BCR-ABL and most imatinib-resistant BCR-ABL mutations except for V299L and T315I. Low hematologic toxicity is a remarkable characteristic of this novel second-generation tyrosine kinase inhibitor, and this has been ascribed to its minimal activity against the platelet-derived growth factor receptor and KIT. Low-grade, typically self-limiting diarrhea, which usually appears within the first few weeks after treatment initiation, represents the predominant toxicity of bosutinib. Other treatment-associated adverse events are mostly mild to moderate. Bosutinib has been approved by the US Food and Drug Administration for the treatment of chronic, accelerated, or blast phase Philadelphia chromosome-positive CML in adult patients with resistance or intolerance to prior therapy. This review summarizes the main properties of bosutinib and the currently available data on its clinical potential in the treatment of CML.Keywords: bosutinib, chronic myeloid leukemia, BCR-ABL, Src/Abl kinase inhibitor, point mutation, imatinib resistance

  19. LINKING MOTOR-RELATED BRAIN POTENTIALS AND VELOCITY PROFILES IN MULTI-JOINT ARM REACHING MOVEMENTS

    Directory of Open Access Journals (Sweden)

    Julià L Amengual

    2014-04-01

    Full Text Available The study of the movement related brain potentials (MRPBs needs accurate technical approaches to disentangle the specific patterns of bran activity during the preparation and execution of movements. During the last forty years, synchronizing the electromiographic activation (EMG of the muscle with the electrophysiological recordings (EEG has been commonly ussed for these purposes. However, new clinical approaches in the study of motor diseases and rehabilitation suggest the demand of new paradigms that might go further into the study of the brain activity associated with the kinematics of movement. As a response to this call, we have used a 3-D hand tracking system with the aim to record continuously the position of an ultrasonic sender located on the hand during the performance of multi-joint self-pace movements. We synchronized the time-series of position of velocity of the sender with the EEG recordings, obtaining specific patterns of brain activity as a function of the fluctuations of the kinematics during the natural movement performance. Additionally, the distribution of the brain activity during the preparation and execution phases of movement was similar that reported previously using the EMG, suggesting the validity of our technique. We claim that this paradigm could be usable in patients because of its simplicity and the potential knowledge that can be extracted from clinical protocols.

  20. The Profile and Antimicrobial Activity of Bacillus Lipopeptide Extracts of Five Potential Biocontrol Strains

    Directory of Open Access Journals (Sweden)

    Ivica Dimkić

    2017-05-01

    Full Text Available In this study the efficacy of two different methods for extracting lipopeptides produced by five Bacillus strains-ethyl acetate extraction, and acid precipitation followed by methanol extraction—was investigated using mass spectrometry. High performance thin layer chromatography (HPTLC was also used for the simultaneous separation of complex mixtures of lipopeptide extracts and for the determination of antimicrobial activity of their components. The mass spectra clearly showed well-resolved groups of peaks corresponding to different lipopeptide families (kurstakins, iturins, surfactins, and fengycins. The ethyl acetate extracts produced the most favorable results. The extracts of SS-12.6, SS-13.1, and SS-38.4 showed the highest inhibition zones. An iturin analog is responsible for the inhibition of Xanthomonas arboricola and Pseudomonas syringae phytopathogenic strains. HPTLC bioautography effectively identified the active compounds from a mixture of lipopeptide extracts, proving in situ its potential for use in direct detection and determination of antimicrobials. In the test of potential synergism among individual extracts used in different mixtures, stronger antimicrobial effects were not observed. Biochemical and phylogenetic analysis clustered isolates SS-12.6, SS-13.1, SS-27.2, and SS-38.4 together with Bacillus amyloliquefaciens, while SS-10.7 was more closely related to Bacillus pumilus.