Science.gov

Sample records for fast chemical separations

  1. Multiparametric fat–water separation method for fast chemical-shift imaging guidance of thermal therapies

    PubMed Central

    Lin, Jonathan S.; Hwang, Ken-Pin; Jackson, Edward F.; Hazle, John D.; Jason Stafford, R.; Taylor, Brian A.

    2013-01-01

    Purpose: A k-means-based classification algorithm is investigated to assess suitability for rapidly separating and classifying fat/water spectral peaks from a fast chemical shift imaging technique for magnetic resonance temperature imaging. Algorithm testing is performed in simulated mathematical phantoms and agar gel phantoms containing mixed fat/water regions. Methods: Proton resonance frequencies (PRFs), apparent spin-spin relaxation (T2*) times, and T1-weighted (T1-W) amplitude values were calculated for each voxel using a single-peak autoregressive moving average (ARMA) signal model. These parameters were then used as criteria for k-means sorting, with the results used to determine PRF ranges of each chemical species cluster for further classification. To detect the presence of secondary chemical species, spectral parameters were recalculated when needed using a two-peak ARMA signal model during the subsequent classification steps. Mathematical phantom simulations involved the modulation of signal-to-noise ratios (SNR), maximum PRF shift (MPS) values, analysis window sizes, and frequency expansion factor sizes in order to characterize the algorithm performance across a variety of conditions. In agar, images were collected on a 1.5T clinical MR scanner using acquisition parameters close to simulation, and algorithm performance was assessed by comparing classification results to manually segmented maps of the fat/water regions. Results: Performance was characterized quantitatively using the Dice Similarity Coefficient (DSC), sensitivity, and specificity. The simulated mathematical phantom experiments demonstrated good fat/water separation depending on conditions, specifically high SNR, moderate MPS value, small analysis window size, and low but nonzero frequency expansion factor size. Physical phantom results demonstrated good identification for both water (0.997 ± 0.001, 0.999 ± 0.001, and 0.986 ± 0.001 for DSC, sensitivity, and specificity, respectively

  2. Two-column sequential injection chromatography for fast isocratic separation of two analytes of greatly differing chemical properties.

    PubMed

    Šatínský, Dalibor; Chocholouš, Petr; Válová, Olga; Hanusová, Lucia; Solich, Petr

    2013-09-30

    This paper deals with a novel approach to separate two analytes with different chemical properties and different lipophilicity. The newly described methodology is based on the two column system that was used for isocratic separation of two analytes with very different lipophilicity-dexamethasone and cinchocaine. Simultaneous separation of model compounds cinchocaine and dexamethasone was carried under the following conditions in two-column sequential injection chromatography system (2-C SIC). A 25×4.6 mm C-18 monolithic column was used in the first dimension for retention and separation of dexamethasone with mobile phase acetonitrile:water 30:70 (v/v), flow rate 0.9 mL min(-1) and consumption of 1.7 mL. A 10×4.6 mm C-18 monolithic column with 5×4.6 mm C-18 precolumn was used in the second dimension for retention and separation of cinchocaine using mobile phase acetonitrile:water 60:40 (v/v), flow rate 0.9 mL min(-1) and consumption 1.5 mL. Whole analysis time including both mobile phase's aspirations and both column separations was performed in less than 4 min. The method was fully validated and used for determination of cinchocaine and dexamethasone in pharmaceutical otic drops. The developed 2-C SIC method was compared with HPLC method under the isocratic conditions of separation on monolithic column (25×4.6 mm C-18). Spectrophotometric detection of both compounds was performed at wavelength 240 nm. System repeatability and method precision were found in the range (0.39-3.12%) for both compounds. Linearity of determination was evaluated in the range 50-500 μg mL(-1) and coefficients of determination were found to be r(2)=0.99912 for dexamethasone and r(2)=0.99969 for cinchocaine. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Estimation of time-variable fast flow path chemical concentrations for application in tracer-based hydrograph separation analyses

    USGS Publications Warehouse

    Kronholm, Scott C.; Capel, Paul D.

    2016-01-01

    Mixing models are a commonly used method for hydrograph separation, but can be hindered by the subjective choice of the end-member tracer concentrations. This work tests a new variant of mixing model that uses high-frequency measures of two tracers and streamflow to separate total streamflow into water from slowflow and fastflow sources. The ratio between the concentrations of the two tracers is used to create a time-variable estimate of the concentration of each tracer in the fastflow end-member. Multiple synthetic data sets, and data from two hydrologically diverse streams, are used to test the performance and limitations of the new model (two-tracer ratio-based mixing model: TRaMM). When applied to the synthetic streams under many different scenarios, the TRaMM produces results that were reasonable approximations of the actual values of fastflow discharge (±0.1% of maximum fastflow) and fastflow tracer concentrations (±9.5% and ±16% of maximum fastflow nitrate concentration and specific conductance, respectively). With real stream data, the TRaMM produces high-frequency estimates of slowflow and fastflow discharge that align with expectations for each stream based on their respective hydrologic settings. The use of two tracers with the TRaMM provides an innovative and objective approach for estimating high-frequency fastflow concentrations and contributions of fastflow water to the stream. This provides useful information for tracking chemical movement to streams and allows for better selection and implementation of water quality management strategies.

  4. Estimation of time-variable fast flow path chemical concentrations for application in tracer-based hydrograph separation analyses

    NASA Astrophysics Data System (ADS)

    Kronholm, Scott C.; Capel, Paul D.

    2016-09-01

    Mixing models are a commonly used method for hydrograph separation, but can be hindered by the subjective choice of the end-member tracer concentrations. This work tests a new variant of mixing model that uses high-frequency measures of two tracers and streamflow to separate total streamflow into water from slowflow and fastflow sources. The ratio between the concentrations of the two tracers is used to create a time-variable estimate of the concentration of each tracer in the fastflow end-member. Multiple synthetic data sets, and data from two hydrologically diverse streams, are used to test the performance and limitations of the new model (two-tracer ratio-based mixing model: TRaMM). When applied to the synthetic streams under many different scenarios, the TRaMM produces results that were reasonable approximations of the actual values of fastflow discharge (±0.1% of maximum fastflow) and fastflow tracer concentrations (±9.5% and ±16% of maximum fastflow nitrate concentration and specific conductance, respectively). With real stream data, the TRaMM produces high-frequency estimates of slowflow and fastflow discharge that align with expectations for each stream based on their respective hydrologic settings. The use of two tracers with the TRaMM provides an innovative and objective approach for estimating high-frequency fastflow concentrations and contributions of fastflow water to the stream. This provides useful information for tracking chemical movement to streams and allows for better selection and implementation of water quality management strategies.

  5. The method for on-site determination of trace concentrations of methyl mercaptan and dimethyl sulfide in air using a mobile mass spectrometer with atmospheric pressure chemical ionization, combined with a fast enrichment/separation system.

    PubMed

    Kudryavtsev, Andrey S; Makas, Alexey L; Troshkov, Mikhail L; Grachev, Mikhail А; Pod'yachev, Sergey P

    2014-06-01

    A method for fast simultaneous on-site determination of methyl mercaptan and dimethyl sulfide in air was developed. The target compounds were actively collected on silica gel, followed by direct flash thermal desorption, fast separation on a short chromatographic column and detection by means of mass spectrometer with atmospheric pressure chemical ionization. During the sampling of ambient air, water vapor was removed with a Nafion selective membrane. A compact mass spectrometer prototype, which was designed earlier at Trofimuk Institute of Petroleum Geology and Geophysics, was used. The minimization of gas load of the atmospheric pressure ion source allowed reducing the power requirements and size of the vacuum system and increasing its ruggedness. The measurement cycle is about 3 min. Detection limits in a 0.6 L sample are 1 ppb for methyl mercaptan and 0.2 ppb for dimethyl sulfide. Copyright © 2014 Elsevier B.V. All rights reserved.

  6. Separations Needs for the Alternate Chemical Cycles

    SciTech Connect

    Frederick F. Stewart

    2007-05-01

    The bulk of the efforts for the development of a hydrogen production plant supported by the Nuclear Hydrogen Initiative (NHI) have been directed towards the sulfur-iodine (S-I) thermochemical cycle. However, it was judged prudent to re-investigate alternate chemical cycles in light of new developments and technical accomplishments derived from the current S-I work. This work analyzes the available data for the promising alternate chemical cycles to provide an understanding of their inherent chemical separations needs. None of the cycles analyzed have separations that are potential “show stoppers”; although some of the indicated separations will be challenging to perform. The majority of the separations involve processes that are either more achievable or more developed

  7. Separated Representations and Fast Algorithms for Materials Science

    DTIC Science & Technology

    2007-10-29

    SUBJECT TERMS Separated representations, Green’s function, fast algorithms, Schrodinger equation Gregory Beylkin, Lucas Monzon and Fernando Perez...started the process of comparing our approach to solving multiparticle Schrodinger equation to that currently used in Quantum Chemistry. (a) Papers...J. Mohlenkamp, and Fernando Perez, "Toward Solving the Multiparticle Schrodinger Equation via an Unconstrained Sum of Slater Determinants", Pacific

  8. Separation of uranium isotopes by chemical exchange

    DOEpatents

    Ogle, P.R. Jr.

    1974-02-26

    A chemical exchange method is provided for separating /sup 235/U from / sup 238/U comprising contacting a first phase containing UF/sub 6/ with a second phase containing a compound selected from the group consisting of NOUF/sub 6/, NOUF/sub 7/, and NO/sub 2/UF/sub 7/ until the U Fsub 6/ in the first phase becomes enriched in the /sup 235/U isotope. (Official Gazette)

  9. Blind speech separation system for humanoid robot with FastICA for audio filtering and separation

    NASA Astrophysics Data System (ADS)

    Budiharto, Widodo; Santoso Gunawan, Alexander Agung

    2016-07-01

    Nowadays, there are many developments in building intelligent humanoid robot, mainly in order to handle voice and image. In this research, we propose blind speech separation system using FastICA for audio filtering and separation that can be used in education or entertainment. Our main problem is to separate the multi speech sources and also to filter irrelevant noises. After speech separation step, the results will be integrated with our previous speech and face recognition system which is based on Bioloid GP robot and Raspberry Pi 2 as controller. The experimental results show the accuracy of our blind speech separation system is about 88% in command and query recognition cases.

  10. First chemical separation and identification of Seaborgium

    SciTech Connect

    Tuerler, A.; Eichler, B.; Jost, D.T.; Hoffman, D.C.

    1997-12-31

    The chemical properties of element 106 (Seaborgium, Sg) were successfully studied using the On-line Gas Chromatography Apparatus (OLGA III). After chemical separation of Sg in the form of volatile oxichlorides the nuclides {sup 265}Sg and {sup 266}Sg were unambiguously identified and their half-lives were determined for the first time. The Sg nuclides were produced from the {sup 248}Cm({sup 22}Ne, 4,5n){sup 266,265}Sg reaction at the GSI Darmstadt UNILAC accelerator. Simultaneously, short-lived W nuclides were produced from a small admixture of {sup 152}Gd to the Cm target material. As predicted by relativistic calculations and by extrapolations of chemical properties, it was demonstrated that Sg oxichlorides are indeed less volatile than their lighter homologue W- and Mo-oxichlorides.

  11. Chemical separation of disc components using RAVE

    NASA Astrophysics Data System (ADS)

    Wojno, Jennifer; Kordopatis, Georges; Steinmetz, Matthias; McMillan, Paul; Matijevič, Gal; Binney, James; Wyse, Rosemary F. G.; Boeche, Corrado; Just, Andreas; Grebel, Eva K.; Siebert, Arnaud; Bienaymé, Olivier; Gibson, Brad K.; Zwitter, Tomaž; Bland-Hawthorn, Joss; Navarro, Julio F.; Parker, Quentin A.; Reid, Warren; Seabroke, George; Watson, Fred

    2016-10-01

    We present evidence from the RAdial Velocity Experiment (RAVE) survey of chemically separated, kinematically distinct disc components in the solar neighbourhood. We apply probabilistic chemical selection criteria to separate our sample into α-low (`thin disc') and α-high (`thick disc') sequences. Using newly derived distances, which will be utilized in the upcoming RAVE DR5, we explore the kinematic trends as a function of metallicity for each of the disc components. For our α-low disc, we find a negative trend in the mean rotational velocity (Vφ) as a function of iron abundance ([Fe/H]). We measure a positive gradient ∂Vφ/∂[Fe/H] for the α-high disc, consistent with results from high-resolution surveys. We also find differences between the α-low and α-high discs in all three components of velocity dispersion. We discuss the implications of an α-low, metal-rich population originating from the inner Galaxy, where the orbits of these stars have been significantly altered by radial mixing mechanisms in order to bring them into the solar neighbourhood. The probabilistic separation we propose can be extended to other data sets for which the accuracy in [α/Fe] is not sufficient to disentangle the chemical disc components a priori. For such data sets which will also have significant overlap with Gaia DR1, we can therefore make full use of the improved parallax and proper motion data as it becomes available to investigate kinematic trends in these chemical disc components.

  12. Fast Mechanically Driven Daughter Cell Separation Is Widespread in Actinobacteria.

    PubMed

    Zhou, Xiaoxue; Halladin, David K; Theriot, Julie A

    2016-08-30

    Dividing cells of the coccoid Gram-positive bacterium Staphylococcus aureus undergo extremely rapid (millisecond) daughter cell separation (DCS) driven by mechanical crack propagation, a strategy that is very distinct from the gradual, enzymatically driven cell wall remodeling process that has been well described in several rod-shaped model bacteria. To determine if other bacteria, especially those in the same phylum (Firmicutes) or with similar coccoid shapes as S. aureus, might use a similar mechanically driven strategy for DCS, we used high-resolution video microscopy to examine cytokinesis in a phylogenetically wide range of species with various cell shapes and sizes. We found that fast mechanically driven DCS is rather rare in the Firmicutes (low G+C Gram positives), observed only in Staphylococcus and its closest coccoid relatives in the Macrococcus genus, and we did not observe this division strategy among the Gram-negative Proteobacteria In contrast, several members of the high-G+C Gram-positive phylum Actinobacteria (Micrococcus luteus, Brachybacterium faecium, Corynebacterium glutamicum, and Mycobacterium smegmatis) with diverse shapes ranging from coccoid to rod all undergo fast mechanical DCS during cell division. Most intriguingly, similar fast mechanical DCS was also observed during the sporulation of the actinobacterium Streptomyces venezuelae Much of our knowledge on bacterial cytokinesis comes from studying rod-shaped model organisms such as Escherichia coli and Bacillus subtilis Less is known about variations in this process among different bacterial species. While cell division in many bacteria has been characterized to some extent genetically or biochemically, few species have been examined using video microscopy to uncover the kinetics of cytokinesis and daughter cell separation (DCS). In this work, we found that fast (millisecond) DCS is exhibited by species in two independent clades of Gram-positive bacteria and is particularly prevalent

  13. Fast and Robust Recursive Algorithmsfor Separable Nonnegative Matrix Factorization.

    PubMed

    Gillis, Nicolas; Vavasis, Stephen A

    2014-04-01

    In this paper, we study the nonnegative matrix factorization problem under the separability assumption (that is, there exists a cone spanned by a small subset of the columns of the input nonnegative data matrix containing all columns), which is equivalent to the hyperspectral unmixing problem under the linear mixing model and the pure-pixel assumption. We present a family of fast recursive algorithms and prove they are robust under any small perturbations of the input data matrix. This family generalizes several existing hyperspectral unmixing algorithms and hence provides for the first time a theoretical justification of their better practical performance.

  14. Fast Mechanically Driven Daughter Cell Separation Is Widespread in Actinobacteria

    PubMed Central

    Zhou, Xiaoxue; Halladin, David K.

    2016-01-01

    ABSTRACT Dividing cells of the coccoid Gram-positive bacterium Staphylococcus aureus undergo extremely rapid (millisecond) daughter cell separation (DCS) driven by mechanical crack propagation, a strategy that is very distinct from the gradual, enzymatically driven cell wall remodeling process that has been well described in several rod-shaped model bacteria. To determine if other bacteria, especially those in the same phylum (Firmicutes) or with similar coccoid shapes as S. aureus, might use a similar mechanically driven strategy for DCS, we used high-resolution video microscopy to examine cytokinesis in a phylogenetically wide range of species with various cell shapes and sizes. We found that fast mechanically driven DCS is rather rare in the Firmicutes (low G+C Gram positives), observed only in Staphylococcus and its closest coccoid relatives in the Macrococcus genus, and we did not observe this division strategy among the Gram-negative Proteobacteria. In contrast, several members of the high-G+C Gram-positive phylum Actinobacteria (Micrococcus luteus, Brachybacterium faecium, Corynebacterium glutamicum, and Mycobacterium smegmatis) with diverse shapes ranging from coccoid to rod all undergo fast mechanical DCS during cell division. Most intriguingly, similar fast mechanical DCS was also observed during the sporulation of the actinobacterium Streptomyces venezuelae. PMID:27578753

  15. Codependency: a disorder separate from chemical dependency.

    PubMed

    O'Brien, P E; Gaborit, M

    1992-01-01

    This study examined the relationship between codependency (an excessive preoccupation with the lives, feelings, and problems of others), chemical dependency of a significant other, and depression. The Significant Others' Drug Use Survey (SODS) determined whether the subject was in a relationship with a significant other at risk of being chemically dependent. Beck's Depression Inventory (BDI) was used to assess depression. Two hypotheses were tested: first, that codependency exists independently of chemical dependency and, second, that codependent people tend to be more depressed than non-codependents. Results supported the first hypothesis, but not the second. A significant correlation between depression and having a significant other likely to be chemically dependent was observed. The usefulness of the concept of codependency is discussed with proposals for subsequent research.

  16. Fast centrifugal partition chromatography as a preparative-scale separation technique for citrus flavones

    USDA-ARS?s Scientific Manuscript database

    Fast centrifugal partition chromatography (FCPC) is a preparative-scale separations methodology based on the principles of counter current chromatography. Separations by FCPC are typically achieved with higher recoveries and with lower solvent use compared to conventional column chromatography. HSCP...

  17. Quantum dynamics of fast chemical reactions

    SciTech Connect

    Light, J.C.

    1993-12-01

    The aims of this research are to explore, develop, and apply theoretical methods for the evaluation of the dynamics of gas phase collision processes, primarily chemical reactions. The primary theoretical tools developed for this work have been quantum scattering theory, both in time dependent and time independent forms. Over the past several years, the authors have developed and applied methods for the direct quantum evaluation of thermal rate constants, applying these to the evaluation of the hydrogen isotopic exchange reactions, applied wave packet propagation techniques to the dissociation of Rydberg H{sub 3}, incorporated optical potentials into the evaluation of thermal rate constants, evaluated the use of optical potentials for state-to-state reaction probability evaluations, and, most recently, have developed quantum approaches for electronically non-adiabatic reactions which may be applied to simplify calculations of reactive, but electronically adiabatic systems. Evaluation of the thermal rate constants and the dissociation of H{sub 3} were reported last year, and have now been published.

  18. Technologies and microstructures for separation techniques in chemical analysis

    NASA Astrophysics Data System (ADS)

    Spiering, Vincent L.; Lammerink, Theo S. J.; Jansen, Henri V.; Fluitman, Jan H.; van den Berg, Albert

    1996-09-01

    The possibilities for microtechnology in chemical analysis and separation techniques are discussed. The combination of the materials and the dimensions of structures can limit the sample and waste volumes on the one hand, but also increases the performance of the chemical systems. Especially in high performance chromatography separation systems, where the separation quality is directly depending on the length to width ratio of the fluid channels, there is a large potential for applications. Novel technologies as well as demonstrator devices for different applications will be presented in this paper. Finally, a modular concept for microfluidic systems, in which these micromachined structures can be incorporated, is described and illustrated with a demonstrator.

  19. Quantum Theory of Fast Chemical Reactions

    SciTech Connect

    Light, John C

    2007-07-30

    The aims of the research under this grant were to develop a theoretical understanding and predictive abiility for a variety of processes occurring in the gas phase. These included bimolecular chemical exchange reactions, photodissociation, predissociation resonances, unimolecular reactions and recombination reactions. In general we assumed a knowledge, from quantum chemistry, of the interactions of the atoms and molecular fragments involved. Our focus was primarily on the accurate (quantum) dynamics of small molecular systems. This has been important for many reactions related to combustion and atmospheric chemistry involving light atom transfer reactions and, for example, resonances in dissociation and recombination reactions. The rates of such reactions, as functions of temperature, internal states, and radiation (light), are fundamental for generating models of overall combustion processes. A number of new approaches to these problems were developed inclluding the use of discrete variable representations (DVR's) for evaluating rate constants with the flux-flux correlation approach, finite range approaches to exact quantum scattering calculations, energy selected basis representations, transition state wave packet approaches and improved semiclassical approaches. These (and others) were applied to a number of reactive systems and molecular systems of interest including (many years ago) the isotopic H + H2 exchange reactions, the H2 + OH (and H + H2O) systems, Ozone resonances, van der Waals molecule reactions, etc. A total of 7 graduate students, and 5 post-doctoral Research Associates were supported, at least in part, under this grant and seven papers were published with a total of 10 external collaborators. The majority of the 36 publications under this grant were supported entirely by DOE.

  20. Assessment of chemically separated carbon nanotubes for nanoelectronics.

    PubMed

    Zhang, Li; Zaric, Sasa; Tu, Xiaomin; Wang, Xinran; Zhao, Wei; Dai, Hongjie

    2008-02-27

    It remains an elusive goal to obtain high performance single-walled carbon-nanotube (SWNT) electronics such as field effect transistors (FETs) composed of single- or few-chirality SWNTs, due to broad distributions in as-grown materials. Much progress has been made by various separation approaches to obtain materials enriched in metal or semiconducting nanotubes or even in single chiralties. However, research in validating SWNT separations by electrical transport measurements and building functional electronic devices has been scarce. Here, we performed length, diameter, and chirality separation of DNA functionalized HiPco SWNTs by chromatography methods, and we characterized the chiralities by photoluminescence excitation spectroscopy, optical absorption spectroscopy, and electrical transport measurements. The use of these combined methods provided deeper insight to the degree of separation than either technique alone. Separation of SWNTs by chirality and diameter occurred at varying degrees that decreased with increasing tube diameter. This calls for new separation methods capable of metallicity or chirality separation of large diameter SWNTs (in the approximately 1.5 nm range) needed for high performance nanoelectronics. With most of the separated fractions enriched in semiconducting SWNTs, nanotubes placed in parallel in short-channel (approximately 200 nm) electrical devices fail to produce FETs with high on/off switching, indicating incomplete elimination of metallic species. In rare cases with a certain separated SWNT fraction, we were able to fabricate FET devices composed of small-diameter, chemically separated SWNTs in parallel, with high on-/off-current (I(on)/I(off)) ratios up to 105 owing to semiconducting SWNTs with only a few (n,m) chiralities in the fraction. This was the first time that chemically separated SWNTs were used for short channel, all-semiconducting SWNT electronics dominant by just a few (n,m)'s. Nevertheless, the results suggest that

  1. Fast isobaric separation at the collector of ISOL-facilities

    NASA Astrophysics Data System (ADS)

    Beyer, G. J.; Novgorodov, A. F.; Kovalev, A.; Prazak, F.; Khalkin, V. A.; Yushkevich, Yu. V.

    1981-07-01

    The release of radioactive isotopes of Rb, Sr, Y, Zr, Ba, several rare earth elements, Ra, Ac and Th after implantation at 45 keV into collector foils using the isotope separator of the JASNAPP-facility have been investigated. The heating of the collector foils inside a vacuum chamber up to defined temperatures caused a separation of the implanted elements. The separation-coefficients α for a 180 s heating period in an off-line mode are the following (Ta-backing was used in all cases except for αZr/Y in which case Zr-backing was used):

  2. Correlation of fast and slow chemical shift spinning sideband patterns under fast magic-angle spinning

    NASA Astrophysics Data System (ADS)

    Eléna, Bénédicte; Hediger, Sabine; Emsley, Lyndon

    2003-01-01

    A new two-dimensional solid-state NMR experiment, which correlates slow and fast chemical shift anisotropy sideband patterns is proposed. The experiment, dubbed ROSES, is performed under fast magic-angle spinning and leads to an isotropic spectrum in the directly detected ω2 dimension. In the evolution dimension ω1, the isotropic chemical shift is reduced by a factor S, and spinning sidebands are observed spaced by a scaled effective spinning speed ωR/ S. These spinning sidebands patterns are not identical to those observed with standard slow magic-angle spinning experiments. Chemical shift anisotropy parameters can be accurately extracted with standard methods from these spinning sideband patterns. The experiment is demonstrated with carbon-13 experiments on powdered samples of a dipeptide and a cyclic undecapeptide, cyclosporin-A.

  3. Means and method of detection in chemical separation procedures

    DOEpatents

    Yeung, E.S.; Koutny, L.B.; Hogan, B.L.; Cheung, C.K.; Yinfa Ma.

    1993-03-09

    A means and method are described for indirect detection of constituent components of a mixture separated in a chemical separation process. Fluorescing ions are distributed across the area in which separation of the mixture will occur to provide a generally uniform background fluorescence intensity. For example, the mixture is comprised of one or more charged analytes which displace fluorescing ions where its constituent components separate to. Fluorescing ions of the same charge as the charged analyte components cause a displacement. The displacement results in the location of the separated components having a reduced fluorescence intensity to the remainder of the background. Detection of the lower fluorescence intensity areas can be visually, by photographic means and methods, or by automated laser scanning.

  4. Means and method of detection in chemical separation procedures

    DOEpatents

    Yeung, Edward S.; Koutny, Lance B.; Hogan, Barry L.; Cheung, Chan K.; Ma, Yinfa

    1993-03-09

    A means and method for indirect detection of constituent components of a mixture separated in a chemical separation process. Fluorescing ions are distributed across the area in which separation of the mixture will occur to provide a generally uniform background fluorescence intensity. For example, the mixture is comprised of one or more charged analytes which displace fluorescing ions where its constituent components separate to. Fluorescing ions of the same charge as the charged analyte components cause a displacement. The displacement results in the location of the separated components having a reduced fluorescence intensity to the remainder of the background. Detection of the lower fluorescence intensity areas can be visually, by photographic means and methods, or by automated laser scanning.

  5. Separation methods and chemical and nutritional characteristics of tomato pomace

    USDA-ARS?s Scientific Manuscript database

    Tomato processing generates a large amount of pomace as a low value by-product primarily used as livestock feed or disposed. The objectives of this research were to investigate the chemical and nutritional characteristics and determine effective separation methods of peel and seed of commercial toma...

  6. Identification of Heavy and Superheavy Nuclides Using Chemical Separator Systems

    SciTech Connect

    Turler, Andreas

    1999-12-31

    With the recent synthesis of superheavy nuclides produced in the reactions {sup 48}Ca+{sup 238}U and {sup 48}Ca+{sup 242,244}Pu, much longer-lived nuclei than the previously known neutron-deficient isotopes of the heaviest elements have been identified. Half-lives of several hours and up to several years have been predicted for the longest-lived isotopes of these elements. Thus, the sensitivity of radiochemical separation techniques may present a viable alternative to physical separator systems for the discovery of some of the predicted longer-lived heavy and superheavy nuclides. The advantages of chemical separator systems in comparison to kinematic separators lie in the possibility of using thick targets, high beam intensities spread over larger target areas and in providing access to nuclides emitted under large angles and low velocities. Thus, chemical separator systems are ideally suited to study also transfer and (HI, axn) reaction products. In the following, a study of (HI, axn) reactions will be presented and prospects to chemically identify heavy and superheavy elements discussed.

  7. Fast separation of triterpenoids by supercritical fluid chromatography/evaporative light scattering detector.

    PubMed

    Lesellier, E; Destandau, E; Grigoras, C; Fougère, L; Elfakir, C

    2012-12-14

    The screening of plant material, the chemical composition, the abundance and the biological activity of triterpenoids are of a major economical importance. The classical analytical methods, such as TLC, GC, and HPLC are either little resolutive, or require derivatization steps, or fail in sensitivity. The supercritical fluid chromatography/evaporative light scattering detector (SFC/ELSD) coupling provides high resolution, fast analysis and higher responses for the analysis of triterpenoids. After the initial screening of seven stationary phases to select the well suited one, analytical conditions (modifier percentage, from 10 to 3%; backpressure (from 12 to 18 MPa) and temperature (from 15 to 25 °C) were studied to improve the separation, and ELSD detection of a standard mixture composed of 8 triterpenoids (oleanolic acid, erythrodiol, β-amyrin, ursolic acid, uvaol, betulinic acid, betulin, lupeol). Applied to apple pomace extracts, this method allows the separation of about 15 triterpenoid compounds, in less than 20 min, with isocratic conditions. Moreover, the ELSD response is dramatically higher than the one provided by UV detection, and avoids derivatization steps. An attempt to identify some compounds was done by collecting chromatographic peaks and further analyzing them with mass spectrometry. Complete identification or molecular formula could be proposed for 11 compounds. However, due to the presence of position and orientation isomers the absolute identification remains difficult, despite some retention rules deduced from the standard analysis.

  8. Remotely detected NMR for the characterization of flow and fast chromatographic separations using organic polymer monoliths.

    PubMed

    Teisseyre, Thomas Z; Urban, Jiri; Halpern-Manners, Nicholas W; Chambers, Stuart D; Bajaj, Vikram S; Svec, Frantisek; Pines, Alexander

    2011-08-01

    An application of remotely detected magnetic resonance imaging is demonstrated for the characterization of flow and the detection of fast, small molecule separations within hypercrosslinked polymer monoliths. The hyper-cross-linked monoliths exhibited excellent ruggedness, with a transit time relative standard deviation of less than 2.1%, even after more than 300 column volumes were pumped through at high pressure and flow. Magnetic resonance imaging enabled high-resolution intensity and velocity-encoded images of mobile phase flow through the monolith. The images confirm that the presence of a polymer monolith within the capillary disrupts the parabolic laminar flow profile that is characteristic of mobile phase flow within an open tube. As a result, the mobile phase and analytes are equally distributed in the radial direction throughout the monolith. Also, in-line monitoring of chromatographic separations of small molecules at high flow rates is shown. The coupling of monolithic chromatography columns and NMR provides both real-time peak detection and chemical shift information for small aromatic molecules. These experiments demonstrate the unique power of magnetic resonance, both direct and remote, in studying chromatographic processes.

  9. Separation of peptides on superficially porous particle based macrocyclic glycopeptide liquid chromatography stationary phases: consideration of fast separations.

    PubMed

    Wimalasinghe, Rasangi M; Breitbach, Zachary S; Lee, Jauh T; Armstrong, Daniel W

    2017-03-01

    Macrocyclic glycopeptide based liquid chromatography stationary phases are known for their highly selective peptide separations. Fast and ultrafast (t R < 1 min) high-efficiency separations were achieved with superficially porous particle (SPP)-based stationary phases. Separations of pharmaceutically important classes of peptides such as enkephalins and bradykinins have been achieved in less than 5 min in isocratic elution modes. Selectivity for peptides structurally similar to one another was increased with use of teicoplanin-based stationary phases compared with commercial C18 stationary phases. Ultrafast isocratic separations of structurally related peptides were achieved with teicoplanin- and vancomycin-based short SPP columns. Acidic mobile phases produced better separations. Ammonium formate was the optimal mobile phase buffer additive. Use of an appropriate combination of a macrocyclic glycopeptide stationary phase and a mobile phase permits faster and more electrospray ionization mass spectrometry compatible isocratic separations than previous gradient approaches. The tryptic peptide separation characteristics of the teicoplanin stationary phase are demonstrated. Additionally, compared with commercial C18 stationary phases, teicoplanin showed tryptic peptide separations with different selectivities. Graphical Abstract Ultrafast separation of enkephalin peptide epimers.

  10. Implementation of pipelined FastICA on FPGA for real-time blind source separation.

    PubMed

    Shyu, Kuo-Kai; Lee, Ming-Huan; Wu, Yu-Te; Lee, Po-Lei

    2008-06-01

    Fast independent component analysis (FastICA) algorithm separates the independent sources from their mixtures by measuring non-Gaussian. FastICA is a common offline method to identify artifact and interference from their mixtures such as electroencephalogram (EEG), magnetoencephalography (MEG), and electrocardiogram (ECG). Therefore, it is valuable to implement FastICA for real-time signal processing. In this paper, the FastICA algorithm is implemented in a field-programmable gate array (FPGA), with the ability of real-time sequential mixed signals processing by the proposed pipelined FastICA architecture. Moreover, in order to increase the numbers precision, the hardware floating-point (FP) arithmetic units had been carried out in the hardware FastICA. In addition, the proposed pipeline FastICA provides the high sampling rate (192 kHz) capability by hand coding the hardware FastICA in hardware description language (HDL). To verify the features of the proposed hardware FastICA, simulations are first performed, then real-time signal processing experimental results are presented using the fabricated platform. Experimental results demonstrate the effectiveness of the presented hardware FastICA as expected.

  11. Separation of the isotopes of boron by chemical exchange reactions

    DOEpatents

    McCandless, Frank P.; Herbst, Ronald S.

    1995-01-01

    The isotopes of boron, .sup.10 B and .sup.11 B, are separated by means of a gas-liquid chemical exchange reaction involving the isotopic equilibrium between gaseous BF.sub.3 and a liquid BF.sub.3 . donor molecular addition complex formed between BF.sub.3 gas and a donor chosen from the group consisting of: nitromethane, acetone, methyl isobutyl ketone, or diisobutyl ketone.

  12. Separation of the isotopes of boron by chemical exchange reactions

    DOEpatents

    McCandless, F.P.; Herbst, R.S.

    1995-05-30

    The isotopes of boron, {sup 10}B and {sup 11}B, are separated by means of a gas-liquid chemical exchange reaction involving the isotopic equilibrium between gaseous BF{sub 3} and a liquid BF{sub 3} donor molecular addition complex formed between BF{sub 3} gas and a donor chosen from the group consisting of: nitromethane, acetone, methyl isobutyl ketone, or diisobutyl ketone. 1 Fig.

  13. Multiscale stochastic simulations of chemical reactions with regulated scale separation

    SciTech Connect

    Koumoutsakos, Petros; Feigelman, Justin

    2013-07-01

    We present a coupling of multiscale frameworks with accelerated stochastic simulation algorithms for systems of chemical reactions with disparate propensities. The algorithms regulate the propensities of the fast and slow reactions of the system, using alternating micro and macro sub-steps simulated with accelerated algorithms such as τ and R-leaping. The proposed algorithms are shown to provide significant speedups in simulations of stiff systems of chemical reactions with a trade-off in accuracy as controlled by a regulating parameter. More importantly, the error of the methods exhibits a cutoff phenomenon that allows for optimal parameter choices. Numerical experiments demonstrate that hybrid algorithms involving accelerated stochastic simulations can be, in certain cases, more accurate while faster, than their corresponding stochastic simulation algorithm counterparts.

  14. Multiscale stochastic simulations of chemical reactions with regulated scale separation

    NASA Astrophysics Data System (ADS)

    Koumoutsakos, Petros; Feigelman, Justin

    2013-07-01

    We present a coupling of multiscale frameworks with accelerated stochastic simulation algorithms for systems of chemical reactions with disparate propensities. The algorithms regulate the propensities of the fast and slow reactions of the system, using alternating micro and macro sub-steps simulated with accelerated algorithms such as τ and R-leaping. The proposed algorithms are shown to provide significant speedups in simulations of stiff systems of chemical reactions with a trade-off in accuracy as controlled by a regulating parameter. More importantly, the error of the methods exhibits a cutoff phenomenon that allows for optimal parameter choices. Numerical experiments demonstrate that hybrid algorithms involving accelerated stochastic simulations can be, in certain cases, more accurate while faster, than their corresponding stochastic simulation algorithm counterparts.

  15. Desulphurization of lignites by slow, fast, and flash pyrolysis and high intensity dry magnetic separation

    SciTech Connect

    Koca, H.; Kockar, O.M.; Koca, S.

    2007-07-01

    Slow, fast and flash pyrolysis followed by high intensity dry magnetic (HIDM) separation experiments were conducted to obtain improved solid fuels. Pyrolysis experiments were performed in three different apparatus, and important parameters of processes, temperature, particle size, residence time and heating rate were studied to determine the optimum conditions. Desulphurization of lignites by flash pyrolysis is more successful than slow and fast pyrolysis. At optimum conditions of pyrolysis, up to 58.15, 60.24, and 62.31% sulphur reductions were obtained in slow, fast and flash pyrolysis, respectively. Char, obtained from the pyrolysis experiments, was further cleaned by a Permroll HIDM separator. Sulphur reduction enhanced up to 82.68, 84.40, and 86.55% in the char of slow, fast and flash pyrolysis, respectively.

  16. Local chemical composition of nanophase-separated polymer brushes.

    PubMed

    Filimon, M; Kopf, I; Schmidt, D A; Bründermann, E; Rühe, J; Santer, S; Havenith, M

    2011-06-28

    Using scattering scanning nearfield infrared microscopy (s-SNIM), we have imaged the nanoscale phase separation of mixed polystyrene-poly(methyl methacrylate) (PS-PMMA) brushes and investigated changes in the top layer as a function of solvent exposure. We deduce that the top-layer of the mixed brushes is composed primarily of PMMA after exposure to acetone, while after exposure to toluene this changes to PS. Access to simultaneously measured topographic and chemical information allows direct correlation of the chemical morphology of the sample with topographic information. Our results demonstrate the potential of s-SNIM for chemical mapping based on distinct infrared absorption properties of polymers with a high spatial resolution of 80 nm × 80 nm.

  17. A Survey of Chemical Separation in Accreting Neutron Stars

    NASA Astrophysics Data System (ADS)

    Mckinven, Ryan; Cumming, Andrew; Medin, Zach; Schatz, Hendrik

    2016-06-01

    The heavy element ashes of rp-process hydrogen and helium burning in accreting neutron stars are compressed to high density where they freeze, forming the outer crust of the star. We calculate the chemical separation on freezing for a number of different nuclear mixtures resulting from a range of burning conditions for the rp-process. We confirm the generic result that light nuclei are preferentially retained in the liquid and heavy nuclei in the solid. This is in agreement with the previous study of a 17-component mixture of rp-process ashes by Horowitz et al., but extends that result to a much larger range of compositions. We also find an alternative phase separation regime for the lightest ash mixtures which does not demonstrate this generic behavior. With a few exceptions, we find that chemical separation reduces the expected {Q}{{imp}} in the outer crust compared to the initial rp-process ash, where {Q}{{imp}} measures the mean-square dispersion in atomic number Z of the nuclei in the mixture. We find that the fractional spread of Z plays a role in setting the amount of chemical separation and is strongly correlated to the divergence between the two/three-component approximations and the full component model. The contrast in Y e between the initial rp-process ashes and the equilibrium liquid composition is similar to that assumed in earlier two-component models of compositionally driven convection, except for very light compositions which produce nearly negligible convective driving. We discuss the implications of these results for observations of accreting neutron stars.

  18. Laser fluorescence spectroscopy on fast ion beams at the Marburg separator

    NASA Astrophysics Data System (ADS)

    Wagner, H.; Dörschel, K.; Höhle, C.; Hühnermann, H.; Meier, Th.

    Optical hyperfine structure and isotope shift measurements have been performed on Xe +, Ba + and La +-ions using an electromagnetic mass separator for the preselection of the isotopes by fast ion beam laser spectroscopy. The different measuring techniques used are described and their precision and sensitivity are discussed.

  19. Compound Cue Processing within the Fast and Frugal Heuristics Approach in Nonlinearly Separable Environments

    ERIC Educational Resources Information Center

    Garcia-Retamero, Rocio; Hoffrage, Ulrich; Dieckmann, Anja; Ramos, Manuel

    2007-01-01

    Three experiments investigated whether participants used Take The Best (TTB) Configural, a fast and frugal heuristic that processes configurations of cues when making inferences concerning which of two alternatives has a higher criterion value. Participants were presented with a compound cue that was nonlinearly separable from its elements. The…

  20. Compound Cue Processing within the Fast and Frugal Heuristics Approach in Nonlinearly Separable Environments

    ERIC Educational Resources Information Center

    Garcia-Retamero, Rocio; Hoffrage, Ulrich; Dieckmann, Anja; Ramos, Manuel

    2007-01-01

    Three experiments investigated whether participants used Take The Best (TTB) Configural, a fast and frugal heuristic that processes configurations of cues when making inferences concerning which of two alternatives has a higher criterion value. Participants were presented with a compound cue that was nonlinearly separable from its elements. The…

  1. Template synthesized molecularly imprinted polymer nanotube membranes for chemical separations.

    PubMed

    Wang, Hai-Juan; Zhou, Wen-Hui; Yin, Xiao-Fei; Zhuang, Zhi-Xia; Yang, Huang-Hao; Wang, Xiao-Ru

    2006-12-20

    In this report, we describe the synthesis of a molecularly imprinted polymer (MIP) nanotube membrane, using a porous anodic alumina oxide (AAO) membrane by surface-initiated atom transfer radical polymerization (ATRP). The use of a MIP nanotube membrane in chemical separations gives the advantage of high affinity and selectivity. Furthermore, because the molecular imprinting technique can be applied to different kinds of target molecules, ranging from small organic molecules to peptides and proteins, such MIP nanotube membranes will considerably broaden the application of nanotube membranes in chemical separations and sensors. This report also shows that the ATRP route is an efficient procedure for the preparation of molecularly imprinted polymers. Furthermore, the ATRP route works well in its formation of MIP nanotubes within a porous AAO membrane. The controllable nature of ATRP allows the growth of a MIP nanotube with uniform pores and adjustable thickness. Thus, using the same route, it is possible to tailor the synthesis of MIP nanotube membranes with either thicker MIP nanotubes for capacity improvement or thinner nanotubes for efficiency improvement.

  2. Fast sparse Raman spectral unmixing for chemical fingerprinting and quantification

    NASA Astrophysics Data System (ADS)

    Yaghoobi, Mehrdad; Wu, Di; Clewes, Rhea J.; Davies, Mike E.

    2016-10-01

    Raman spectroscopy is a well-established spectroscopic method for the detection of condensed phase chemicals. It is based on scattered light from exposure of a target material to a narrowband laser beam. The information generated enables presumptive identification from measuring correlation with library spectra. Whilst this approach is successful in identification of chemical information of samples with one component, it is more difficult to apply to spectral mixtures. The capability of handling spectral mixtures is crucial for defence and security applications as hazardous materials may be present as mixtures due to the presence of degradation, interferents or precursors. A novel method for spectral unmixing is proposed here. Most modern decomposition techniques are based on the sparse decomposition of mixture and the application of extra constraints to preserve the sum of concentrations. These methods have often been proposed for passive spectroscopy, where spectral baseline correction is not required. Most successful methods are computationally expensive, e.g. convex optimisation and Bayesian approaches. We present a novel low complexity sparsity based method to decompose the spectra using a reference library of spectra. It can be implemented on a hand-held spectrometer in near to real-time. The algorithm is based on iteratively subtracting the contribution of selected spectra and updating the contribution of each spectrum. The core algorithm is called fast non-negative orthogonal matching pursuit, which has been proposed by the authors in the context of nonnegative sparse representations. The iteration terminates when the maximum number of expected chemicals has been found or the residual spectrum has a negligible energy, i.e. in the order of the noise level. A backtracking step removes the least contributing spectrum from the list of detected chemicals and reports it as an alternative component. This feature is particularly useful in detection of chemicals

  3. Ultrahigh-throughput proteomics using fast RPLC separations with ESI-MS/MS.

    PubMed

    Shen, Yufeng; Smith, Richard D; Unger, Klaus K; Kumar, Dipika; Lubda, Dieter

    2005-10-15

    We describe approaches for proteomics analysis using electrospray ionization-tandem mass spectrometry coupled with fast reversed-phase liquid chromatography (RPLC) separations. The RPLC separations used 50-microm-i.d. fused-silica capillaries packed with submicrometer-sized C18-bonded porous silica particles and achieved peak capacities of 130-420 for analytes from proteome tryptic digests. When these separations were combined with linear ion trap tandem mass spectrometry measurements, approximately 1000 proteins could be identified in 50 min from approximately 4000 identified tryptic peptides; approximately 550 proteins in 20 min from approximately 1800 peptides; and approximately 250 proteins in 8 min from approximately 700 peptides for a S. oneidensis tryptic digest. The dynamic range for protein identification with the fast separations was determined to be approximately 3-4 orders of magnitude of relative protein abundance on the basis of known proteins in human blood plasma analyses. We found that 55% of the MS/MS spectra acquired during the entire analysis (and up to 100% of the MS/MS spectra acquired from the most data-rich zone) provided sufficient quality for identifying peptides. The results confirm that such analyses using very fast (minutes) RPLC separations based on columns packed with microsized porous particles are primarily limited by the MS/MS analysis speed.

  4. Chemical weapons detection by fast neutron activation analysis techniques

    NASA Astrophysics Data System (ADS)

    Bach, P.; Ma, J. L.; Froment, D.; Jaureguy, J. C.

    1993-06-01

    A neutron diagnostic experimental apparatus has been tested for nondestructive verification of sealed munitions. Designed to potentially satisfy a significant number of van-mobile requirements, this equipment is based on an easy to use industrial sealed tube neutron generator that interrogates the munitions of interest with 14 MeV neutrons. Gamma ray spectra are detected with a high purity germanium detector, especially shielded from neutrons and gamma ray background. A mobile shell holder has been used. Possible configurations allow the detection, in continuous or in pulsed modes, of gamma rays from neutron inelastic scattering, from thermal neutron capture, and from fast or thermal neutron activation. Tests on full scale sealed munitions with chemical simulants show that those with chlorine (old generation materials) are detectable in a few minutes, and those including phosphorus (new generation materials) in nearly the same time.

  5. Spinel type CoFe oxide porous nanosheets as magnetic adsorbents with fast removal ability and facile separation.

    PubMed

    Ge, X; Gu, C D; Wang, X L; Tu, J P

    2015-09-15

    Adsorption is often time consuming due to slow diffusion kinetic. Sizing he adsorbent down might help to accelerate adsorption. For CoFe spinel oxide, a magnetically separable adsorbent, the preparation of nanosheets faces many challenges including phase separation, grain growth and difficulty in preparing two-dimensional materials. In this work, we prepared porous CoFe oxide nanosheet with chemical formula of Co2.698Fe0.302O4 through topochemical transformation of a CoFe precursor, which has a layered double hydroxide (LDH) analogue structure and a large interlayer spacing. The LDH precursor was synthesized from a cheap deep eutectic solvent (DES) system. The calcined Co2.698Fe0.302O4 has small grain size (10-20nm), nanosheet morphology, and porous structure, which contribute to a large specific surface area of 79.5m(2)g(-1). The Co2.698Fe0.302O4 nanosheets show fast removal ability and good adsorption capacity for both organic waste (305mgg(-1) in 5min for Congo red) and toxic heavy metal ion (5.27mgg(-1) in 30min for Cr (VI)). Furthermore, the Co2.698Fe0.302O4 can be separated magnetically. Considering the precursor can be prepared through a fast, simple, surfactant-free and high-yield synthetic strategy, this work should have practical significance in fabricating adsorbents.

  6. Gompertz kinetics model of fast chemical neurotransmission currents.

    PubMed

    Easton, Dexter M

    2005-10-01

    At a chemical synapse, transmitter molecules ejected from presynaptic terminal(s) bind reversibly with postsynaptic receptors and trigger an increase in channel conductance to specific ions. This paper describes a simple but accurate predictive model for the time course of the synaptic conductance transient, based on Gompertz kinetics. In the model, two simple exponential decay terms set the rates of development and decline of transmitter action. The first, r, triggering conductance activation, is surrogate for the decelerated rate of growth of conductance, G. The second, r', responsible for Y, deactivation of the conductance, is surrogate for the decelerated rate of decline of transmitter action. Therefore, the differential equation for the net conductance change, g, triggered by the transmitter is dg/dt=g(r-r'). The solution of that equation yields the product of G(t), representing activation, and Y(t), which defines the proportional decline (deactivation) of the current. The model fits, over their full-time course, published records of macroscopic ionic current associated with fast chemical transmission. The Gompertz model is a convenient and accurate method for routine analysis and comparison of records of synaptic current and putative transmitter time course. A Gompertz fit requiring only three independent rate constants plus initial current appears indistinguishable from a Markov fit using seven rate constants.

  7. Monte Carlo analysis of thermochromatography as a fast separation method for nuclear forensics

    SciTech Connect

    Hall, Howard L

    2012-01-01

    Nuclear forensic science has become increasingly important for global nuclear security, and enhancing the timeliness of forensic analysis has been established as an important objective in the field. New, faster techniques must be developed to meet this objective. Current approaches for the analysis of minor actinides, fission products, and fuel-specific materials require time-consuming chemical separation coupled with measurement through either nuclear counting or mass spectrometry. These very sensitive measurement techniques can be hindered by impurities or incomplete separation in even the most painstaking chemical separations. High-temperature gas-phase separation or thermochromatography has been used in the past for the rapid separations in the study of newly created elements and as a basis for chemical classification of that element. This work examines the potential for rapid separation of gaseous species to be applied in nuclear forensic investigations. Monte Carlo modeling has been used to evaluate the potential utility of the thermochromatographic separation method, albeit this assessment is necessarily limited due to the lack of available experimental data for validation.

  8. Chemical separations by bubble-assisted interphase mass-transfer.

    PubMed

    Boyd, David A; Adleman, James R; Goodwin, David G; Psaltis, Demetri

    2008-04-01

    We show that when a small amount of heat is added close to a liquid-vapor interface of a captive gas bubble in a microchannel, interphase mass-transfer through the bubble can occur in a controlled manner with only a slight change in the temperature of the fluid. We demonstrate that this method, which we refer to as bubble-assisted interphase mass-transfer (BAIM), can be applied to interphase chemical separations, e.g., simple distillation, without the need for high temperatures, vacuum, or active cooling. Although any source of localized heating could be used, we illustrate BAIM with an all-optical technique that makes use of the plasmon resonance in an array of nanoscale metal structures that are incorporated into the channel to produce localized heating of the fluid when illuminated by a stationary low-power laser.

  9. Miniaturized low-cost ion mobility spectrometer for fast detection of chemical warfare agents.

    PubMed

    Zimmermann, Stefan; Barth, Sebastian; Baether, Wolfgang K M; Ringer, Joachim

    2008-09-01

    Ion mobility spectrometry (IMS) is a well-known method for detecting hazardous compounds in air. Typical applications are the detection of chemical warfare agents, highly toxic industrial compounds, explosives, and drugs of abuse. Detection limits in the low part per billion range, fast response times, and simple instrumentation make this technique more and more popular. In particular, there is an increasing demand for miniaturized low-cost IMS for hand-held devices and air monitoring of public areas by sensor networks. In this paper, we present a miniaturized aspiration condenser type ion mobility spectrometer for fast detection of chemical warfare agents. The device is easy to manufacture and allows single substance identification down to low part per billion-level concentrations within seconds. The improved separation power results from ion focusing by means of geometric constraints and fluid dynamics. A simple pattern recognition algorithm is used for the identification of trained substances in air. The device was tested at the German Armed Forces Scientific Institute for Protection Technologies-NBC-Protection. Different chemical warfare agents, such as sarin, tabun, soman, US-VX, sulfur mustard, nitrogen mustard, and lewisite were tested. The results are presented here.

  10. Separation of DNA fragments for fast diagnosis by microchip electrophoresis using programmed field strength gradient.

    PubMed

    Kang, Seong Ho; Park, Mira; Cho, Keunchang

    2005-08-01

    We evaluated a novel strategy for fast diagnosis by microchip electrophoresis (ME), using programmed field strength gradients (PFSG) in a conventional glass double-T microfluidic chip. The ME-PFSG allows for the ultrafast separation and enhanced resolving power for target DNA fragments. These results are based on electric field strength gradients (FSG) that use an ME separation step in a sieving gel matrix poly-(ethylene oxide). The gradient can develop staircase or programmed shapes FSG over the time. The PFSG method could be easily used to increase separation efficiency and resolution in ME separation of specific size DNA fragments. Compared to ME that uses a conventional and constantly applied electric field (isoelectrostatic) method, the ME-PFSG achieved about 15-fold faster analysis time during the separation of 100 bp DNA ladder. The ME-PFSG was also applied to the fast analysis of the PCR products, 591 and 1191 bp DNA fragments from the 18S rRNA of Babesia gibsoni and Babesia caballi.

  11. Fuel clad chemical interactions in fast reactor MOX fuels

    NASA Astrophysics Data System (ADS)

    Viswanathan, R.

    2014-01-01

    Clad corrosion being one of the factors limiting the life of a mixed-oxide fast reactor fuel element pin at high burn-up, some aspects known about the key elements (oxygen, cesium, tellurium, iodine) in the clad-attack are discussed and many Fuel-Clad-Chemical-Interaction (FCCI) models available in the literature are also discussed. Based on its relatively superior predictive ability, the HEDL (Hanford Engineering Development Laboratory) relation is recommended: d/μm = ({0.507 ṡ [B/(at.% fission)] ṡ (T/K-705) ṡ [(O/M)i-1.935]} + 20.5) for (O/M)i ⩽ 1.98. A new model is proposed for (O/M)i ⩾ 1.98: d/μm = [B/(at.% fission)] ṡ (T/K-800)0.5 ṡ [(O/M)i-1.94] ṡ [P/(W cm-1)]0.5. Here, d is the maximum depth of clad attack, B is the burn-up, T is the clad inner surface temperature, (O/M)i is the initial oxygen-to-(uranium + plutonium) ratio, and P is the linear power rating. For fuels with [n(Pu)/n(M = U + Pu)] > 0.25, multiplication factors f are recommended to consider the potential increase in the depth of clad-attack.

  12. Predicting the evolution of fast chemical reactions in chaotic flows.

    PubMed

    Tsang, Yue-Kin

    2009-08-01

    We study the fast irreversible bimolecular reaction in a two-dimensional chaotic flow. The reactants are initially segregated and together fill the whole domain. Simulations show that the reactant concentration decays exponentially with rate lambda and then crosses over to the algebraic law of chemical kinetics in the final stage of the reaction. We estimate the crossover time from the reaction rate constant and the flow parameters. The exponential decay phase of the reaction can be described in terms of an equivalent passive scalar problem, allowing us to predict lambda using the theory of passive scalar advection. Depending on the relative length scale between the velocity and the concentration fields, lambda is either related to the distribution of the finite-time Lyapunov exponent of the flow or given in terms of an effective diffusivity which is independent of the small-scale stretching properties of the flow. For the former case, we suggest an optimal choice of flow parameters at which lambda is maximum.

  13. Analysis of pesticide residues by fast gas chromatography in combination with negative chemical ionization mass spectrometry.

    PubMed

    Húsková, Renáta; Matisová, Eva; Hrouzková, Svetlana; Svorc, Lubomír

    2009-08-28

    A combination of fast GC with narrow-bore column and bench top quadrupole mass spectrometer (MS) detector in negative chemical ionization (NCI) mode (with methane as reagent gas) is set up and utilized for the ultratrace analysis of 25 selected pesticides. The observed pesticides, belonging to the endocrine disrupting chemicals (EDCs), were from different chemical classes. A comparative study with electron impact (EI) ionization was also carried out (both techniques in selected ion monitoring (SIM) mode). The programmed temperature vaporizer (PTV) injector in solvent vent mode and narrow-bore column (15mx0.15mm I.D.x0.15microm film of 5% diphenyl 95% dimethylsiloxane stationary phase) were used for effective and fast separation. Heptachlor (HPT) as internal standard (I.S.) was applied for the comparison of results obtained from absolute and normalized peak areas. Non-fatty food matrices were investigated. Fruit (apple - matrix-matched standards; orange, strawberry, plum - real samples) and vegetable (lettuce - real sample) extracts were prepared by a quick and effective QuEChERS sample preparation technique. Very good results were obtained for the characterization of fast GC-NCI-MS method analysing EDCs pesticides. Analyte response was linear from 0.01 to 150microgkg(-1) with the R(2) values in the range from 0.9936 to 1.0000 (calculated from absolute peak areas) and from 0.9956 to 1.0000 (calculated from peak areas normalized to HPT). Instrument limits of detection (LODs) and quantification (LOQs) were found at pgmL(-1) level and for the majority of analytes were up to three orders of magnitude lower for NCI compared to EI mode. In both ionization modes, repeatability of measurements expressed as relative standard deviation (RSDs) was less than 10% which is in very good agreement with the criterion of European Union.

  14. Separate activation of fast and slow inhibitory postsynaptic potentials in rat neocortex in vitro.

    PubMed Central

    Benardo, L S

    1994-01-01

    Synaptic inhibition was investigated by stimulating inhibitory neurones with focal microapplications of glutamate, while recording from layer V pyramidal neurones of rat somatosensory cortical slices. One class of inhibitory postsynaptic potentials (IPSPs) thus elicited was characterized as a fast, chloride-mediated, GABAA IPSP in part by its fast time-to-peak (mean 2.5 ms) and brief duration, but primarily on the basis of its reversal potential at -68 mV, and its blockade by picrotoxin. The average peak amplitude for these fast IPSPs was -1.5 mV, measured at -60 mV. The peak conductance calculated for these events was about 10 nS. The conductance change associated with the maximal fast inhibitory postsynaptic potential resulting from electrical stimulation of afferent pathways ranged up to 116 nS. A second class of IPSP was encountered much less frequently. These glutamate-triggered events were characterized as slow, potassium-mediated GABAB IPSPs partly because of their longer times-to-peak (mean, 45 ms) and duration, but especially because of their extrapolated equilibrium potential at about -89 mV and blockade by 2-hydroxysaclofen. The average peak amplitude for these slow IPSPs was -2.3 mV, measured at -60 mV. The peak conductance for these events was about 8 nS. IPSPs resulting from the excitation of individual inhibitory interneurones were elicited by glutamate microapplication at particular locations relative to recording sites. Both fast and slow IPSPs were generated, but these occurred as separate events, and mixed responses were never seen. Thus, the two mechanistically distinct types of IPSPs which result from GABA interaction at GABAA and GABAB receptors on neocortical neurones may be mediated by separate classes of inhibitory neurones. PMID:7913968

  15. Separation of spinal cord motor signals using the FastICA method.

    PubMed

    Tie, Yanmei; Sahin, Mesut

    2005-12-01

    Evoked motor signals descending down the corticospinal tract can be recorded selectively with multi-contact electrodes from the spinal cord surface. This method of extracting motor signals from the spinal cord may provide a means of communication for people with spinal cord injury. The information rate obtained with such an interface will improve if the separation of neural channels can be increased. In this study, the feasibility of increasing the channel separation was investigated using the blind source separation (BSS) technique. Neural signals recorded with multi-contact surface electrodes were treated as a linear mixture of independent neural sources located inside the spinal cord. Principal component analysis (PCA) was applied to estimate the dimensionality of the raw signals, and then the fixed-point FastICA algorithm was used to separate the primary neural sources from the secondary (smaller) ones. In all trials but one, the separation between the neural channels has increased by eliminating the secondary sources. These results suggest that the information rate of a spinal cord interface can be improved by separating the neural recordings into their independent components and selecting the ones with the largest distance between them. Comparison of independent component analysis (ICA) and PCA reveals that ICA performs better in this application.

  16. Bio-/Photo-Chemical Separation and Recovery of Uranium

    SciTech Connect

    Francis,A.J.; Dodge, C.J.

    2008-03-12

    Citric acid forms bidentate, tridentate, binuclear or polynuclear species with transition metals and actinides. Biodegradation of metal citrate complexes is influenced by the type of complex formed with metal ions. While bidentate complexes are readily biodegraded, tridentate, binuclear and polynuclear species are recalcitrant. Likewise certain transition metals and actinides are photochemically active in the presence of organic acids. Although the uranyl citrate complex is not biodegraded, in the presence of visible light it undergoes photochemical oxidation/reduction reactions which result in the precipitation of uranium as UO{sub 3} {center_dot} H{sub 2}O. Consequently, we developed a process where uranium is extracted from contaminated soils and wastes by citric acid. The citric-acid extract is subjected to biodegradation to recover the toxic metals, whereas uranyl citrate which is recalcitrant remains in solution. Photochemical degradation of the uranium citrate complex resulted in the precipitation of uranium. Thus the toxic metals and uranium in mixed waste are recovered in separate fractions for recycling or for disposal. The use of naturally-occurring compounds and the combined chemical and microbiological treatment process is more efficient than present methods and should result in considerable savings in cost.

  17. Fast and continuous-flow detection and separation of DNA complexes and DNA in nanofluidic chip format.

    PubMed

    Viefhues, Martina; Regtmeier, Jan; Anselmetti, Dario

    2015-01-01

    Fast separation of DNA and detection of protein/DNA complexes are important in many state-of-the-art molecular medicine technologies, like the production of gene vaccines or medical diagnostics. Here, we describe a nanofluidic chip-based technique for fast, efficient, and virtually label-free detection and separation of protein/DNA and drug/DNA complexes and topological DNA variants. The mechanism is based on a continuous-flow dielectrophoresis at a nanoslit and allows efficient separation of small DNA fragments (<7,000 base pairs) and fast detection of DNA complexes within 1 min.

  18. Self-organized nanoporous materials for chemical separations and chemical sensing

    NASA Astrophysics Data System (ADS)

    Pandey, Bipin

    Self-organized nanoporous materials have drawn a lot of attention because the uniform, highly dense, and ordered cylindrical nanopores in these materials provide a unique platform for chemical separations and chemical sensing applications. Here, we explore self-organized nanopores of PS-b-PMMA diblock copolymer thin films and anodic gallium oxide for chemical separations and sensing applications. In the first study, cyclic voltammograms of cytochrome c on recessed nanodisk-array electrodes (RNEs) based on nanoporous films (11, 14 or 24 nm in average pore diameter; 30 nm thick) derived from polystyrene-poly(methylmethacrylate) diblock copolymers were measured. The faradic current of cytochrome c was observed on RNEs, indicating the penetration of cytochrome c (hydrodynamic diameter ≈ 4 nm) through the nanopores to the underlying electrodes. Compared to the 24-nm pores, the diffusion of cytochrome c molecules through the 11- and 14-nm pores suffered significantly larger hindrance. The results reported in this study will provide guidance in designing RNEs for size-based chemical sensing and also for controlled immobilization of biomolecules within nanoporous media for biosensors and bioreactors. In another study, conditions for the formation of self-organized nanopores of a metal oxide film were investigated. Self-organized nanopores aligned perpendicular to the film surface were obtained upon anodization of gallium films in ice-cooled 4 and 6 M aqueous H2SO4 at 10 V and 15 V. The average pore diameter was in the range of 18 ~ 40 nm, and the anodic gallium oxide was ca. 2 microm thick. In addition, anodic formation of self-organized nanopores was demonstrated for a solid gallium monolith incorporated at the end of a glass capillary. Nanoporous anodic oxide monoliths formed from a fusible metal will lead to future development of unique devices for chemical sensing and catalysis. In the final study, surface chemical property of self-organized nanoporous anodic gallium

  19. Fast isotopic separation of (10) B and (11) B boric acid by capillary zone electrophoresis.

    PubMed

    Kamencev, Mikhail; Yakimova, Nina; Moskvin, Leonid; Kuchumova, Irina; Tkach, Kirill; Malinina, Yulia

    2016-11-01

    Fast isotopic separation of (10) B and (11) B boric acid by CZE was demonstrated. The BGE contained 25 mM phenylalanine and 5 mM putrescine (рН 8.95). The running conditions were +25 kV at 20°C with indirect photometric detection at 210 nm. Baseline separation was achieved in less than 9 min. RSD of migration times and corrected peak areas were less than 0.5 and 3%, respectively (n = 5). Linearity was demonstrated in the range 0.2-2 mM for (11) B and 0.2-0.5 mM for (10) B. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Slow and fast diffusion in a lead sulphate gravity separation process

    NASA Astrophysics Data System (ADS)

    Cregan, Vincent; Lee, William T.

    2017-02-01

    A model for the growth of lead sulphate particles in a gravity separation system from the crystal glassware industry is presented. The lead sulphate particles are an undesirable byproduct, and thus the model is used to ascertain the optimal system temperature configuration such that particle extraction is maximised. The model describes the evolution of a single, spherical particle due to the mass flux of lead particles from a surrounding acid solution. We divide the concentration field into two separate regions. Specifically, a relatively small boundary layer region around the particle is characterised by fast diffusion, and is thus considered quasi-static. In contrast, diffusion in the far-field is slower, and hence assumed to be time-dependent. The final system consisting of two nonlinear, coupled ordinary differential equations for the particle radius and lead concentration, is integrated numerically.

  1. Fast Method for Computing Chemical Potentials and Liquid-Liquid Phase Equilibria of Macromolecular Solutions.

    PubMed

    Qin, Sanbo; Zhou, Huan-Xiang

    2016-08-25

    Chemical potential is a fundamental property for determining thermodynamic equilibria involving exchange of molecules, such as between two phases of molecular systems. Previously, we developed the fast Fourier transform (FFT)-based method for Modeling Atomistic Protein-crowder interactions (FMAP) to calculate excess chemical potentials according to the Widom insertion. Intermolecular interaction energies were expressed as correlation functions and evaluated via FFT. Here, we extend this method to calculate liquid-liquid phase equilibria of macromolecular solutions. Chemical potentials are calculated by FMAP over a wide range of molecular densities, and the condition for coexistence of low- and high-density phases is determined by the Maxwell equal-area rule. When benchmarked on Lennard-Jones fluids, our method produces an accurate phase diagram at 18% of the computational cost of the current best method. Importantly, the gain in computational speed increases dramatically as the molecules become more complex, leading to many orders of magnitude in speed up for atomistically represented proteins. We demonstrate the power of FMAP by reporting the first results for the liquid-liquid coexistence curve of γII-crystallin represented at the all-atom level. Our method may thus open the door to accurate determination of phase equilibria for macromolecular mixtures such as protein-protein mixtures and protein-RNA mixtures, that are known to undergo liquid-liquid phase separation, both in vitro and in vivo.

  2. Mapping Liquid-liquid protein phase separation using ultra-fast-scanning fluorescence correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Wei, Ming-Tzo; Elbaum-Garfinkle, Shana; Arnold, Craig B.; Priestley, Rodney D.; Brangwynne, Clifford P.

    Intrinsically disordered proteins (IDPs) are an understudied class of proteins that play important roles in a wide variety of biological processes in cells. We've previously shown that the C. elegans IDP LAF-1 phase separates into P granule-like droplets in vitro. However, the physics of the condensed phase remains poorly understood. Here, we use a novel technique, ultra-fast-scanning fluorescence correlation spectroscopy, to study the nano-scale rheological properties of LAF-1 droplets. Ultra-fast-scanning FCS uses a tunable acoustic gradient index of refraction (TAG) lens with an oil immersion objective to control axial movement of the focal point over a length of several micrometers at frequencies of 70kHz. Using ultra-fast-scanning FCS allows for the accurate determination of molecular concentrations and their diffusion coefficient, when the particle is passing through an excitation volume. Our work reveals an asymmetric LAF-1 phase diagram, and demonstrates that LAF-1 droplets are purely viscous phases which are highly tunable by salt concentration.

  3. Combining Nondeterministic Separation and Chemical Interactions for Concentration of Nanoparticles

    DTIC Science & Technology

    2012-12-17

    10.1007/s002490050158. 2. J. P. Beech and J. O. Tegenfeldt, 2008, "Tuneable separation in elastomeric microfluidics devices," Lab on a Chip 8(5), 657...nature01736. 12. N. Pamme, 2007, "Continuous flow separations in microfluidic devices," Lab on a Chip 7(12), 1644– 1659. doi: 10.1039/b712784g. 13. S...

  4. Flash chemistry: fast chemical synthesis by using microreactors.

    PubMed

    Yoshida, Jun-ichi; Nagaki, Aiichiro; Yamada, Takeshi

    2008-01-01

    This concept article provides a brief outline of the concept of flash chemistry for carrying out extremely fast reactions in organic synthesis by using microreactors. Generation of highly reactive species is one of the key elements of flash chemistry. Another important element of flash chemistry is the control of extremely fast reactions to obtain the desired products selectively. Fast reactions are usually highly exothermic, and heat removal is an important factor in controlling such reactions. Heat transfer occurs very rapidly in microreactors by virtue of a large surface area per unit volume, making precise temperature control possible. Fast reactions often involve highly unstable intermediates, which decompose very quickly, making reaction control difficult. The residence time can be greatly reduced in microreactors, and this feature is quite effective in controlling such reactions. For extremely fast reactions, kinetics often cannot be used because of the lack of homogeneity of the reaction environment when they are conducted in conventional reactors such as flasks. Fast mixing using micromixers solves such problems. The concept of flash chemistry has been successfully applied to various organic reactions including a) highly exothermic reactions that are difficult to control in conventional reactors, b) reactions in which a reactive intermediate easily decomposes in conventional reactors, c) reactions in which undesired byproducts are produced in the subsequent reactions in conventional reactors, and d) reactions whose products easily decompose in conventional reactors. The concept of flash chemistry can be also applied to polymer synthesis. Cationic polymerization can be conducted with an excellent level of molecular-weight control and molecular-weight distribution control.

  5. Fast, high peak capacity separations in gas chromatography-time-of-flight mass spectrometry.

    PubMed

    Wilson, Ryan B; Hoggard, Jamin C; Synovec, Robert E

    2012-05-01

    Peak capacity production (i.e., peak capacity per separation run time) is substantially improved for gas chromatography-time-of-flight mass spectrometry (GC-TOFMS) and applied to the fast separation of complex samples. The increase in peak capacity production is achieved by selecting appropriate experimental conditions based on theoretical modeling of on-column band broadening, and by reducing the injection pulse width. Modeling to estimate the on-column band broadening from experimental parameters provided insight for the potential of achieving GC separations in the absence of off-column band broadening, i.e., the additional band broadening not due to the on-column separation process. To optimize GC-TOFMS separations collected with a commercial instrumental platform, off-column band broadening from injection and detection needed to be significantly reduced. Specifically for injection, a commercially available thermal modulator is adapted and applied (referred to herein as thermal injection) to provide a narrow injection pulse, while the TOFMS provided a data collection rate of 500 Hz, initially averaged to 100 Hz for data storage. The use of long, relatively narrow open tubular capillary columns and a 30 °C/min programming rate were explored for GC-TOFMS, specifically a 20 m, 100 μm inner diameter (i.d.) capillary column with a 0.4 μm film thickness to benefit column capacity, operated slightly below the optimal average linear gas velocity (at ~2 mL/min, due to the flow rate constraint of the TOFMS). Standard autoinjection with a 1:100 split resulted in an average peak width of ~1.2 s, hence a peak capacity production of 50 peaks/min. Metabolites in the headspace of urine were sampled by solid-phase microextraction (SPME), followed by thermal injection and a ~7 min GC separation (with a ~6 min separation time window), producing ~660 ms peak widths on average, resulting in a total peak capacity of ~550 peaks (at unit resolution) and a peak capacity production of

  6. Artificial receptor-functionalized nanoshell: facile preparation, fast separation and specific protein recognition.

    PubMed

    Ouyang, Ruizhuo; Lei, Jianping; Ju, Huangxian

    2010-05-07

    This work combined molecular imprinting technology with superparamagnetic nanospheres as the core to prepare artificial receptor-functionalized magnetic nanoparticles for separation of homologous proteins. Using dopamine as a functional monomer, novel surface protein-imprinted superparamagnetic polydopamine (PDA) core-shell nanoparticles were successfully prepared in physiological conditions, which could maintain the natural structure of a protein template and achieved the development of molecularly imprinted polymers (MIPs) from one dimension to zero dimension for efficient recognition towards large biomolecules. The resultant nanoparticles could be used for convenient magnetic separation of homologous proteins with high specificity. The nanoparticles possessed good monodispersibility, uniform surface morphology and high saturation magnetization value. The bound amounts of template proteins measured by both indirect and direct methods were in good agreement. The maximum number of imprinted cavities on the surface of the bovine hemoglobin (Hb)-imprinted nanoshell was 2.21 x 10(18) g( - 1), which well matched their maximum binding capacity toward bovine Hb. Both the simple method for preparation of MIPs and the magnetic nanospheres showed good application potential in fast separation, effective concentration and selective biosensing of large protein molecules.

  7. Separating Mechanical and Chemical Contributions to Molecular-Level Friction

    SciTech Connect

    KIM,HYUN I.; HOUSTON,JACK E.

    2000-08-14

    The authors use force-probe microscopy to study the friction force and the adhesive interaction for molecular monolayer self-assembled on both Au probe tips and substrate surfaces. By systematically varying the chemical nature of the end groups on these monolayers the authors have, for the first time, delineated the mechanical and chemical origins of molecular-level friction. They use chemically inert {double_bond}CH{sub 3} groups on both interracial surfaces to establish the purely mechanical component of the friction and contrast the results with the findings for chemically active {double_bond}COOH end-groups. In addition, by using odd or even numbers of methylene groups in the alkyl backbones of the molecules they are able to determine the levels of inter-film and intra-film hydrogen bonding.

  8. Desorption chemical ionization and fast atom bombardment mass spectrometric studies of the glucuronide metabolites of doxylamine.

    PubMed

    Lay, J O; Korfmacher, W A; Miller, D W; Siitonen, P; Holder, C L; Gosnell, A B

    1986-11-01

    Three glucuronide metabolites of doxylamine succinate were collected in a single fraction using high-performance liquid chromatography (HPLC) from the urine of dosed male Fischer 344 rats. The metabolites were then separated using an additional HPLC step into fractions containing predominantly a single glucuronide metabolite. Analysis of the metabolites by methane and ammonia desorption chemical ionization, with and without derivatization, revealed fragment ions suggestive of a hydroxylated doxylamine moiety. Identification of the metabolites as glucuronides of doxylamine, desmethyldoxylamine and didesmethyldoxylamine was accomplished, based on determination of the molecular weight and exact mass of each metabolite using fast atom bombardment (FAB) ionization. This assignment was confirmed by the fragmentation observed in FAB mass spectrometric and tandem mass spectrometric experiments. Para-substitution of the glucuronide on the phenyl moiety was observed by 500-MHz nuclear magnetic resonance (NMR) spectrometry. A fraction containing all three glucuronide metabolites, after a single stage of HPLC separation, was also analysed by FAB mass spectrometry, and the proton- and potassium-containing quasimolecular ions for all three metabolites were observed.

  9. Impacts of fast meteoroids and the separation of dust particles from the surface of the Moon

    NASA Astrophysics Data System (ADS)

    Popel, S. I.; Golub', A. P.; Lisin, E. A.; Izvekova, Yu. N.; Atamaniuk, B.; Dol'nikov, G. G.; Zakharov, A. V.; Zelenyi, L. M.

    2016-05-01

    The possibility of the separation of dust particles owing to impacts of micrometeoroids on the surface of the Moon has been discussed. It has been shown that this effect is significant and should be taken into account when determining the number of particles rising over the surface of the Moon at the formation of a plasma-dust system. The average number of regolith particles leaving the surface of the Moon owing to the impacts of fast meteoroids has been determined for various altitudes over the Moon. The size distribution function of particles leaving the surface of the Moon because of impacts of meteoroids has been determined. It has been shown that impacts of meteoroids constitute an important source of dust microparticles in the plasma-dust system over the surface of the Moon.

  10. Gluconic acid from biomass fast pyrolysis oils: specialty chemicals from the thermochemical conversion of biomass.

    PubMed

    Santhanaraj, Daniel; Rover, Marjorie R; Resasco, Daniel E; Brown, Robert C; Crossley, Steven

    2014-11-01

    Fast pyrolysis of biomass to produce a bio-oil followed by catalytic upgrading is a widely studied approach for the potential production of fuels from biomass. Because of the complexity of the bio-oil, most upgrading strategies focus on removing oxygen from the entire mixture to produce fuels. Here we report a novel method for the production of the specialty chemical, gluconic acid, from the pyrolysis of biomass. Through a combination of sequential condensation of pyrolysis vapors and water extraction, a solution rich in levoglucosan is obtained that accounts for over 30% of the carbon in the bio-oil produced from red oak. A simple filtration step yields a stream of high-purity levoglucosan. This stream of levoglucosan is then hydrolyzed and partially oxidized to yield gluconic acid with high purity and selectivity. This combination of cost-effective pyrolysis coupled with simple separation and upgrading could enable a variety of new product markets for chemicals from biomass. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. "Why do they have to grow up so fast?" Parental separation anxiety and emerging adults' pathology of separation-individuation.

    PubMed

    Kins, Evie; Soenens, Bart; Beyers, Wim

    2011-07-01

    This study examined associations between parental separation anxiety, controlling parenting, and difficulties in the separation-individuation process, as manifested in separation-individuation pathology. In a sample of emerging adults involved in the process of home leaving (N = 232) and their parents, it was found that parental separation anxiety is positively related to separation-individuation pathology in emerging adults. Dependency-oriented controlling parenting served as an intervening variable in the relationship between parents' feelings of separation anxiety and pathology of the separation-individuation process in emerging adults. These associations were not moderated by emerging adults' residential status (i.e., living with parents or (semi-)independently), suggesting that parental characteristics and behaviors remain important antecedents of separation-individuation pathology even when one no longer lives in the parental household. © 2011 Wiley Periodicals, Inc.

  12. Chemical evaluation of non-woven nylon separators used in Ni/Cd cells

    NASA Technical Reports Server (NTRS)

    Cuddihy, Edward F.

    1991-01-01

    The goals of the chemical analysis was to identify Gates 2505 degradation mechanism, to determine if Eagle-Pitcher 2505 supply suitable for flight, and to assess the 2538 as a candidate replacement, based on chemical findings. Chemical testing strongly indicates that the Gates 2505 stored in Florida had undergone partial chemical deterioration, believed caused by exposure to high humidities and temperature. A suspected role of zinc chloride as a separator concern during storage was not verified in this study (the effect of ZnCl2 on cell/electrode performance was not addressed). No substantial chemical issues or concerns with using EP 2505 as Ni/Cd battery separator for Mars Observer and TOPEX could be found. No chemical issues or concerns with using 2538 as Ni/Cd battery separator were found, in fact, chemical evidence suggest that 2538 may be a better material, as compared to 2505.

  13. Chemical evaluation of non-woven nylon separators used in Ni/Cd cells

    NASA Technical Reports Server (NTRS)

    Cuddihy, Edward F.

    1991-01-01

    The goals of the chemical analysis was to identify Gates 2505 degradation mechanism, to determine if Eagle-Pitcher 2505 supply suitable for flight, and to assess the 2538 as a candidate replacement, based on chemical findings. Chemical testing strongly indicates that the Gates 2505 stored in Florida had undergone partial chemical deterioration, believed caused by exposure to high humidities and temperature. A suspected role of zinc chloride as a separator concern during storage was not verified in this study (the effect of ZnCl2 on cell/electrode performance was not addressed). No substantial chemical issues or concerns with using EP 2505 as Ni/Cd battery separator for Mars Observer and TOPEX could be found. No chemical issues or concerns with using 2538 as Ni/Cd battery separator were found, in fact, chemical evidence suggest that 2538 may be a better material, as compared to 2505.

  14. Fast charge separation in a non-fullerene organic solar cell with a small driving force

    NASA Astrophysics Data System (ADS)

    Liu, Jing; Chen, Shangshang; Qian, Deping; Gautam, Bhoj; Yang, Guofang; Zhao, Jingbo; Bergqvist, Jonas; Zhang, Fengling; Ma, Wei; Ade, Harald; Inganäs, Olle; Gundogdu, Kenan; Gao, Feng; Yan, He

    2016-07-01

    Fast and efficient charge separation is essential to achieve high power conversion efficiency in organic solar cells (OSCs). In state-of-the-art OSCs, this is usually achieved by a significant driving force, defined as the offset between the bandgap (Egap) of the donor/acceptor materials and the energy of the charge transfer (CT) state (ECT), which is typically greater than 0.3 eV. The large driving force causes a relatively large voltage loss that hinders performance. Here, we report non-fullerene OSCs that exhibit ultrafast and efficient charge separation despite a negligible driving force, as ECT is nearly identical to Egap. Moreover, the small driving force is found to have minimal detrimental effects on charge transfer dynamics of the OSCs. We demonstrate a non-fullerene OSC with 9.5% efficiency and nearly 90% internal quantum efficiency despite a low voltage loss of 0.61 V. This creates a path towards highly efficient OSCs with a low voltage loss.

  15. Lanthanide fission product separation from the transuranics in the integral fast reactor fuel cycle demonstration

    SciTech Connect

    Goff, K.M.; Mariani, R.D.; Benedict, R.W.; Ackerman, J.P.

    1993-12-31

    The Integral Fast Reactor (IFR) is an innovative reactor concept being developed by Argonne National Laboratory. This reactor uses liquid-metal cooling and metallic fuel. Its spent fuel will be reprocessed using a pyrochemical method employing molten salts and liquid metals in an electrofining operation. The lanthanide fission products are a concern during reprocessing because of heating and fuel performance issues, so they must be removed periodically from the system to lessen their impact. The actinides must first be removed form the system before the lanthanides are removed as a waste stream. This operation requires a relatively good lanthanide-actinide separation to minimize both the amount of transuranic material lost in the waste stream and the amount of lanthanides collected when the actinides are first removed. A computer code, PYRO, that models these operations using thermodynamic and empirical data was developed at Argonne and has been used to model the removal of the lanthanides from the electrorefiner after a normal operating campaign. Data from this model are presented. The results demonstrate that greater that 75% of the lanthanides can be separated from the actinides at the end of the first fuel reprocessing campaign using only the electrorefiner vessel.

  16. Chromatographic separation of neodymium isotopes by using chemical exchange process.

    PubMed

    Ismail, I M; Ibrahim, M; Aly, H F; Nomura, M; Fujii, Y

    2011-05-20

    The neodymium isotope effects were investigated in Nd-malate ligand exchange system using the highly porous cation exchange resin SQS-6. The temperature of the chromatographic columns was kept constant at 50°C by temperature controlled water passed through the columns jackets. The separation coefficient of neodymium isotopes, ɛ's, was calculated from the isotopic ratios precisely measured by means of an ICP mass spectrometer equipped with nine collectors as ion detectors. The separation coefficient, ɛ×10(5), were calculated and found to be 1.4, 4.8, 5.4, 10.6, 16.8 and 20.2 for (143)Nd, (144)Nd, (145)Nd, (146)Nd, (148)Nd and (150)Nd, respectively.

  17. New Developments in Membrane-Based Chemical Separations

    DTIC Science & Technology

    2007-11-02

    triacetate polymeric membrane with a crown ether incorporated as a carrier. They studied the properties and stability of these membranes for metal ion...authors is consistent with the thermodynamic stability of the crown ether with these ions as well as the trend in transport of these ions in other liquid...pyridine from quinine . Figure 4, shows the UV absorbance spectra of the feed and the permeate solutions in a molecular- separation experiment. Such

  18. Chemical separations schemes for partitioning and transmutation systems.

    SciTech Connect

    Laidler, J.

    2002-05-02

    In the initial phase of the U.S. Accelerator Transmutation of Waste (ATW) program, a single-tier system was foreseen in which the transuranics and long-lived fission products (specifically, {sup 99}Tc and {sup 129}I) recovered from spent LWR oxide fuel would be sent directly to an accelerator-driven transmuter reactor [1]. Because the quantity of fuel to be processed annually was so large (almost 1,500 tons per year), an aqueous solvent extraction process was chosen for LWR fuel processing. Without the need to separate transuranics from one another for feed to the transmuter, it became appropriate to develop an advanced aqueous separations method that became known as UREX. The UREX process employs an added reagent (acetohydroxamic acid) that suppresses the extraction of plutonium and promotes the extraction of technetium together with uranium. Technetium can then be efficiently removed from the uranium; the recovered uranium, being highly decontaminated, can be disposed of as a low-level waste or stored in an unshielded facility for future use. Plutonium and the other transuranic elements, plus the remaining fission products, are directed to the liquid waste stream. This stream is calcined, converting the transuranics and fission products to their oxides. The resulting oxide powder, now representing only about four percent of the original mass of the spent fuel, is reduced to metallic form by means of a pyrometallurgical process. Subsequently, the transuranics are separated from the fission products in another pyro-metallurgical step involving molten salt electrorefining.

  19. Open Probe fast GC-MS - combining ambient sampling ultra-fast separation and in-vacuum ionization for real-time analysis.

    PubMed

    Keshet, U; Alon, T; Fialkov, A B; Amirav, A

    2017-07-01

    An Open Probe inlet was combined with a low thermal mass ultra-fast gas chromatograph (GC), in-vacuum electron ionization ion source and a mass spectrometer (MS) of GC-MS for obtaining real-time analysis with separation. The Open Probe enables ambient sampling via sample vaporization in an oven that is open to room air, and the ultra-fast GC provides ~30-s separation, while if no separation is required, it can act as a transfer line with 2 to 3-s sample transfer time. Sample analysis is as simple as touching the sample, pushing the sample holder into the Open Probe oven and obtaining the results in 30 s. The Open Probe fast GC was mounted on a standard Agilent 7890 GC that was coupled with an Agilent 5977A MS. Open Probe fast GC-MS provides real-time analysis combined with GC separation and library identification, and it uses the low-cost MS of GC-MS. The operation of Open Probe fast GC-MS is demonstrated in the 30-s separation and 50-s full analysis cycle time of tetrahydrocannabinol and cannabinol in Cannabis flower, sub 1-min analysis of trace trinitrotoluene transferred from a finger onto a glass surface, vitamin E in canola oil, sterols in olive oil, polybrominated flame retardants in plastics, alprazolam in Xanax drug pill and free fatty acids and cholesterol in human blood. The extrapolated limit of detection for pyrene is <1 fg, but the concentration is too high and the software noise calculation is untrustworthy. The broad range of compounds amenable for analysis is demonstrated in the analysis of reserpine. The possible use with alternate standard GC-MS and Open Probe fast GC-MS is demonstrated in the analysis of heroin in its street drug powder. The use of Open Probe with the fast GC acting as a transfer line is demonstrated in <10-s analysis without separation of ibuprofen and estradiol. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  20. Laser-machined components for microanalytical and chemical separation devices

    NASA Astrophysics Data System (ADS)

    Matson, Dean W.; Martin, Peter M.; Bennett, Wendy D.

    1998-10-01

    Excimer lasers have proven to be powerful tools for machining polymeric components used in microanalytical and microchemical separation devices. We report the use of laser machining methods to produce microfluidic channels and liquid/liquid contact membranes for a number of devices fabricated at our laboratory. Microchannels 50- to 100- micrometers -wide have been produced directly in bulk polycarbonate chips using a direct-write laser micromachining system. Wider microchannels have been produced by laser machining paths through sheets of polyimide film, then sandwiching the patterned piece between solid chips of polycarbonate stock. A comparison of direct-write and mask machining processes used to produce some of the microfluidic features is made. Examples of microanalytical devices produced using these methods are presented. Included are microdialysis units used to remove electrolytes from liquid samples and electrophoretic separation devices, both used for extremely low volume samples intended for mass spectrometric analysis. A multilayered microfluidic device designed to analyze low volume groundwater samples for hazardous metals and a fluidics motherboard are also described. Laser machining processes have also been explored for producing polymeric membranes suitable for use in liquid/liquid contactors used for removal of soluble hazardous components from waste streams. A step-and-repeat mask machining process was used to produce 0.5 X 8 cm membranes in 25- and 50-micrometers -thick polyimide. Pore diameters produced using this method were five and ten micrometers. The laser machined membranes were sputter coated with PTFE prior to use to improve fluid breakthrough characteristics.

  1. Optically heated ultra-fast-cycling gas chromatography module for separation of direct sampling and online monitoring applications.

    PubMed

    Fischer, Michael; Wohlfahrt, Sebastian; Varga, Janos; Matuschek, Georg; Saraji-Bozorgzad, Mohammad R; Denner, Thomas; Walte, Andreas; Zimmermann, Ralf

    2015-09-01

    This work describes an ultrafast-cycling gas chromatography module (fast-GC module) for direct-sampling gas chromatography/mass spectrometry (GC-MS). The sample can be introduced into the fast-GC module using a common GC injector or any GC × GC modulator. The new fast-GC module offers the possibility to conduct a complete temperature cycle within 30 s. Its thermal mass is minimized by using a specially developed home-built fused silica capillary column stack and a halogen lamp for heat generation, both placed inside a gold-coated quartz glass cylinder. A high airflow blower enables rapid cooling. The new device is highly flexible concerning the used separation column, the applied temperature program, and the integration into existing systems. An application of the fast-GC module is shown in this work by thermal analysis coupled to gas chromatography-mass spectrometry (TA-GC-MS). The continuously evolving gases of the TA are modulated by a liquid CO2 modulator. Because of the rapid cycling of the fast-GC module, it is possible to obtain the best separation while maintaining the online character of the TA. Restrictions in separation and retention time shifting, known from isothermal and normal ramped fast-GC systems, are overcome.

  2. Physico-chemical separation process of nanoparticles in cosmetic formulations

    NASA Astrophysics Data System (ADS)

    Retamal Marín, R. R.; Babick, F.; Stintz, M.

    2017-06-01

    Understanding the world of nanoparticles, especially their interactions with the environment, begins with their correct detection and successive quantification. To achieve this purpose, one needs to perform correctly developed standard operating procedures (SOPs). Furthermore, the study of nanoparticles frequently requires their characterisation in complex media (e.g. in cosmetic formulations). In this study, a set of sample preparation procedures for the detection and extraction of NMs in emulsion-based formulations is proposed and their performance for model and real-life products is discussed. A separation or extraction of lipid phases is achieved by means of organic solvents. The polarity of the lipid phases is decisive for selecting an optimum solvent. The use of the Hansen Solubility Parameters (HSP) may clearly support this decision.

  3. Template synthesized gold nanotube membranes for chemical separations and sensing.

    PubMed

    Wirtz, Marc; Yu, Shufang; Martin, Charles R

    2002-07-01

    We have developed a new class of synthetic membranes that consist of a porous polymeric support that contains an ensemble of gold nanotubes that span the thickness of the support membrane. The support is a commercially-available microporous polycarbonate filter with cylindrical nanoscopic pores. The gold nanotubes are prepared via electroless deposition of Au onto the pore walls; i.e., the pores acts as templates for the nanotubes. We have shown that by controlling the Au deposition time, Au nanotubes that have effective inside diameters of molecular dimensions (< 1 nm) can be prepared. These membranes are a new class of molecular sieves and can be used to separate both small molecules and proteins on the basis of molecular size. In addition, the use of these membranes in new approaches to electrochemical sensing is reviewed here. In this case, a current is forced through the nanotubes, and analyte molecules present in a contacting solution phase modulate the value of this transmembrane current.

  4. Starch materials as biocompatible supports and procedure for fast separation of macrophages.

    PubMed

    Sakeer, Khalil; Scorza, Tatiana; Romero, Hugo; Ispas-Szabo, Pompilia; Mateescu, Mircea Alexandru

    2017-05-01

    Different starch derivatives were evaluated as supports for attachment and recovery of macrophages (RAW 264.7 line). Gelatinized starch (G-St), acetate starch (Ac-St), carboxymethyl starch and aminoethyl starch were synthesized and characterized by FTIR, (1)H NMR, SEM and static water contact angle. These polymers are filmogenic and may coat well the holder devices used for macrophage adhesion. They also present a susceptibility to mild hydrolysis with alpha-amylase, liberating the adhered macrophages. Cell counts, percentage of dead cells and level of tumor necrosis factor (TNF-α) were used to evaluate the possible interaction between macrophages and starch films. The high percentage of cell adhesion (90-95% on G-St and on Ac-St) associated with enzymatic detachment of macrophages from film-coated inserts, resulted in higher viabilities compared with those obtained with cells detached by current methods scrapping or vortex. This novel method allows a fast macrophage separation, with excellent yields and high viability of recovered cells. Copyright © 2017 The Author(s). Published by Elsevier Ltd.. All rights reserved.

  5. Fast adaptive uniformisation of the chemical master equation.

    PubMed

    Mateescu, M; Wolf, V; Didier, F; Henzinger, T A

    2010-11-01

    Within systems biology there is an increasing interest in the stochastic behaviour of biochemical reaction networks. An appropriate stochastic description is provided by the chemical master equation, which represents a continuous-time Markov chain (CTMC). The uniformisation technique is an efficient method to compute probability distributions of a CTMC if the number of states is manageable. However, the size of a CTMC that represents a biochemical reaction network is usually far beyond what is feasible. In this study, the authors present an on-the-fly variant of uniformisation, where they improve the original algorithm at the cost of a small approximation error. By means of several examples, the authors show that their approach is particularly well-suited for biochemical reaction networks.

  6. REMOVAL OF ORGANIC CHEMICALS FROM WASTEWATER BY SURFACTANT SEPARATION

    SciTech Connect

    Unknown

    2002-01-01

    This research presents a novel hybrid process for removing organic chemicals from contaminated water. The process uses surfactant to carry out two unit operations (1) Extraction; (2) Foam flotation. In the first step, surfactant is used to extract most of the amounts of organic contaminants in the stream. In the second step, foam flotation is used to further reduce organic contaminants and recover surfactant from the stream. The process combines the advantages of extraction and foam flotation, which allows the process not only to handle a wide range of organic contaminants, but also to effectively treat a wide range of the concentration of organic contaminants in the stream and reduce it to a very low level. Surfactant regeneration can be done by conventional methods. This process is simple and low cost. The wastes are recoverable. The objective of this research is to develop an environmentally innocuous process for the wastewater or reclaimed water treatment with the ability to handle a wide range of organic contaminants, also to effectively treat a wide range of the concentration of organic contaminants in contaminated water and reduce it to a very low level, finally, provides simpler, less energy cost and economically-practical process design. Another purpose is to promote the environmental concern in minority students and encourage minority students to become more involved in environmental engineering research.

  7. Corrosion study in the chemical air separation (MOLTOX trademark ) process

    SciTech Connect

    Kang, Doohee; Wong, Kai P.; Archer, R.A.; Cassano, A.A.

    1988-12-01

    This report presents the results of studies aimed at solving the corrosion problems encountered during operation of the MOLTOX{trademark} pilot plant. These studies concentrated on the screening of commercial and developmental alloys under conditions simulating operation conditions in this high temperature molten salt process. Process economic studies were preformed in parallel with the laboratory testing to ensure that an economically feasible solution would be achieved. In addition to the above DOE co-funded studies, Air Products and Chemicals pursued proprietary studies aimed at developing a less corrosive salt mixture which would potentially allow the use of chemurgically available alloys such as stainless steels throughout the system. These studies will not be reported here; however, the results of corrosion tests in the new less corrosive salt mixtures are reported. Because our own studies on salt chemistry impacts heavily on the overall process and thereby has an influence on the experimental work conducted under this contract, some of the studies discussed here were impacted by our own proprietary data. Therefore, the reasons behind some of the experiments presented herein will not be explained because that information is proprietary to Air Products. 14 refs., 42 figs., 21 tabs.

  8. Separation and Quantification of Chemically Diverse Analytes in Neutron Irradiated Fissile Materials

    SciTech Connect

    Douglas, Matthew; Friese, Judah I.; Greenwood, Lawrence R.; Farmer, Orville T.; Thomas, Linda MP; Maiti, Tapas C.; Finn, Erin C.; Garofoli, Stephanie J.; Gassman, Paul L.; Huff, Morgan M.; Schulte, Shannon M.; Smith, Steven C.; Thomas, Kathie K.; Bachelor, Paula P.

    2009-10-01

    Quantitative measurement of fission and activation products resulting from neutron irradiation of fissile materials is of interest for applications in environmental monitoring, nuclear waste management, and national security. To overcome mass and spectral interferences, and the relative small quantities of some target analytes, an extensive series of chemical separations is necessary. Based on established separations processes involving co-precipitation, solvent extraction, and ion-exchange and extraction chromatography, we have been evaluating and optimizing a proposed sequence of separation steps to allow for the timely quantification of analytes of interest. For simplicity, much of the chemical separation development work has been performed using stable elements as surrogates for the radioactive material. We have recently evaluated the optimized procedures using an irradiated sample to examine the adequacy of separations for measurement of desired analytes by gamma spectrometry. Here we present the results of this evaluation and describe the radiochemical separations utilized.

  9. Audio video based fast fixed-point independent vector analysis for multisource separation in a room environment

    NASA Astrophysics Data System (ADS)

    Liang, Yanfeng; Naqvi, Syed Mohsen; Chambers, Jonathon A.

    2012-12-01

    Fast fixed-point independent vector analysis (FastIVA) is an improved independent vector analysis (IVA) method, which can achieve faster and better separation performance than original IVA. As an example IVA method, it is designed to solve the permutation problem in frequency domain independent component analysis by retaining the higher order statistical dependency between frequencies during learning. However, the performance of all IVA methods is limited due to the dimensionality of the parameter space commonly encountered in practical frequency-domain source separation problems and the spherical symmetry assumed with the source model. In this article, a particular permutation problem encountered in using the FastIVA algorithm is highlighted, namely the block permutation problem. Therefore a new audio video based fast fixed-point independent vector analysis algorithm is proposed, which uses video information to provide a smart initialization for the optimization problem. The method cannot only avoid the ill convergence resulting from the block permutation problem but also improve the separation performance even in noisy and high reverberant environments. Different multisource datasets including the real audio video corpus AV16.3 are used to verify the proposed method. For the evaluation of the separation performance on real room recordings, a new pitch based evaluation criterion is also proposed.

  10. GENERIC VERIFICATION PROTOCOL FOR CHEMICALLY-ENHANCED HIGH-RATE SEPARATION

    EPA Science Inventory

    Chemically enhanced high rate separation is a type of physical-chemical treatment technology well suited to the treatment of wet weather flow. The CEHRS technology offers a robust treatment alternative for application to combined sewer overflows, sanitary sewer overflow and exces...

  11. Fast infrared chemical imaging with a quantum cascade laser.

    PubMed

    Yeh, Kevin; Kenkel, Seth; Liu, Jui-Nung; Bhargava, Rohit

    2015-01-06

    Infrared (IR) spectroscopic imaging systems are a powerful tool for visualizing molecular microstructure of a sample without the need for dyes or stains. Table-top Fourier transform infrared (FT-IR) imaging spectrometers, the current established technology, can record broadband spectral data efficiently but requires scanning the entire spectrum with a low throughput source. The advent of high-intensity, broadly tunable quantum cascade lasers (QCL) has now accelerated IR imaging but results in a fundamentally different type of instrument and approach, namely, discrete frequency IR (DF-IR) spectral imaging. While the higher intensity of the source provides a higher signal per channel, the absence of spectral multiplexing also provides new opportunities and challenges. Here, we couple a rapidly tunable QCL with a high performance microscope equipped with a cooled focal plane array (FPA) detector. Our optical system is conceptualized to provide optimal performance based on recent theory and design rules for high-definition (HD) IR imaging. Multiple QCL units are multiplexed together to provide spectral coverage across the fingerprint region (776.9 to 1904.4 cm(-1)) in our DF-IR microscope capable of broad spectral coverage, wide-field detection, and diffraction-limited spectral imaging. We demonstrate that the spectral and spatial fidelity of this system is at least as good as the best FT-IR imaging systems. Our configuration provides a speedup for equivalent spectral signal-to-noise ratio (SNR) compared to the best spectral quality from a high-performance linear array system that has 10-fold larger pixels. Compared to the fastest available HD FT-IR imaging system, we demonstrate scanning of large tissue microarrays (TMA) in 3-orders of magnitude smaller time per essential spectral frequency. These advances offer new opportunities for high throughput IR chemical imaging, especially for the measurement of cells and tissues.

  12. Fast Infrared Chemical Imaging with a Quantum Cascade Laser

    PubMed Central

    2015-01-01

    Infrared (IR) spectroscopic imaging systems are a powerful tool for visualizing molecular microstructure of a sample without the need for dyes or stains. Table-top Fourier transform infrared (FT-IR) imaging spectrometers, the current established technology, can record broadband spectral data efficiently but requires scanning the entire spectrum with a low throughput source. The advent of high-intensity, broadly tunable quantum cascade lasers (QCL) has now accelerated IR imaging but results in a fundamentally different type of instrument and approach, namely, discrete frequency IR (DF-IR) spectral imaging. While the higher intensity of the source provides a higher signal per channel, the absence of spectral multiplexing also provides new opportunities and challenges. Here, we couple a rapidly tunable QCL with a high performance microscope equipped with a cooled focal plane array (FPA) detector. Our optical system is conceptualized to provide optimal performance based on recent theory and design rules for high-definition (HD) IR imaging. Multiple QCL units are multiplexed together to provide spectral coverage across the fingerprint region (776.9 to 1904.4 cm–1) in our DF-IR microscope capable of broad spectral coverage, wide-field detection, and diffraction-limited spectral imaging. We demonstrate that the spectral and spatial fidelity of this system is at least as good as the best FT-IR imaging systems. Our configuration provides a speedup for equivalent spectral signal-to-noise ratio (SNR) compared to the best spectral quality from a high-performance linear array system that has 10-fold larger pixels. Compared to the fastest available HD FT-IR imaging system, we demonstrate scanning of large tissue microarrays (TMA) in 3-orders of magnitude smaller time per essential spectral frequency. These advances offer new opportunities for high throughput IR chemical imaging, especially for the measurement of cells and tissues. PMID:25474546

  13. Fast and accurate predictions of covalent bonds in chemical space.

    PubMed

    Chang, K Y Samuel; Fias, Stijn; Ramakrishnan, Raghunathan; von Lilienfeld, O Anatole

    2016-05-07

    We assess the predictive accuracy of perturbation theory based estimates of changes in covalent bonding due to linear alchemical interpolations among molecules. We have investigated σ bonding to hydrogen, as well as σ and π bonding between main-group elements, occurring in small sets of iso-valence-electronic molecules with elements drawn from second to fourth rows in the p-block of the periodic table. Numerical evidence suggests that first order Taylor expansions of covalent bonding potentials can achieve high accuracy if (i) the alchemical interpolation is vertical (fixed geometry), (ii) it involves elements from the third and fourth rows of the periodic table, and (iii) an optimal reference geometry is used. This leads to near linear changes in the bonding potential, resulting in analytical predictions with chemical accuracy (∼1 kcal/mol). Second order estimates deteriorate the prediction. If initial and final molecules differ not only in composition but also in geometry, all estimates become substantially worse, with second order being slightly more accurate than first order. The independent particle approximation based second order perturbation theory performs poorly when compared to the coupled perturbed or finite difference approach. Taylor series expansions up to fourth order of the potential energy curve of highly symmetric systems indicate a finite radius of convergence, as illustrated for the alchemical stretching of H2 (+). Results are presented for (i) covalent bonds to hydrogen in 12 molecules with 8 valence electrons (CH4, NH3, H2O, HF, SiH4, PH3, H2S, HCl, GeH4, AsH3, H2Se, HBr); (ii) main-group single bonds in 9 molecules with 14 valence electrons (CH3F, CH3Cl, CH3Br, SiH3F, SiH3Cl, SiH3Br, GeH3F, GeH3Cl, GeH3Br); (iii) main-group double bonds in 9 molecules with 12 valence electrons (CH2O, CH2S, CH2Se, SiH2O, SiH2S, SiH2Se, GeH2O, GeH2S, GeH2Se); (iv) main-group triple bonds in 9 molecules with 10 valence electrons (HCN, HCP, HCAs, HSiN, HSi

  14. Fast and accurate predictions of covalent bonds in chemical space

    NASA Astrophysics Data System (ADS)

    Chang, K. Y. Samuel; Fias, Stijn; Ramakrishnan, Raghunathan; von Lilienfeld, O. Anatole

    2016-05-01

    We assess the predictive accuracy of perturbation theory based estimates of changes in covalent bonding due to linear alchemical interpolations among molecules. We have investigated σ bonding to hydrogen, as well as σ and π bonding between main-group elements, occurring in small sets of iso-valence-electronic molecules with elements drawn from second to fourth rows in the p-block of the periodic table. Numerical evidence suggests that first order Taylor expansions of covalent bonding potentials can achieve high accuracy if (i) the alchemical interpolation is vertical (fixed geometry), (ii) it involves elements from the third and fourth rows of the periodic table, and (iii) an optimal reference geometry is used. This leads to near linear changes in the bonding potential, resulting in analytical predictions with chemical accuracy (˜1 kcal/mol). Second order estimates deteriorate the prediction. If initial and final molecules differ not only in composition but also in geometry, all estimates become substantially worse, with second order being slightly more accurate than first order. The independent particle approximation based second order perturbation theory performs poorly when compared to the coupled perturbed or finite difference approach. Taylor series expansions up to fourth order of the potential energy curve of highly symmetric systems indicate a finite radius of convergence, as illustrated for the alchemical stretching of H 2+ . Results are presented for (i) covalent bonds to hydrogen in 12 molecules with 8 valence electrons (CH4, NH3, H2O, HF, SiH4, PH3, H2S, HCl, GeH4, AsH3, H2Se, HBr); (ii) main-group single bonds in 9 molecules with 14 valence electrons (CH3F, CH3Cl, CH3Br, SiH3F, SiH3Cl, SiH3Br, GeH3F, GeH3Cl, GeH3Br); (iii) main-group double bonds in 9 molecules with 12 valence electrons (CH2O, CH2S, CH2Se, SiH2O, SiH2S, SiH2Se, GeH2O, GeH2S, GeH2Se); (iv) main-group triple bonds in 9 molecules with 10 valence electrons (HCN, HCP, HCAs, HSiN, HSi

  15. Dual low thermal mass gas chromatography-mass spectrometry for fast dual-column separation of pesticides in complex sample.

    PubMed

    Sasamoto, Kikuo; Ochiai, Nobuo; Kanda, Hirooki

    2007-07-31

    A method is described for fast dual-column separation of pesticides by use of dual low thermal mass gas chromatography-mass spectrometry (dual LTM-GC-MS) with different temperature programming. The method can provide two total ion chromatograms with different separation on DB-5 and DB-17 in a single run, which allows improved identification capability, even with short analysis time (<17 min). Also simultaneous detection with MS and elemental selective detector, e.g. pulsed flame photometric detection (PFPD) was evaluated for fast dual-column separation of 82 pesticide mixtures including 27 phosphorus pesticides. Dual LTM-GC-MS/PFPD was applied to analysis of pesticides in a brewed green tea sample with dual stir bar sorptive extraction method (dual SBSE).

  16. Magnetically assisted chemical separation (MACS) process: Preparation and optimization of particles for removal of transuranic elements

    SciTech Connect

    Nunez, L.; Kaminski, M.; Bradley, C.; Buchholz, B.A.; Aase, S.B.; Tuazon, H.E.; Vandegrift, G.F.; Landsberger, S.

    1995-05-01

    The Magnetically Assisted Chemical Separation (MACS) process combines the selectivity afforded by solvent extractants with magnetic separation by using specially coated magnetic particles to provide a more efficient chemical separation of transuranic (TRU) elements, other radionuclides, and heavy metals from waste streams. Development of the MACS process uses chemical and physical techniques to elucidate the properties of particle coatings and the extent of radiolytic and chemical damage to the particles, and to optimize the stages of loading, extraction, and particle regeneration. This report describes the development of a separation process for TRU elements from various high-level waste streams. Polymer-coated ferromagnetic particles with an adsorbed layer of octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide (CMPO) diluted with tributyl phosphate (TBP) were evaluated for use in the separation and recovery of americium and plutonium from nuclear waste solutions. Due to their chemical nature, these extractants selectively complex americium and plutonium contaminants onto the particles, which can then be recovered from the solution by using a magnet. The partition coefficients were larger than those expected based on liquid[liquid extractions, and the extraction proceeded with rapid kinetics. Extractants were stripped from the particles with alcohols and 400-fold volume reductions were achieved. Particles were more sensitive to acid hydrolysis than to radiolysis. Overall, the optimization of a suitable NMCS particle for TRU separation was achieved under simulant conditions, and a MACS unit is currently being designed for an in-lab demonstration.

  17. Synthesis and characterization of a porous and hydrophobic cellulose-based composite for efficient and fast oil-water separation.

    PubMed

    Wang, Xiangyun; Xu, Shimei; Tan, Yun; Du, Juan; Wang, Jide

    2016-04-20

    Oily wastewater is generated in diverse industrial processes, and its treatment has become crucial due to increasing environmental concerns. Herein, silanized cellulose was prepared by sol-gel reaction between microcrystalline cellulose (MCC) and hexadecyltrimethoxysilane (HDTMS) using for oil-water separation. The silanized cellulose was characterized by Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), scanning electron microscopy (SEM) and thermal gravimetric analysis (TGA). A higher mass ratio of HDTMS to MCC made silanized cellulose become looser, and showed lower water absorbency. The silanized cellulose exhibited specific separation performance towards vegetable oil-water mixture (not for mineral oil-water mixture) with separation efficiency of 99.93%. Moreover, the separation was fast with a water flux of 4628.5Lm(-2)h(-1). The separation efficiency still remained at 99.77% even after recycling for 10 times.

  18. INVESTIGATION OF OPEN-PATH FTIR FOR FAST DEPLOYMENT EMERGENCY RESPONSE TO CHEMICAL THREATS AND ACCIDENTS.

    EPA Science Inventory

    We have performed a series of experiments to determine the tradeoff in detection sensitivity for implementing design features for an Open-Path Fourier Transform Infrared (OP-FTIR) chemical analyzer that would be quick to deploy under emergency response conditions. The fast-deplo...

  19. INVESTIGATION OF OPEN-PATH FTIR FOR FAST DEPLOYMENT EMERGENCY RESPONSE TO CHEMICAL THREATS AND ACCIDENTS.

    EPA Science Inventory

    We have performed a series of experiments to determine the tradeoff in detection sensitivity for implementing design features for an Open-Path Fourier Transform Infrared (OP-FTIR) chemical analyzer that would be quick to deploy under emergency response conditions. The fast-deplo...

  20. Characterization of Athabasca Asphaltenes Separated Physically and Chemically Using Small-Angle X-Ray Scattering

    NASA Astrophysics Data System (ADS)

    Amundarain Hurtado, Jesus Leonardo

    Athabasca asphaltenes were characterized using small-angle X-ray scattering (SAXS) with synchrotron radiation. Two methods were used to separate asphaltenes from Athabasca bitumen. Conventional chemical separation by precipitation with n-pentane, and physical separation realized by passing bitumen through a zirconia membrane with a 20 nm average pore size. The Athabasca permeates and chemically separated samples were dispersed in 1-methylnaphtalene and n-dodecane, with temperature and asphaltene concentration ranges of 50-310 °C and 1-8 wt. %, respectively. Two approaches were also taken in the analysis of the SAXS emissions. A model-independent approach provided radii of gyration and scattering coefficients. A model-dependent fit provided size distributions for asphaltenes aggregates assuming that they are dense and spherical. Physically and chemically separated asphaltenes showed significant differences in nominal size and structure, and their structural properties exhibited different temperature dependencies. The results challenge the merits of using chemically separated asphaltene properties as a basis for asphaltene property prediction in crude oil/bitumen.

  1. Characterization of Physically and Chemically Separated Athabasca Asphaltenes Using Small-Angle X-ray Scattering

    SciTech Connect

    Amundaraín Hurtado, Jesús Leonardo; Chodakowski, Martin; Long, Bingwen; Shaw, John M.

    2012-02-07

    Athabasca asphaltenes were characterized using small-angle X-ray scattering (SAXS). Two methods were used to separate asphaltenes from the Athabasca bitumen: namely, chemical separation by precipitation with n-pentane and physical separation by nanofiltration using a zirconia membrane with a 20 nm average pore size. The permeate and chemically separated samples were diluted in 1-methylnaphtalene and n-dodecane prior to SAXS measurements. The temperature and asphaltene concentration ranges were 50-310 C and 1-10.4 wt %, respectively. Model-independent analysis of SAXS data provided the radius of gyration and the scattering coefficients. Model-dependent fits provided size distributions for asphaltenes assuming that they are dense and spherical. Model-independent analysis for physically and chemically separated asphaltenes showed significant differences in nominal size and structure, and the temperature dependence of structural properties. The results challenge the merits of using chemically separated asphaltene properties as a basis for asphaltene property prediction in hydrocarbon resources. While the residuals for model-dependent fits are small, the results are inconsistent with the structural parameters obtained from model-independent analysis.

  2. Chemicals from Lignin by Catalytic Fast Pyrolysis, from Product Control to Reaction Mechanism.

    PubMed

    Ma, Zhiqiang; Custodis, Victoria; Hemberger, Patrick; Bährle, Christian; Vogel, Frédéric; Jeschk, Gunnar; van Bokhoven, Jeroen A

    2015-01-01

    Conversion of lignin into renewable and value-added chemicals by thermal processes, especially pyrolysis, receives great attention. The products may serve as feedstock for chemicals and fuels and contribute to the development of a sustainable society. However, the application of lignin conversion is limited by the low selectivity from lignin to the desired products. The opportunities for catalysis to selectively convert lignin into useful chemicals by catalytic fast pyrolysis and our efforts to elucidate the mechanism of lignin pyrolysis are discussed. Possible research directions will be identified.

  3. Chemical separation of Mo and W from terrestrial and extraterrestrial samples via anion exchange chromatography.

    PubMed

    Nagai, Yuichiro; Yokoyama, Tetsuya

    2014-05-20

    A new two-stage chemical separation method was established using an anion exchange resin, Eichrom 1 × 8, to separate Mo and W from four natural rock samples. First, the distribution coefficients of nine elements (Ti, Fe, Zn, Zr, Nb, Mo, Hf, Ta, and W) under various chemical conditions were determined using HCl, HNO3, and HF. On the basis of the obtained distribution coefficients, a new technique for the two-stage chemical separation of Mo and W, along with the group separation of Ti-Zr-Hf, was developed as follows: 0.4 M HCl-0.5 M HF (major elements), 9 M HCl-0.05 M HF (Ti-Zr-Hf), 9 M HCl-1 M HF (W), and 6 M HNO3-3 M HF (Mo). After the chemical procedure, Nb remaining in the W fraction was separated using 9 M HCl-3 M HF. On the other hand, Nb and Zn remaining in the Mo fraction were removed using 2 M HF and 6 M HCl-0.1 M HF. The performance of this technique was evaluated by separating these elements from two terrestrial and two extraterrestrial samples. The recovery yields for Mo, W, Zr, and Hf were nearly 100% for all of the examined samples. The total contents of the Zr, Hf, W, and Mo in the blanks used for the chemical separation procedure were 582, 9, 29, and 396 pg, respectively. Therefore, our new separation technique can be widely used in various fields of geochemistry, cosmochemistry, and environmental sciences and particularly for multi-isotope analysis of these elements from a single sample with significant internal isotope heterogeneities.

  4. Fabrication of zeolitic imidazolate framework-8-methacrylate monolith composite capillary columns for fast gas chromatographic separation of small molecules.

    PubMed

    Yusuf, Kareem; Badjah-Hadj-Ahmed, Ahmed Yacine; Aqel, Ahmad; ALOthman, Zeid Abdullah

    2015-08-07

    A composite zeolitic imidazolate framework-8 (ZIF-8) with a butyl methacrylate-co-ethylene dimethacrylate (BuMA-co-EDMA) monolithic capillary column (33.5cm long×250μm i.d.) was fabricated to enhance the separation efficiency of methacrylate monoliths toward small molecules using conventional low-pressure gas chromatography in comparison with a neat butyl methacrylate-co-ethylene dimethacrylate (BuMA-co-EDMA) monolithic capillary column (33.5cm long×250μm i.d.). The addition of 10mgmL(-1) ZIF-8 micro-particles increased the BET surface area of BuMA-co-EDMA by 3.4-fold. A fast separation of five linear alkanes in 36s with high resolution (Rs≥1.3) was performed using temperature program. Isothermal separation of the same sample also showed a high efficiency (3315platesm(-1) for octane) at 0.89min. Moreover, the column was able to separate skeletal isomers, such as iso-octane/octane and 2-methyl octane/nonane. In addition, an iso-butane/iso-butylene gas mixture was separated at ambient temperature. Comparison with an open tubular TR-5MS column (30m long×250μm i.d.) revealed the superiority of the composite column in separating the five-membered linear alkane mixture with 4-5 times increase in efficiency and a total separation time of 0.89min instead of 4.67min. A paint thinner sample was fully separated using the composite column in 2.43min with a good resolution (Rs≥0.89). The perfect combination between the polymeric monolith, with its high permeability, and ZIF-8, with its high surface area and flexible 0.34nm pore openings, led to the fast separation of small molecules with high efficiency and opened a new horizon in GC applications.

  5. PEAR: PEriodic And fixed Rank separation for fast fMRI.

    PubMed

    Weizman, Lior; Miller, Karla L; Eldar, Yonina C; Chiew, Mark

    2017-09-25

    In functional MRI (fMRI), faster acquisition via undersampling of data can improve the spatial-temporal resolution trade-off and increase statistical robustness through increased degrees-of-freedom. High quality reconstruction of fMRI data from undersampled measurements requires proper modeling of the data. We present an fMRI reconstruction approach based on modeling the fMRI signal as a sum of periodic and fixed rank components, for improved reconstruction from undersampled measurements. The proposed approach decomposes the fMRI signal into a component which a has fixed rank and a component consisting of a sum of periodic signals which is sparse in the temporal Fourier domain. Data reconstruction is performed by solving a constrained problem that enforces a fixed, moderate rank on one of the components, and a limited number of temporal frequencies on the other. Our approach is coined PEAR - PEriodic And fixed Rank separation for fast fMRI. Experimental results include purely synthetic simulation, a simulation with real timecourses and retrospective undersampling of a real fMRI dataset. Evaluation was performed both quantitatively and visually versus ground truth, comparing PEAR to two additional recent methods for fMRI reconstruction from undersampled measurements. Results demonstrate PEAR's improvement in estimating the timecourses and activation maps versus the methods compared against at acceleration ratios of R=8,10.66 (for simulated data) and R=6.66,10 (for real data). This paper presents PEAR, an undersampled fMRI reconstruction approach based on decomposing the fMRI signal to periodic and fixed rank components. PEAR results in reconstruction with higher fidelity than when using a fixed-rank based model or a conventional Lowrank+Sparse algorithm. We have shown that splitting the functional information between the components leads to better modeling of fMRI, over state-of-the-art methods. This article is protected by copyright. All rights reserved. This

  6. Application of Carbon Nanotubes in Chiral and Achiral Separations of Pharmaceuticals, Biologics and Chemicals

    PubMed Central

    Hemasa, Ayman L.; Maher, William A.; Ghanem, Ashraf

    2017-01-01

    Carbon nanotubes (CNTs) possess unique mechanical, physical, electrical and absorbability properties coupled with their nanometer dimensional scale that renders them extremely valuable for applications in many fields including nanotechnology and chromatographic separation. The aim of this review is to provide an updated overview about the applications of CNTs in chiral and achiral separations of pharmaceuticals, biologics and chemicals. Chiral single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs) have been directly applied for the enantioseparation of pharmaceuticals and biologicals by using them as stationary or pseudostationary phases in chromatographic separation techniques such as high-performance liquid chromatography (HPLC), capillary electrophoresis (CE) and gas chromatography (GC). Achiral MWCNTs have been used for achiral separations as efficient sorbent objects in solid-phase extraction techniques of biochemicals and drugs. Achiral SWCNTs have been applied in achiral separation of biological samples. Achiral SWCNTs and MWCNTs have been also successfully used to separate achiral mixtures of pharmaceuticals and chemicals. Collectively, functionalized CNTs have been indirectly applied in separation science by enhancing the enantioseparation of different chiral selectors whereas non-functionalized CNTs have shown efficient capabilities for chiral separations by using techniques such as encapsulation or immobilization in polymer monolithic columns. PMID:28718832

  7. Application of Carbon Nanotubes in Chiral and Achiral Separations of Pharmaceuticals, Biologics and Chemicals.

    PubMed

    Hemasa, Ayman L; Naumovski, Nenad; Maher, William A; Ghanem, Ashraf

    2017-07-18

    Carbon nanotubes (CNTs) possess unique mechanical, physical, electrical and absorbability properties coupled with their nanometer dimensional scale that renders them extremely valuable for applications in many fields including nanotechnology and chromatographic separation. The aim of this review is to provide an updated overview about the applications of CNTs in chiral and achiral separations of pharmaceuticals, biologics and chemicals. Chiral single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs) have been directly applied for the enantioseparation of pharmaceuticals and biologicals by using them as stationary or pseudostationary phases in chromatographic separation techniques such as high-performance liquid chromatography (HPLC), capillary electrophoresis (CE) and gas chromatography (GC). Achiral MWCNTs have been used for achiral separations as efficient sorbent objects in solid-phase extraction techniques of biochemicals and drugs. Achiral SWCNTs have been applied in achiral separation of biological samples. Achiral SWCNTs and MWCNTs have been also successfully used to separate achiral mixtures of pharmaceuticals and chemicals. Collectively, functionalized CNTs have been indirectly applied in separation science by enhancing the enantioseparation of different chiral selectors whereas non-functionalized CNTs have shown efficient capabilities for chiral separations by using techniques such as encapsulation or immobilization in polymer monolithic columns.

  8. Separating topographical and chemical analysis of nanostructure of polymer composite in low voltage SEM

    NASA Astrophysics Data System (ADS)

    Wan, Q.; Plenderleith, R. A.; Dapor, M.; Rimmer, S.; Claeyssens, F.; Rodenburg, C.

    2015-10-01

    The possibility of separating the topographical and chemical information in a polymer nano-composite using low-voltage SEM imaging is demonstrated, when images are acquired with a Concentric Backscattered (CBS) detector. This separation of chemical and topographical information is based on the different angular distribution of electron scattering which were calculated using a Monte Carlo simulation. The simulation based on angular restricted detection was applied to a semi-branched PNIPAM/PEGDA interpenetration network for which a linear relationship of topography SEM contrast and feature height data was observed.

  9. Chemical energetics of slow- and fast-twitch muscles of the mouse

    PubMed Central

    1982-01-01

    The energy utilization associated with contraction was measured in isolated slow- and fast-twitch muscles of the mouse at 20 degrees C. The extent of this utilization was estimated from either the extent of high-energy phosphate splitting occurring during contraction (the initial chemical change, delta approximately P init) or from the extent of recovery resynthesis calculated from the observed oxygen consumption and lactate production occurring during the recovery period (recovery chemical resynthesis, delta approximately P rec). For short tetani, the cost to maintain isometric tension in the fast-twitch extensor digitorum longus (EDL) was approximately threefold greater than that in the slow-twitch soleus. With prolonged stimulation, however, the energy cost in the EDL diminished so that after 12 s of stimulation, the energy cost in the EDL was only 50% greater than that of the soleus. For both the slow-twitch soleus and the fast-twitch EDL and for all tetanus durations (up to 15 s), the extent of the initial chemical change was identical with the amount of recovery chemical resynthesis, showing that a biochemical energy balance existed in these muscles. PMID:7061985

  10. Improved Coomassie Blue Dye-Based Fast Staining Protocol for Proteins Separated by SDS-PAGE

    PubMed Central

    Májek, Pavel; Riedelová-Reicheltová, Zuzana; Pecánková, Klára; Dyr, Jan E.

    2013-01-01

    The time required to visualize proteins using Coomassie Blue dye has been significantly reduced with the introduction of fast staining protocols based on staining with a Coomassie Blue dye solution at boiling temperatures. However, fast stainings suffer from high gel backgrounds, reducing the signal-to-noise ratio and limiting the number of detectable spots in the case of 2D SDS-PAGE. The aim of this work was to eliminate the high gel background, and thus improve fast staining protocols based on Coomassie Blue dye. We show that merely replacing water with a 4 mM EDTA washing solution at boiling temperatures, results in a transparent gel background within 50 to 60 minutes of destaining. Moreover, when a combination of imidazole-zinc reverse staining and Coomassie Blue-based fast staining is used the sensitivity is improved significantly; nanogram amounts of proteins can be detected using 1D SDS-PAGE, and about 30% to 60% more spots can be detected with 2D SDS-PAGE in plasma, platelet, and rat brain tissue samples. This work represents an optimized fast staining protocol with improved sensitivity, requiring between 60 to 75 minutes to complete protein visualization. PMID:24278455

  11. Improved coomassie blue dye-based fast staining protocol for proteins separated by SDS-PAGE.

    PubMed

    Májek, Pavel; Riedelová-Reicheltová, Zuzana; Pecánková, Klára; Dyr, Jan E

    2013-01-01

    The time required to visualize proteins using Coomassie Blue dye has been significantly reduced with the introduction of fast staining protocols based on staining with a Coomassie Blue dye solution at boiling temperatures. However, fast stainings suffer from high gel backgrounds, reducing the signal-to-noise ratio and limiting the number of detectable spots in the case of 2D SDS-PAGE. The aim of this work was to eliminate the high gel background, and thus improve fast staining protocols based on Coomassie Blue dye. We show that merely replacing water with a 4 mM EDTA washing solution at boiling temperatures, results in a transparent gel background within 50 to 60 minutes of destaining. Moreover, when a combination of imidazole-zinc reverse staining and Coomassie Blue-based fast staining is used the sensitivity is improved significantly; nanogram amounts of proteins can be detected using 1D SDS-PAGE, and about 30% to 60% more spots can be detected with 2D SDS-PAGE in plasma, platelet, and rat brain tissue samples. This work represents an optimized fast staining protocol with improved sensitivity, requiring between 60 to 75 minutes to complete protein visualization.

  12. Fast separation of DNA sequencing fragments in highly alkaline solutions of linear polyacrylamide using electrophoresis in bare silica capillaries.

    PubMed

    Klepárník, K; Malá, Z; Bocek, P

    2001-01-01

    An optimized procedure for the fast separation of DNA sequencing fragments in short bare fused-silica capillaries filled with highly alkaline solutions of replaceable linear polyacrylamide is presented. High denaturing abilities of the separation media at pH values over 12 are the main reason for their applications in analyses of ssDNA fragments. Moreover, the alkaline solutions of polyacrylamide provide other advantageous properties: three times higher electrophoretic mobility of ssDNA fragments in comparison to those in urea, negligibly low electroosmotic flow in uncoated capillaries, and an adequate stability to a fast alkaline hydrolysis. The separation power of this procedure is enhanced strongly by using monocarboxy poly(ethylene glycol), a terminator for transient isotachophoresis, which eliminates the electromigration dispersion. A high separation efficiency of our system enables to reduce analysis time to several minutes by decreasing the effective lengths of capillaries to 7 cm. A special sample introduction by diffusion is successfully applied. The experimental results demonstrate a potential of the alkaline electrolytes for an implementation in diagnostic sequencing practice.

  13. Iron aluminides and nickel aluminides as materials for chemical air separation

    DOEpatents

    Kang, Doohee

    1991-01-01

    The present invention is directed to a chemical air separation process using a molten salt solution of alkali metal nitrate and nitrite wherein the materials of construction of the containment for the process are chosen from intermetallic alloys of nickel and/or iron aluminide wherein the aluminum content is 28 atomic percent or greater to impart enhanced corrosion resistance.

  14. Iron aluminides and nickel aluminides as materials for chemical air separation

    DOEpatents

    Kang, D.

    1991-01-29

    The present invention is directed to a chemical air separation process using a molten salt solution of alkali metal nitrate and nitrite wherein the materials of construction of the containment for the process are chosen from intermetallic alloys of nickel and/or iron aluminide wherein the aluminum content is 28 atomic percent or greater to impart enhanced corrosion resistance.

  15. Chemical separation of primordial Li+ during structure formation caused by nanogauss magnetic field

    NASA Astrophysics Data System (ADS)

    Kusakabe, Motohiko; Kawasaki, Masahiro

    2015-01-01

    During the structure formation, charged and neutral chemical species may have separated from each other at the gravitational contraction in primordial magnetic field (PMF). A gradient in the PMF in a direction perpendicular to the field direction leads to the Lorentz force on the charged species. Resultantly, an ambipolar diffusion occurs, and charged species can move differently from neutral species, which collapses gravitationally during the structure formation. We assume a gravitational contraction of neutral matter in a spherically symmetric structure, and calculate fluid motions of charged and neutral species. It is shown that the charged fluid, i.e. proton, electron, and 7Li+, can significantly decouple from the neutral fluid depending on the field amplitude. The charged species can, therefore, escape from the gravitational collapse. We take the structure mass, the epoch of the gravitational collapse, and the comoving Lorenz force as parameters. We then identify a parameter region for an effective chemical separation. This type of chemical separation can reduce the abundance ratio of Li/H in early structures because of inefficient contraction of 7Li+ ion. Therefore, it may explain Li abundances of Galactic metal-poor stars which are smaller than the prediction in standard big bang nucleosynthesis model. Amplitudes of the PMFs are controlled by a magnetohydrodynamic turbulence. The upper limit on the field amplitude derived from the turbulence effect is close to the value required for the chemical separation.

  16. SIML: a fast SIMD algorithm for calculating LINGO chemical similarities on GPUs and CPUs.

    PubMed

    Haque, Imran S; Pande, Vijay S; Walters, W Patrick

    2010-04-26

    LINGOs are a holographic measure of chemical similarity based on text comparison of SMILES strings. We present a new algorithm for calculating LINGO similarities amenable to parallelization on SIMD architectures (such as GPUs and vector units of modern CPUs). We show that it is nearly 3x as fast as existing algorithms on a CPU, and over 80x faster than existing methods when run on a GPU.

  17. Fast gradient separation by very high pressure liquid chromatography: reproducibility of analytical data and influence of delay between successive runs.

    PubMed

    Stankovicha, Joseph J; Gritti, Fabrice; Beaver, Lois Ann; Stevensona, Paul G; Guiochon, Georges

    2013-11-29

    Five methods were used to implement fast gradient separations: constant flow rate, constant column-wall temperature, constant inlet pressure at moderate and high pressures (controlled by a pressure controller),and programmed flow constant pressure. For programmed flow constant pressure, the flow rates and gradient compositions are controlled using input into the method instead of the pressure controller. Minor fluctuations in the inlet pressure do not affect the mobile phase flow rate in programmed flow. There producibilities of the retention times, the response factors, and the eluted band width of six successive separations of the same sample (9 components) were measured with different equilibration times between 0 and 15 min. The influence of the length of the equilibration time on these reproducibilities is discussed. The results show that the average column temperature may increase from one separation to the next and that this contributes to fluctuation of the results.

  18. Radiochemical Separation of Group 5 Elements. Model Experiments for Investigation of Dubnium Chemical Behaviour

    SciTech Connect

    Tereshatov, E. E.; Bozhikov, G. A.; Aksenov, N. V.; Starodub, G. Ya.; Vostokin, G. K.; Shishkin, S. V.; Dmitriev, S. N.; Bruchertseifer, H.; Gaeggeler, H. W.

    2007-05-22

    Chemical behaviour of group 5 elements in the aqueous hydrofluoric acid solutions was studied. The radiochemical method for the cation exchange separation of Nb (Pa) and Ta from Zr, Hf and lanthanides is presented. The developed scheme allows excluding of the presence of SF heavy actinides in fractions of separated elements. On the basis of the data of the present work, it is possible to suggest the following order of the stability of the fluoride complexes of group 4 and 5 elements: Nb {approx_equal} Pa > Zr > Hf > Ta. The order of the complex formation is in agreement with theoretical predictions. This analytical procedure can be used in future heavy nuclei synthesis experiments for the separation of dubnium (Db) from other reactions products and for its chemical identification.

  19. Hierarchically structured photonic crystals for integrated chemical separation and colorimetric detection.

    PubMed

    Fu, Qianqian; Zhu, Biting; Ge, Jianping

    2017-02-16

    A SiO2 colloidal photonic crystal film with a hierarchical porous structure is fabricated to demonstrate an integrated separation and colorimetric detection of chemical species for the first time. This new photonic crystal based thin layer chromatography process requires no dyeing, developing and UV irradiation compared to the traditional TLC. The assembling of mesoporous SiO2 particles via a supersaturation-induced-precipitation process forms uniform and hierarchical photonic crystals with micron-scale cracks and mesopores, which accelerate the diffusion of developers and intensify the adsorption/desorption between the analytes and silica for efficient separation. Meanwhile, the chemical substances infiltrated to the voids of photonic crystals cause an increase of the refractive index and a large contrast of structural colors towards the unloaded part, so that the sample spots can be directly recognized with the naked eye before and after separation.

  20. Chemical ordering suppresses large-scale electronic phase separation in doped manganites

    NASA Astrophysics Data System (ADS)

    Zhu, Yinyan; Du, Kai; Niu, Jiebin; Lin, Lingfang; Wei, Wengang; Liu, Hao; Lin, Hanxuan; Zhang, Kai; Yang, Tieying; Kou, Yunfang; Shao, Jian; Gao, Xingyu; Xu, Xiaoshan; Wu, Xiaoshan; Dong, Shuai; Yin, Lifeng; Shen, Jian

    2016-04-01

    For strongly correlated oxides, it has been a long-standing issue regarding the role of the chemical ordering of the dopants on the physical properties. Here, using unit cell by unit cell superlattice growth technique, we determine the role of chemical ordering of the Pr dopant in a colossal magnetoresistant (La1-yPry)1-xCaxMnO3 (LPCMO) system, which has been well known for its large length-scale electronic phase separation phenomena. Our experimental results show that the chemical ordering of Pr leads to marked reduction of the length scale of electronic phase separations. Moreover, compared with the conventional Pr-disordered LPCMO system, the Pr-ordered LPCMO system has a metal-insulator transition that is ~100 K higher because the ferromagnetic metallic phase is more dominant at all temperatures below the Curie temperature.

  1. Chemical ordering suppresses large-scale electronic phase separation in doped manganites

    PubMed Central

    Zhu, Yinyan; Du, Kai; Niu, Jiebin; Lin, Lingfang; Wei, Wengang; Liu, Hao; Lin, Hanxuan; Zhang, Kai; Yang, Tieying; Kou, Yunfang; Shao, Jian; Gao, Xingyu; Xu, Xiaoshan; Wu, Xiaoshan; Dong, Shuai; Yin, Lifeng; Shen, Jian

    2016-01-01

    For strongly correlated oxides, it has been a long-standing issue regarding the role of the chemical ordering of the dopants on the physical properties. Here, using unit cell by unit cell superlattice growth technique, we determine the role of chemical ordering of the Pr dopant in a colossal magnetoresistant (La1−yPry)1−xCaxMnO3 (LPCMO) system, which has been well known for its large length-scale electronic phase separation phenomena. Our experimental results show that the chemical ordering of Pr leads to marked reduction of the length scale of electronic phase separations. Moreover, compared with the conventional Pr-disordered LPCMO system, the Pr-ordered LPCMO system has a metal–insulator transition that is ∼100 K higher because the ferromagnetic metallic phase is more dominant at all temperatures below the Curie temperature. PMID:27053071

  2. Discussion of the Separation of Chemical and Relaxational Kinetics of Chemically Activated Intermediates in Master Equation Simulations.

    PubMed

    Döntgen, Malte; Leonhard, Kai

    2017-03-02

    Chemical activation of intermediates, such as hydrogen abstraction products, is emerging as a basis for a fully new reaction type: hot β-scission. While for thermally equilibrated intermediates chemical kinetics are typically orders of magnitude slower than relaxational kinetics, chemically activated intermediates raise the issue of inseparable chemical and relaxational kinetics. Here, this separation problem is discussed in the framework of master equation simulations, proposing three cases often encountered in chemistry: insignificant chemical activation, predominant chemical activation, and the transition between these two limits. These three cases are illustrated via three example systems: methoxy (CH3Ȯ), diazenyl (ṄNH), and methyl formate radicals (CH3OĊO). For diazenyl, it is found that hot β-scission fully replaces the sequence of hydrogen abstraction and β-scission of thermally equilibrated diazenyl. Building on the example systems, a rule of thumb is proposed that can be used to intuitively judge the significance of hot β-scission: if the reverse hydrogen abstraction barrier height is comparable to or larger than the β-scission barrier height, hot β-scission should be considered in more detail.

  3. Exploiting Diffusion Barrier and Chemical Affinity of Metal-Organic Frameworks for Efficient Hydrogen Isotope Separation.

    PubMed

    Kim, Jin Yeong; Balderas-Xicohténcatl, Rafael; Zhang, Linda; Kang, Sung Gu; Hirscher, Michael; Oh, Hyunchul; Moon, Hoi Ri

    2017-09-29

    Deuterium plays a pivotal role in industrial and scientific research, and is irreplaceable for various applications such as isotope tracing, neutron moderation, and neutron scattering. In addition, deuterium is a key energy source for fusion reactions. Thus, the isolation of deuterium from a physico-chemically almost identical isotopic mixture is a seminal challenge in modern separation technology. However, current commercial approaches suffer from extremely low separation efficiency (i.e., cryogenic distillation, selectivity of 1.5 at 24 K), requiring a cost-effective and large-scale separation technique. Herein, we report a highly effective hydrogen isotope separation system based on metal-organic frameworks (MOFs) having the highest reported separation factor as high as ∼26 at 77 K by maximizing synergistic effects of the chemical affinity quantum sieving (CAQS) and kinetic quantum sieving (KQS). For this purpose, the MOF-74 system having high hydrogen adsorption enthalpies due to strong open metal sites is chosen for CAQS functionality, and imidazole molecules (IM) are employed to the system for enhancing the KQS effect. To the best of our knowledge, this work is not only the first attempt to implement two quantum sieving effects, KQS and CAQS, in one system, but also provides experimental validation of the utility of this system for practical industrial usage by isolating high-purity D2 through direct selective separation studies using 1:1 D2/H2 mixtures.

  4. Examination of lignocellulosic fibers for chemical, thermal, and separations properties: Addressing thermo-chemical stability issues

    NASA Astrophysics Data System (ADS)

    Johnson, Carter David

    Natural fiber-plastic composites incorporate thermoplastic resins with fibrous plant-based materials, sometimes referred to as biomass. Pine wood mill waste has been the traditional source of natural fibrous feedstock. In anticipation of a waste wood shortage other fibrous biomass materials are being investigated as potential supplements or replacements. Perennial grasses, agricultural wastes, and woody biomass are among the potential source materials. As these feedstocks share the basic chemical building blocks; cellulose, hemicellulose, and lignin, they are collectively called lignocellulosics. Initial investigation of a number of lignocellulosic materials, applied to fiber-plastic composite processing and material testing, resulted in varied results, particularly response to processing conditions. Less thermally stable lignocellulosic filler materials were physically changed in observable ways: darkened color and odor. The effect of biomass materials' chemical composition on thermal stability was investigated an experiment involving determination of the chemical composition of seven lignocellulosics: corn hull, corn stover, fescue, pine, soy hull, soy stover, and switchgrass. These materials were also evaluated for thermal stability by thermogravimetric analysis. The results of these determinations indicated that both chemical composition and pretreatment of lignocellulosic materials can have an effect on their thermal stability. A second study was performed to investigate what effect different pretreatment systems have on hybrid poplar, pine, and switchgrass. These materials were treated with hot water, ethanol, and a 2:1 benzene/ethanol mixture for extraction times of: 1, 3, 6, 12, and 24 hours. This factorial experiment demonstrated that both extraction time and medium have an effect on the weight percent of extractives removed from all three material types. The extracted materials generated in the above study were then subjected to an evaluation of thermal

  5. Circular Halbach array for fast magnetic separation of hyaluronan-expressing tissue progenitors.

    PubMed

    Joshi, Powrnima; Williams, P Stephen; Moore, Lee R; Caralla, Tonya; Boehm, Cynthia; Muschler, George; Zborowski, Maciej

    2015-10-06

    Connective tissue progenitors (CTPs) are a promising therapeutic agent for bone repair. Hyaluronan, a high molecular mass glycosaminoglycan, has been shown by us to be a suitable biomarker for magnetic separation of CTPs from bone marrow aspirates in a canine model. For the therapy to be applicable in humans, the magnetic separation process requires scale-up without compromising the viability of the cells. The scaled-up device presented here utilizes a circular Halbach array of diametrically magnetized, cylindrical permanent magnets. This allows precise control of the magnetic field gradient driving the separation, with theoretical analysis favoring a hexapole field. The separation vessel has the external diameter of a 50 mL conical centrifuge tube and has an internal rod that excludes cells from around the central axis. The magnet and separation vessel (collectively dubbed the hexapole magnet separator or HMS) was tested on four human and four canine bone marrow aspirates. Each CTP-enriched cell product was tested using cell culture bioassays as surrogates for in vivo engraftment quality. The magnetically enriched cell fractions showed statistically significant, superior performance compared to the unenriched and depleted cell fractions for all parameters tested, including CTP prevalence (CTPs per 10(6) nucleated cells), proliferation by colony forming unit (CFU) counts, and differentiation by staining for the presence of osteogenic and chondrogenic cells. The simplicity and speed of the HMS operation could allow both CTP isolation and engraftment during a single surgical procedure, minimizing trauma to patients and lowering cost to health care providers.

  6. Separation of selected stable isotopes by liquid-phase thermal diffusion and by chemical exchange

    NASA Astrophysics Data System (ADS)

    Rutherford, W. M.; Jepson, B. E.; Michaels, E. D.

    Useful applications of enriched stable nuclides are unduly restricted by high cost and limited availability. Recent research on liquid phase thermal diffusion (LTD) has resulted in practical processes for separating S34, CL35, and CL37 in significant quantities (100 to 500 g/yr) at costs much lower than those associated with the electromagnetic (Calutron) process. The separation of the isotopes of bromine by LTD is now in progress and BR79 is being produced in relatively simple equivalent at a rate on the order of 0.5 g/day. The results of recent measurements show that the isotopes of Zn can be separated by LTD of zinc alkyls. The isotopes of calcium can be separated by LTD and by chemical exchange. The LTD process is based on the use of aqueous Ca(NO3)2 as a working fluid.

  7. Separation and determination of the macrolide antibiotics (erythromycin, spiramycin and oleandomycin) by capillary electrophoresis coupled with fast reductive voltammetric detection.

    PubMed

    Zhou, J; Chen, Y; Cassidy, R

    2000-04-01

    Separation and determination of erythromycin, spiramycin and oleandomycin by capillary zone electrophoresis coupled with fast reductive voltammetric detection using an Hg-film electrode was investigated in a simple aqueous phosphate buffer system. The influence of pH, concentration of phosphate, applied voltage, capillary length and dimension on the separation was examined and optimized. The entire separation of erythromycin, spiramycin, and oleandomycin was achieved in a 0.2 mol/L phosphate buffer system without organic modifiers. The electrochemical detection parameters, such as electrode material, applied waveform, scan rate, preconcentration potentials and preconcentration times, were investigated and discussed. This approach provides high separation efficiency and high sensitivity for all compounds, with detection limits (3 x peak-to-peak baseline noise) of 7.5 x 10(-8) mol/L for spiramycin, and 3 x 10(-7) mol/ L for erythromycin and oleandomycin. The calibration plot of peak areas for each separated peak vs. concentration of analyte was found to be linear over three orders of magnitude.

  8. Integrated supply chain design for commodity chemicals production via woody biomass fast pyrolysis and upgrading.

    PubMed

    Zhang, Yanan; Hu, Guiping; Brown, Robert C

    2014-04-01

    This study investigates the optimal supply chain design for commodity chemicals (BTX, etc.) production via woody biomass fast pyrolysis and hydroprocessing pathway. The locations and capacities of distributed preprocessing hubs and integrated biorefinery facilities are optimized with a mixed integer linear programming model. In this integrated supply chain system, decisions on the biomass chipping methods (roadside chipping vs. facility chipping) are also explored. The economic objective of the supply chain model is to maximize the profit for a 20-year chemicals production system. In addition to the economic objective, the model also incorporates an environmental objective of minimizing life cycle greenhouse gas emissions, analyzing the trade-off between the economic and environmental considerations. The capital cost, operating cost, and revenues for the biorefinery facilities are based on techno-economic analysis, and the proposed approach is illustrated through a case study of Minnesota, with Minneapolis-St. Paul serving as the chemicals distribution hub. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Linear Methods for Efficient and Fast Separation of Two Sources Recorded with a Single Microphone.

    PubMed

    Bhargava, Saurabh; Blättler, Florian; Kollmorgen, Sepp; Liu, Shih-Chii; Hahnloser, Richard H R

    2015-10-01

    This letter addresses the problem of separating two speakers from a single microphone recording. Three linear methods are tested for source separation, all of which operate directly on sound spectrograms: (1) eigenmode analysis of covariance difference to identify spectro-temporal features associated with large variance for one source and small variance for the other source; (2) maximum likelihood demixing in which the mixture is modeled as the sum of two gaussian signals and maximum likelihood is used to identify the most likely sources; and (3) suppression-regression, in which autoregressive models are trained to reproduce one source and suppress the other. These linear approaches are tested on the problem of separating a known male from a known female speaker. The performance of these algorithms is assessed in terms of the residual error of estimated source spectrograms, waveform signal-to-noise ratio, and perceptual evaluation of speech quality scores. This work shows that the algorithms compare favorably to nonlinear approaches such as nonnegative sparse coding in terms of simplicity, performance, and suitability for real-time implementations, and they provide benchmark solutions for monaural source separation tasks.

  10. Three-dimensional Nanowire Structures for Ultra-Fast Separation of DNA, Protein and RNA Molecules

    PubMed Central

    Rahong, Sakon; Yasui, Takao; Yanagida, Takeshi; Nagashima, Kazuki; Kanai, Masaki; Meng, Gang; He, Yong; Zhuge, Fuwei; Kaji, Noritada; Kawai, Tomoji; Baba, Yoshinobu

    2015-01-01

    Separation and analysis of biomolecules represent crucial processes for biological and biomedical engineering development; however, separation resolution and speed for biomolecules analysis still require improvements. To achieve separation and analysis of biomolecules in a short time, the use of highly-ordered nanostructures fabricated by top-down or bottom-up approaches have been proposed. Here, we reported on the use of three-dimensional (3D) nanowire structures embedded in microchannels fabricated by a bottom-up approach for ultrafast separation of small biomolecules, such as DNA, protein, and RNA molecules. The 3D nanowire structures could analyze a mixture of DNA molecules (50–1000 bp) within 50 s, a mixture of protein molecules (20–340 kDa) within 5 s, and a mixture of RNA molecules (100–1000 bases) within 25 s. And, we could observe the electrophoretic mobility difference of biomolecules as a function of molecular size in the 3D nanowire structures. Since the present methodology allows users to control the pore size of sieving materials by varying the number of cycles for nanowire growth, the 3D nanowire structures have a good potential for use as alternatives for other sieving materials. PMID:26073192

  11. Monodisperse sphere-on-sphere silica particles for fast HPLC separation of peptides and proteins.

    PubMed

    Hayes, Richard; Myers, Peter; Edge, Tony; Zhang, Haifei

    2014-11-21

    Monodisperse sphere-on-sphere (SOS) silica particles are produced in a one-pot reaction, removing the need for time-consuming preparation and classification steps. Analysis of peptides and proteins using HPLC displays faster separation at lower operating pressure than commercially available fused core materials.

  12. Spatial pattern separation of chemicals and frequency-independent components by terahertz spectroscopic imaging

    NASA Astrophysics Data System (ADS)

    Watanabe, Yuuki; Kawase, Kodo; Ikari, Tomofumi; Ito, Hiromasa; Ishikawa, Youichi; Minamide, Hiroaki

    2003-10-01

    We separated the component spatial patterns of frequency-dependent absorption in chemicals and frequency-independent components such as plastic, paper, and measurement noise in terahertz (THz) spectroscopic images, using known spectral curves. Our measurement system, which uses a widely tunable coherent THz-wave parametric oscillator source, can image at a specific frequency in the range 1-2 THz. The component patterns of chemicals can easily be extracted by use of the frequency-independent components. This method could be successfully used for nondestructive inspection for the detection of illegal drugs and devices of bioterrorism concealed, e.g., inside mail and packages.

  13. Simple and fast fabrication of superhydrophobic metal wire mesh for efficiently gravity-driven oil/water separation.

    PubMed

    Song, Botao

    2016-12-15

    Superhydrophobic metal wire mesh (SMWM) has frequently been applied for the selective and efficient separation of oil/water mixture due to its porous structure and special wettability. However, current methods for the modification of metal wire mesh to be superhydrophobic suffered from problems with respect to complex experimental procedures or time-consuming process. In this study, a very simple, time-saving and single-step electrospray method was proposed to fabricate SMWM and the whole procedure required about only 2min. The morphology, surface composition and wettability of the SMWM were all evaluated, and the oil/water separation ability was further investigated. In addition, a commercial available sponge covered with SMWM was fabricated as an oil adsorbent for the purpose of oil recovery. This study demonstrated a convenient and fast method to modify the metal wire mesh to be superhydrophobic and such simple method might find practical applications in the large-scale removal of oils.

  14. Microstructure analysis for chemical interaction between cesium and SUS 316 steel in fast breeder reactor application

    SciTech Connect

    Sasaki, K.; Fukumoto, K. I.; Oshima, T.; Tanigaki, T.; Masayoshi, U.

    2012-07-01

    In this study the corrosion products on a surface after cesium corrosion examination at 650 deg. C for 100 hrs were characterized by TEM observation around the corroded area on the surface in order to understand the corrosion mechanism of cesium fission product for cladding materials in fast reactor. The experimental results suggest the main corrosion mechanism occurred in the process of the separation of cesium chromate and metal (Fe, Ni). The main reaction of corrosion process was considered to be equation, 2Cs + 7/2 O{sub 2} + 2Cr {yields} Cs{sub 2}Cr{sub 2}O{sub 7}(L). (authors)

  15. Molecular dynamics study of phase separation in fluids with chemical reactions.

    PubMed

    Krishnan, Raishma; Puri, Sanjay

    2015-11-01

    We present results from the first d=3 molecular dynamics (MD) study of phase-separating fluid mixtures (AB) with simple chemical reactions (A⇌B). We focus on the case where the rates of forward and backward reactions are equal. The chemical reactions compete with segregation, and the coarsening system settles into a steady-state mesoscale morphology. However, hydrodynamic effects destroy the lamellar morphology which characterizes the diffusive case. This has important consequences for the phase-separating structure, which we study in detail. In particular, the equilibrium length scale (ℓ(eq)) in the steady state suggests a power-law dependence on the reaction rate ε:ℓ(eq)∼ε(-θ) with θ≃1.0.

  16. Spatiotemporal control of apical and basal living subcellular chemical environments through vertical phase separation.

    PubMed

    Yang, Jui-Ming; Didier, Jonathan E; Cassino, Theresa R; LeDuc, Philip R

    2009-09-01

    Molecular distribution within living cells is organized through multiscaled compartmentalization that enables specialized processes to occur with high efficiency. The ability to control the chemical environment at a subcellular level is limited due to deficient positional control over the aqueous stimulant. Here, a multilayered microfluidic system built from polydimethylsiloxane to separate chemical stimulants over single living cells vertically through aqueous-phase separation under laminar flow is demonstrated. Cells are cultured on top of single micrometer-scale channels inside a larger channel, allowing labeling of the apical domain of single cells through the main channel with simultaneous and distinct labeling of the basal domain via the lower microchannels. The system is transparent, which allows the use of optical microscopy to investigate the spatiotemporal response of labeled components. By employing this technique, the examination of localized subcellular domain responses in polarization, lipid bilayer mobility, and apical-to-basal signal transduction can be explored.

  17. A SIGNATURE OF CHEMICAL SEPARATION IN THE COOLING LIGHT CURVES OF TRANSIENTLY ACCRETING NEUTRON STARS

    SciTech Connect

    Medin, Zach; Cumming, Andrew E-mail: cumming@physics.mcgill.ca

    2014-03-01

    We show that convection driven by chemical separation can significantly affect the cooling light curves of accreting neutron stars after they go into quiescence. We calculate the thermal relaxation of the neutron star ocean and crust including the thermal and compositional fluxes due to convection. After the inward propagating cooling wave reaches the base of the neutron star ocean, the ocean begins to freeze, driving chemical separation. The resulting convection transports heat inward, giving much faster cooling of the surface layers than found assuming the ocean cools passively. The light curves including convection show a rapid drop in temperature weeks after outburst. Identifying this signature in observed cooling curves would constrain the temperature and composition of the ocean as well as offer a real time probe of the freezing of a classical multicomponent plasma.

  18. Adsorptive removal and separation of chemicals with metal-organic frameworks: Contribution of π-complexation.

    PubMed

    Khan, Nazmul Abedin; Jhung, Sung Hwa

    2017-03-05

    Efficient removal and separation of chemicals from the environment has become a vital issue from a biological and environmental point of view. Currently, adsorptive removal/separation is one of the most promising approaches for cleaning purposes. Selective adsorption/removal of various sulfur- and nitrogen-containing compounds, olefins, and π-electron-rich gases via π-complex formation between an adsorbent and adsorbate molecules is very competitive. Porous metal-organic framework (MOF) materials are very promising in the adsorption/separation of various liquids and gases owing to their distinct characteristics. This review summarizes the literature on the adsorptive removal/separation of various π-electron-rich compounds mainly from fuel and gases using MOF materials containing metal ions that are active for π-complexation. Details of the π-complexation, including mechanism, pros/cons, applications, and efficient ways to form the complex, are discussed systematically. For in-depth understanding, molecular orbital calculations regarding charge transfer between the π-complexing species are also explained in a separate section. From this review, readers will gain an understanding of π-complexation for adsorption and separation, especially with MOFs, to develop new insight for future research.

  19. Separation of carbon dioxide with the use of chemical-looping combustion and gasification of fuels

    NASA Astrophysics Data System (ADS)

    Ryabov, G. A.; Folomeev, O. M.; Litun, D. S.; Sankin, D. A.

    2009-06-01

    Matters regarding using new technology for chemical-looping combustion of fuels for solving the problem of separation and disposal of artificial CO2 (CO2 sequestration) are discussed. The primary results of investigations and possible schemes for implementing the processes in pilot and commercial installations are presented. Their technical and economic indicators are estimated, and a possibility of disposing CO2 produced during electricity generation is considered.

  20. Highly accurate and fast optical penetration-based silkworm gender separation system

    NASA Astrophysics Data System (ADS)

    Kamtongdee, Chakkrit; Sumriddetchkajorn, Sarun; Chanhorm, Sataporn

    2015-07-01

    Based on our research work in the last five years, this paper highlights our innovative optical sensing system that can identify and separate silkworm gender highly suitable for sericulture industry. The key idea relies on our proposed optical penetration concepts and once combined with simple image processing operations leads to high accuracy in identifying of silkworm gender. Inside the system, there are electronic and mechanical parts that assist in controlling the overall system operation, processing the optical signal, and separating the female from male silkworm pupae. With current system performance, we achieve a very highly accurate more than 95% in identifying gender of silkworm pupae with an average system operational speed of 30 silkworm pupae/minute. Three of our systems are already in operation at Thailand's Queen Sirikit Sericulture Centers.

  1. Fast chiral separation of drugs using columns packed with sub-2 microm particles and ultra-high pressure.

    PubMed

    Guillarme, Davy; Bonvin, Gregoire; Badoud, Flavia; Schappler, Julie; Rudaz, Serge; Veuthey, Jean-Luc

    2010-03-01

    The use of columns packed with sub-2 microm particles in liquid chromatography with very high pressure conditions (known as UHPLC) was investigated for the fast enantioseparation of drugs. Two different procedures were evaluated and compared using amphetamine derivatives and beta-blockers as model compounds. In one case, cyclodextrins (CD) were directly added to the mobile phase and chiral separations were carried out in less than 5 min. However, this strategy suffered from several drawbacks linked to column lifetime and low chromatographic efficiencies. In the other case, the analysis of enantiomers was carried out after a derivatization procedure using two different reagents, 2,3,4-tri-O-acetyl-alpha-D-arabinopyranosyl isothiocyanate (AITC) and N-alpha-(2,4-dinitro-5-fluorophenyl)-L-alaninamide (Marfey's reagent). Separation of several amphetamine derivatives contained within the same sample was achieved in 2-5 min with high efficiency and selectivity. The proposed approach was also successfully applied to the enantiomeric purity determination of (+)-(S)-amphetamine and (+)-(S)-methamphetamine. Similar results were obtained with beta-blockers, and the separation of 10 enantiomers was carried out in less than 3 min, whereas the individual separation of several beta-blocker enantiomers was performed in 1 min or less.

  2. Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography.

    PubMed

    Fitz, Brian D; Mannion, Brandyn C; To, Khang; Hoac, Trinh; Synovec, Robert E

    2015-05-01

    Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capillary column was operated at a column heating rate of 250 °C/min to produce a 60s separation. Two sets of experiments were conducted in parallel to characterize the instrumental platform. First, the three injection methods were performed in conjunction with in-house built high-speed cryo-focusing injection (HSCFI) to cryogenically trap and re-inject the analytes onto the LTM-GC column in a narrower band. Next, the three injection methods were performed natively with LTM-GC. Using HSCFI, the peak capacity of a separation of 50 nl of a 73 component liquid test mixture was 270, which was 23% higher than without HSCFI. Similar peak capacity gains were obtained when using the HSCFI with HS-SPME (25%), and even greater with vapor injection (56%). For the 100 μl vapor sample injected without HSCFI, the preconcentration factor, defined as the ratio of the maximum concentration of the detected analyte peak relative to the analyte concentration injected with the syringe, was determined to be 11 for the earliest eluting peak (most volatile analyte). In contrast, the preconcentration factor for the earliest eluting peak using HSCFI was 103. Therefore, LTM-GC is demonstrated to natively provide in situ analyte trapping, although not to as great an extent as with HSCFI. We also report the use of LTM-GC applied with time-of-flight mass spectrometry (TOFMS) detection for rapid, high peak capacity separations from SPME sampled banana peel headspace.

  3. Krypton separation from ambient air for application in collinear fast beam laser spectroscopy.

    PubMed

    Mohamed, Tarek; Strohaber, James; Nava, Ricardo; Kolomenskii, Alexandre; Thonnard, Norbert; Schuessler, Hans A

    2012-07-01

    A portable apparatus for the separation of krypton from environmental air samples was tested. The apparatus is based on the cryogenic trapping of gases at liquid nitrogen temperature followed by controlled releases at higher temperatures. The setup consists of a liquid nitrogen trap for the removal of H(2)O and CO(2), followed by charcoal-filled coils that sequentially collect and release krypton and other gases providing four stages of gas chromatography to achieve separation and purification of krypton from mainly N(2), O(2), and Ar. Residual reactive gases remaining after the final stage of chromatography are removed with a hot Ti sponge getter. A thermal conductivity detector is used to monitor the characteristic elution times of the various components of condensed gases in the traps during step-wise warming of the traps from liquid nitrogen temperatures to 0 °C, and then to 100 °C. This allows optimizing the switching times of the valves between the stages of gas chromatography so that mainly krypton is selected and loaded to the next stage while exhausting the other gases using a He carrier. A krypton separation efficiency of ~80 % was determined using a quadrupole mass spectrometer.

  4. Feasibility of the preparation of silica monoliths for gas chromatography: fast separation of light hydrocarbons.

    PubMed

    Azzouz, Imadeddine; Essoussi, Anouar; Fleury, Joachim; Haudebourg, Raphael; Thiebaut, Didier; Vial, Jerome

    2015-02-27

    The preparation conditions of silica monoliths for gas chromatography were investigated. Silica-based monolithic capillary columns based on sol-gel process were tested in the course of high-speed gas chromatographic separations of light hydrocarbons mixture (C1-C4). The impact of modifying the amount of porogen and/or catalyst on the monolith properties were studied. At the best precursor/catalyst/porogen ratio evaluated, a column efficiency of about 6500 theoretical plates per meter was reached with a very good resolution (4.3) for very light compounds (C1-C2). The test mixture was baseline separated on a 70cm column. To our knowledge for the first time a silica-based monolithic capillary column was able to separate light hydrocarbons from methane to n-butane at room temperature with a back pressure in the range of gas chromatography facilities (under 4.1bar). Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Fast separation of triterpenoid saponins using supercritical fluid chromatography coupled with single quadrupole mass spectrometry.

    PubMed

    Huang, Yang; Zhang, Tingting; Zhou, Haibo; Feng, Ying; Fan, Chunlin; Chen, Weijia; Crommen, Jacques; Jiang, Zhengjin

    2016-03-20

    Triterpenoid saponins (TSs) are the most important components of some traditional Chinese medicines (TCMs) and have exhibited valuable pharmacological properties. In this study, a rapid and efficient method was developed for the separation of kudinosides, stauntosides and ginsenosides using supercritical fluid chromatography coupled with single quadrupole mass spectrometry (SFC-MS). The separation conditions for the selected TSs were carefully optimized after the initial screening of eight stationary phases. The best compromise for all compounds in terms of chromatographic performance and MS sensitivity was obtained when water (5-10%) and formic acid (0.05%) were added to the supercritical carbon dioxide/MeOH mobile phase. Beside the composition of the mobile phase, the nature of the make-up solvent for interfacing SFC with MS was also evaluated. Compared to reversed phase liquid chromatography, the SFC approach showed higher resolution and shorter running time. The developed SFC-MS methods were successfully applied to the separation and identification of TSs present in Ilex latifolia Thunb., Panax quinquefolius L. and Panax ginseng C.A. Meyer. These results suggest that this SFC-MS approach could be employed as a useful tool for the quality assessment of natural products containing TSs as active components.

  6. Long-term fertilization alters chemically-separated soil organic carbon pools: Based on stable C isotope analyses

    PubMed Central

    Dou, Xiaolin; He, Ping; Cheng, Xiaoli; Zhou, Wei

    2016-01-01

    Quantification of dynamics of soil organic carbon (SOC) pools under the influence of long-term fertilization is essential for predicting carbon (C) sequestration. We combined soil chemical fractionation with stable C isotope analyses to investigate the C dynamics of the various SOC pools after 25 years of fertilization. Five types of soil samples (0–20, 20–40 cm) including the initial level (CK) and four fertilization treatments (inorganic nitrogen fertilizer, IN; balanced inorganic fertilizer, NPK; inorganic fertilizer plus farmyard manure, MNPK; inorganic fertilizer plus corn straw residue, SNPK) were separated into recalcitrant and labile fractions, and the fractions were analysed for C content, C:N ratios, δ13C values, soil C and N recalcitrance indexes (RIC and RIN). Chemical fractionation showed long-term MNPK fertilization strongly increased the SOC storage in both soil layers (0–20 cm = 1492.4 gC m2 and 20–40 cm = 1770.6 gC m2) because of enhanced recalcitrant C (RC) and labile C (LC). The 25 years of inorganic fertilizer treatment did not increase the SOC storage mainly because of the offsetting effects of enhanced RC and decreased LC, whereas no clear SOC increases under the SNPK fertilization resulted from the fast decay rates of soil C. PMID:26750143

  7. Long-term fertilization alters chemically-separated soil organic carbon pools: Based on stable C isotope analyses

    NASA Astrophysics Data System (ADS)

    Dou, Xiaolin; He, Ping; Cheng, Xiaoli; Zhou, Wei

    2016-01-01

    Quantification of dynamics of soil organic carbon (SOC) pools under the influence of long-term fertilization is essential for predicting carbon (C) sequestration. We combined soil chemical fractionation with stable C isotope analyses to investigate the C dynamics of the various SOC pools after 25 years of fertilization. Five types of soil samples (0–20, 20–40 cm) including the initial level (CK) and four fertilization treatments (inorganic nitrogen fertilizer, IN; balanced inorganic fertilizer, NPK; inorganic fertilizer plus farmyard manure, MNPK; inorganic fertilizer plus corn straw residue, SNPK) were separated into recalcitrant and labile fractions, and the fractions were analysed for C content, C:N ratios, δ13C values, soil C and N recalcitrance indexes (RIC and RIN). Chemical fractionation showed long-term MNPK fertilization strongly increased the SOC storage in both soil layers (0–20 cm = 1492.4 gC m2 and 20–40 cm = 1770.6 gC m2) because of enhanced recalcitrant C (RC) and labile C (LC). The 25 years of inorganic fertilizer treatment did not increase the SOC storage mainly because of the offsetting effects of enhanced RC and decreased LC, whereas no clear SOC increases under the SNPK fertilization resulted from the fast decay rates of soil C.

  8. Can Nanofluidic Chemical Release Enable Fast, High Resolution Neurotransmitter-Based Neurostimulation?

    PubMed Central

    Jones, Peter D.; Stelzle, Martin

    2016-01-01

    Artificial chemical stimulation could provide improvements over electrical neurostimulation. Physiological neurotransmission between neurons relies on the nanoscale release and propagation of specific chemical signals to spatially-localized receptors. Current knowledge of nanoscale fluid dynamics and nanofluidic technology allows us to envision artificial mechanisms to achieve fast, high resolution neurotransmitter release. Substantial technological development is required to reach this goal. Nanofluidic technology—rather than microfluidic—will be necessary; this should come as no surprise given the nanofluidic nature of neurotransmission. This perspective reviews the state of the art of high resolution electrical neuroprostheses and their anticipated limitations. Chemical release rates from nanopores are compared to rates achieved at synapses and with iontophoresis. A review of microfluidic technology justifies the analysis that microfluidic control of chemical release would be insufficient. Novel nanofluidic mechanisms are discussed, and we propose that hydrophobic gating may allow control of chemical release suitable for mimicking neurotransmission. The limited understanding of hydrophobic gating in artificial nanopores and the challenges of fabrication and large-scale integration of nanofluidic components are emphasized. Development of suitable nanofluidic technology will require dedicated, long-term efforts over many years. PMID:27065794

  9. Methyl parathion imprinted polymer nanoshell coated on the magnetic nanocore for selective recognition and fast adsorption and separation in soils.

    PubMed

    Xu, Shiying; Guo, Changjuan; Li, Yongxian; Yu, Zerong; Wei, Chaohai; Tang, Youwen

    2014-01-15

    Core-shell magnetic methyl parathion (MP) imprinted polymers (Fe3O4@MPIPs) were fabricated by a layer-by-layer self-assembly process. In order to take full advantage of the synergistic effect of hydrogen-binding interactions and π-π accumulation between host and guest for molecular recognition, methacrylic acid and 4-vinyl pyridine were chosen as co-functional monomers and their optimal proportion were investigated. The core-shell and crystalline structure, morphology and magnetic properties of Fe3O4@MPIPs were characterized. The MP-imprinted nanoshell was almost uniform and about 100nm thick. Binding experiments demonstrated that Fe3O4@MPIPs possessed excellent binding properties, including high adsorption capacity and specific recognition, as well as fast adsorption kinetics and a fast phase separation rate. The equilibration adsorption capacity reached up to 9.1mg/g, which was 12 times higher than that of magnetic non-imprinted polymers, while adsorption reached equilibrium within 5min at a concentration of 0.2mmol/L. Furthermore, Fe3O4@MPIPs successfully provided selective separation and removal of MP in soils with a recovery and detection limit of 81.1-87.0% and 5.2ng/g, respectively.

  10. Separation of chemical groups from bio-oil aqueous phase via sequential organic solvent extraction

    DOE PAGES

    Ren, Shoujie; Ye, Philip; Borole, Abhijeet P

    2017-01-05

    Bio-oil aqueous phase contains a considerable amount of furans, alcohols, ketones, aldehydes and phenolics besides the major components of organic acids and anhydrosugars. The complexity of bio-oil aqueous phase limits its efficient utilization. To improve the efficiency of bio-oil biorefinery, this study focused on the separation of chemical groups from bio-oil aqueous phase via sequential organic solvent extractions. Due to their high recoverability and low solubility in water, four solvents (hexane, petroleum ether, chloroform, and ethyl acetate) with different polarities were evaluated, and the optimum process conditions for chemical extraction were determined. Chloroform had high extraction efficiency for furans, phenolics,more » and ketones. In addition to these chemical groups, ethyl acetate had high extraction efficiency for organic acids. The sequential extraction by using chloroform followed by ethyl acetate rendered that 62.2 wt.% of original furans, ketones, alcohols, and phenolics were extracted to chloroform, over 62 wt.% acetic acid was extracted to ethyl acetate, resulting in a high concentration of levoglucosan (~53.0 wt.%) in the final aqueous phase. Chemicals separated via the sequential extraction could be used as feedstocks in biorefinery using processes such as catalytic upgrading of furans and phenolics to hydrocarbons, fermentation of levoglucosan to produce alcohols and diols, and hydrogen production from organic acids via microbial electrolysis.« less

  11. Multiplexing slanted spiral microchannels for ultra-fast blood plasma separation.

    PubMed

    Rafeie, Mehdi; Zhang, Jun; Asadnia, Mohsen; Li, Weihua; Warkiani, Majid Ebrahimi

    2016-08-07

    Blood and blood products are critical components of health care. Blood components perform distinct functions in the human body and thus the ability to efficiently fractionate blood into its individual components (i.e., plasma and cellular components) is of utmost importance for therapeutic and diagnostic purposes. Although conventional approaches like centrifugation and membrane filtration for blood processing have been successful in generating relatively pure fractions, they are largely limited by factors such as the required blood sample volume, component purity, clogging, processing time and operation efficiency. In this work, we developed a high-throughput inertial microfluidic system for cell focusing and blood plasma separation from small to large volume blood samples (1-100 mL). Initially, polystyrene beads and blood cells were used to investigate the inertial focusing performance of a single slanted spiral microchannel as a function of particle size, flow rate, and blood cell concentration. Afterwards, blood plasma separation was conducted using an optimised spiral microchannel with relatively large dimensions. It was found that the reject ratio of the slanted spiral channel is close to 100% for blood samples with haematocrit (HCT) values of 0.5% and 1% under an optimal flow rate of 1.5 mL min(-1). Finally, through a unique multiplexing approach, we built a high-throughput system consisting of 16 spiral channels connected together, which can process diluted samples with a total flow rate as high as 24 mL min(-1). The proposed multiplexed system can surmount the shortcomings of previously reported microfluidic systems for plasma separation and cell sorting in terms of throughput, yield and operation efficiency.

  12. Modelling of fast hydrogen permeability of alloys for membrane gas separation

    NASA Astrophysics Data System (ADS)

    Zaika, Yu. V.; Rodchenkova, N. I.

    2017-05-01

    The method of measuring the specific hydrogen permeability is used to study various alloys that are promising for gas separation installations. The nonlinear boundary value problem of hydrogen permeability complying with the specific features of the experiment and its modifications taking into account the high transfer rate is presented. Substantial difference from the quasi-equilibrium model (Richardson approximation in the assumption of the equilibrium Sieverts' law near the surface) has been discussed. The model is tested on published experimental data on Ta77Nb23 alloy.

  13. A fast, uncoupled, compressible, two-dimensional, unsteady boundary layer algorithm with separation for engine inlets

    NASA Technical Reports Server (NTRS)

    Roach, Robert L.; Nelson, Chris; Sakowski, Barbara; Darling, Douglas; Vandewall, Allan G.

    1992-01-01

    A finite difference boundary layer algorithm was developed to model viscous effects when an inviscid core flow solution is given. This algorithm solved each boundary layer equation separately, then iterated to find a solution. Solving the boundary layer equations sequentially was 2.4 to 4.0 times faster than solving the boundary layer equations simultaneously. This algorithm used a modified Baldwin-Lomax turbulence model, a weighted average of forward and backward differencing of the pressure gradient, and a backward sweep of the pressure. With these modifications, the boundary layer algorithm was able to model flows with and without separation. The number of grid points used in the boundary layer algorithm affected the stability of the algorithm as well as the accuracy of the predictions of friction coefficients and momentum thicknesses. Results of this boundary layer algorithm compared well with experimental observations of friction coefficients and momentum thicknesses. In addition, when used interactively with an inviscid flow algorithm, this boundary layer algorithm corrected for viscous effects to give a good match with experimental observations for pressures in a supersonic inlet.

  14. Chiral separation of G-type chemical warfare nerve agents via analytical supercritical fluid chromatography.

    PubMed

    Kasten, Shane A; Zulli, Steven; Jones, Jonathan L; Dephillipo, Thomas; Cerasoli, Douglas M

    2014-12-01

    Chemical warfare nerve agents (CWNAs) are extremely toxic organophosphorus compounds that contain a chiral phosphorus center. Undirected synthesis of G-type CWNAs produces stereoisomers of tabun, sarin, soman, and cyclosarin (GA, GB, GD, and GF, respectively). Analytical-scale methods were developed using a supercritical fluid chromatography (SFC) system in tandem with a mass spectrometer for the separation, quantitation, and isolation of individual stereoisomers of GA, GB, GD, and GF. Screening various chiral stationary phases (CSPs) for the capacity to provide full baseline separation of the CWNAs revealed that a Regis WhelkO1 (SS) column was capable of separating the enantiomers of GA, GB, and GF, with elution of the P(+) enantiomer preceding elution of the corresponding P(-) enantiomer; two WhelkO1 (SS) columns had to be connected in series to achieve complete baseline resolution. The four diastereomers of GD were also resolved using two tandem WhelkO1 (SS) columns, with complete baseline separation of the two P(+) epimers. A single WhelkO1 (RR) column with inverse stereochemistry resulted in baseline separation of the GD P(-) epimers. The analytical methods described can be scaled to allow isolation of individual stereoisomers to assist in screening and development of countermeasures to organophosphorus nerve agents.

  15. Chiral Separation of G-type Chemical Warfare Nerve Agents via Analytical Supercritical Fluid Chromatography

    PubMed Central

    Kasten, Shane A; Zulli, Steven; Jones, Jonathan L; Dephillipo, Thomas; Cerasoli, Douglas M

    2014-01-01

    Chemical warfare nerve agents (CWNAs) are extremely toxic organophosphorus compounds that contain a chiral phosphorus center. Undirected synthesis of G-type CWNAs produces stereoisomers of tabun, sarin, soman, and cyclosarin (GA, GB, GD, and GF, respectively). Analytical-scale methods were developed using a supercritical fluid chromatography (SFC) system in tandem with a mass spectrometer for the separation, quantitation, and isolation of individual stereoisomers of GA, GB, GD, and GF. Screening various chiral stationary phases (CSPs) for the capacity to provide full baseline separation of the CWNAs revealed that a Regis WhelkO1 (SS) column was capable of separating the enantiomers of GA, GB, and GF, with elution of the P(+) enantiomer preceding elution of the corresponding P(–) enantiomer; two WhelkO1 (SS) columns had to be connected in series to achieve complete baseline resolution. The four diastereomers of GD were also resolved using two tandem WhelkO1 (SS) columns, with complete baseline separation of the two P(+) epimers. A single WhelkO1 (RR) column with inverse stereochemistry resulted in baseline separation of the GD P(–) epimers. The analytical methods described can be scaled to allow isolation of individual stereoisomers to assist in screening and development of countermeasures to organophosphorus nerve agents. Chirality 26:817–824, 2014. © 2014 The Authors. Chirality published by John Wiley Periodicals, Inc. PMID:25298066

  16. Effects of digestion, chemical separation, and deposition on Po-210 quantitative analysis

    SciTech Connect

    Seiner, Brienne N.; Morley, Shannon M.; Beacham, Tere A.; Haney, Morgan M.; Gregory, Stephanie J.; Metz, Lori A.

    2014-10-01

    Polonium-210 is a radioactive isotope often used to study sedimentation processes, food chains, aerosol behavior, and atmospheric circulations related to environmental sciences. Materials for the analysis of Po-210 range from tobacco leaves or cotton fibers, to soils and sediments. The purpose of this work was to determine polonium losses from a variety of sample types (soil, cotton fiber, and air filter) due to digestion technique, chemical separation, and deposition method for alpha energy analysis. Results demonstrated that yields from a perchloric acid wet-ash were similar to that from a microwave digestion. Both were greater than the dry-ash procedure. The polonium yield from the perchloric acid wet ash was 87 ± 5%, the microwave digestion had a yield of 100 ± 7%, and the dry ash had a yield of 38 ± 5%. The chemical separation of polonium by an anion exchange resin was used only on the soil samples due to the complex nature of this sample. The yield of Po-209 tracer after chemical separation and deposition for alpha analysis was 83 ± 7% for the soil samples. Spontaneous deposition yields for the cotton and air filters were 87 ± 4% and 92 ± 6%, respectively. Based on the overall process yields for each sample type the amount of Po-210 was quantified using alpha energy analysis. The soil contained 0.18 ± 0.08 Bq/g, the cotton swipe contained 0.7 mBq/g, and the air filter contained 0.04 ± 0.02 mBq/g. High and robust yields of polonium are possible using a suitable digestion, separation, and deposition method.

  17. Evaluation of the Greiner Bio-One serum separator BCA Fast Clot tube.

    PubMed

    Dimeski, Goce; Johnston, Julie; Masci, Paul P; Zhao, Kong-Nan; Brown, Nigel

    2017-07-26

    Current commercial tubes have difficulties in producing "true" serum from all blood samples even within the recommended clotting times. Hence, Becton Dickinson (BD) and now Greiner have produced tubes containing thrombin as the procoagulant to reduce the clotting time and increase the possibility of producing serum from anticoagulated blood samples. The Greiner BCA Fast Clot (GBBCAFC) tube was evaluated in a hospital environment using 40 participants, (30 healthy and 10 undergoing renal dialysis) for 32 analytes against the Greiner lithium heparin tube and the BD Rapid Serum Tubes (BD RST) tube measured on Beckman DxC 800 and DxI 800 analyzers. Clotting strength was also examined using thromboelastography (TEG). The analytes results showed there was a very close agreement between the BD RST tube and GBBCAFC tube in comparison with lithium heparin plasma. The result comparison data showed equivalent performance with lower levels of hemolysis. The prolonged storage study also showed very similar agreement between the BD RST and the GBBCAFC tubes. Likewise, the TEG data showed there was very little difference in clotting ability between the tubes, and neither was capable of producing true serum from blood spiked with 2 U heparin/mL of blood. The study showed the GBBCAFC tube with the combination of the two procoagulants blood clotting activator and thrombin produced comparable performance with the lithium heparin plasma and the BD RST serum samples.

  18. Fast-multivariate optimization of chiral separations in capillary electrophoresis: anticipative strategies.

    PubMed

    Escuder-Gilabert, L; Martín-Biosca, Y; Sagrado, S; Medina-Hernández, M J

    2014-10-10

    The design of experiments (DOE) is a good option for rationally limiting the number of experiments required to achieve the enantioresolution (Rs) of a chiral compound in capillary electrophoresis. In some cases, the modeled Rs after DOE analysis can be unsatisfactory, maybe because the range of the explored factors (DOE domain) was not the adequate. In these cases, anticipative strategies can be an alternative to the repetition of the process (e.g. a new DOE), to save time and money. In this work, multiple linear regression (MLR)-steepest ascent and a new anticipative strategy based on a multiple response-partial least squares model (called PLS2-prediction) are examined as post-DOE strategies to anticipate new experimental conditions providing satisfactory Rs values. The new anticipative strategy allows to include the analysis time (At) and uncertainty limits into the decision making process. To demonstrate their efficiency, the chiral separation of hexaconazole and penconazole, as model compounds, is studied using highly sulfated-β-cyclodextrin (HS-β-CD) in electrokinetic chromatography (EKC). Box-Behnken DOE for three factors (background electrolyte pH, separation temperature and HS-β-CD concentration) and two responses (Rs and At) is used. Using commercially available software, the whole modeling and anticipative process is automatic, simple and requires minimal skills from the researcher. Both strategies studied have proven to successfully anticipate Rs values close to the experimental ones for EKC conditions outside the DOE domain for the two model compounds. The results in this work suggest that PLS2-prediction approach could be the strategy of choice to obtain secure anticipations in EKC.

  19. Electrical and chemical synapses among parvalbumin fast-spiking GABAergic interneurons in adult mouse neocortex

    PubMed Central

    Galarreta, Mario; Hestrin, Shaul

    2002-01-01

    Networks of γ-aminobutyric acid (GABA)ergic interneurons connected via electrical and chemical synapses are thought to play an important role in detecting and promoting synchronous activity in the cerebral cortex. Although the properties of electrical and chemical synaptic interactions among inhibitory interneurons are critical for their function as a network, they have only been studied systematically in juvenile animals. Here, we have used transgenic mice expressing the enhanced green fluorescent protein in cells containing parvalbumin (PV) to study the synaptic connectivity among fast-spiking (FS) cells in slices from adult animals (2–7 months old). We have recorded from pairs of PV-FS cells and found that the majority of them were electrically coupled (61%, 14 of 23 pairs). In addition, 78% of the pairs were connected via GABAergic chemical synapses, often reciprocally. The average coupling coefficient for step injections was 1.5% (n = 14), a smaller value than that reported in juvenile animals. GABA-mediated inhibitory postsynaptic currents and potentials decayed with exponential time constants of 2.6 and 5.9 ms, respectively, and exhibited paired-pulse depression (50-ms interval). The inhibitory synaptic responses in the adult were faster than those observed in young animals. Our results indicate that PV-FS cells are highly interconnected in the adult cerebral cortex by both electrical and chemical synapses, establishing networks that can have important implications for coordinating activity in cortical circuits. PMID:12213962

  20. Discovery of optimal zeolites for challenging separations and chemical conversions through predictive materials modeling

    NASA Astrophysics Data System (ADS)

    Siepmann, J. Ilja; Bai, Peng; Tsapatsis, Michael; Knight, Chris; Deem, Michael W.

    2015-03-01

    Zeolites play numerous important roles in modern petroleum refineries and have the potential to advance the production of fuels and chemical feedstocks from renewable resources. The performance of a zeolite as separation medium and catalyst depends on its framework structure and the type or location of active sites. To date, 213 framework types have been synthesized and >330000 thermodynamically accessible zeolite structures have been predicted. Hence, identification of optimal zeolites for a given application from the large pool of candidate structures is attractive for accelerating the pace of materials discovery. Here we identify, through a large-scale, multi-step computational screening process, promising zeolite structures for two energy-related applications: the purification of ethanol beyond the ethanol/water azeotropic concentration in a single separation step from fermentation broths and the hydroisomerization of alkanes with 18-30 carbon atoms encountered in petroleum refining. These results demonstrate that predictive modeling and data-driven science can now be applied to solve some of the most challenging separation problems involving highly non-ideal mixtures and highly articulated compounds. Financial support from the Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award DE-FG02-12ER16362 is gratefully acknowledged.

  1. General screening and optimization strategy for fast chiral separations in modern supercritical fluid chromatography.

    PubMed

    Nováková, Lucie; Douša, Michal

    2017-01-15

    High throughput general chiral screening method using supercritical fluid chromatography was developed. This method takes an advantage of very fast gradient screening (3 min + 1 min isocratic hold) and generic enantioselectivity of the combined additive formed by 0.1% trifluoroacetic (TFA) acid and 0.1% diethylamine (DEA). The TFA/DEA combined additive was systematically added to organic modifiers methanol and isopropanol. Among five tested polysaccharide-based chiral stationary phases, amylose tris(3,5-dimethylphenylcarbamate) and cellulose tris(3,5-dimethylphenylcarbamate) provided the best enantioseparation success rate. Therefore, the proposed initial first-line screening includes four experiments using these two stationary phases and the above mentioned two combinations: CO2/methanol and CO2/isopropanol + the combined additive. If these stationary phases fail in the screening step, cellulose tris(3-chloro-4-methylphenylcarbamate) and cellulose tris(3,5-dichlorophenylcarbamate) can be proposed for the screening in the second line. For further optimization in case of insufficient resolution obtained in the screening phase fine tuning of temperature, BPR pressure and gradient slope was tested with unsuccessful results. An improvement of enantioselectivity was obtained only when gradient elution was replaced by isocratic elution with substantially lower amount of organic modifier, when changing the concentration of the additive or when using combined organic modifier, such as methanol/acetonitrile (1:1). Finally, to enable the MS compatibility, also volatile additives including ammonium formate and ammonium acetate were tested. The results were more encouraging than expected. Volatile buffers thus make an interesting option in chiral SFC screening methods, however, at the cost of somewhat lower enantioselectivity. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Chemical abundances of fast-rotating massive stars . II. Interpretation and comparison with evolutionary models

    NASA Astrophysics Data System (ADS)

    Cazorla, Constantin; Nazé, Yaël; Morel, Thierry; Georgy, Cyril; Godart, Mélanie; Langer, Norbert

    2017-08-01

    Aims: Past observations of fast-rotating massive stars exhibiting normal nitrogen abundances at their surface have raised questions about the rotational mixing paradigm. We revisit this question thanks to a spectroscopic analysis of a sample of bright fast-rotating OB stars, with the goal of quantifying the efficiency of rotational mixing at high rotation rates. Methods: Our sample consists of 40 fast rotators on the main sequence, with spectral types comprised between B0.5 and O4. We compare the abundances of some key element indicators of mixing (He, CNO) with the predictions of evolutionary models for single objects and for stars in interacting binary systems. Results: The properties of half of the sample stars can be reproduced by single evolutionary models, even in the case of probable or confirmed binaries that can therefore be true single stars in a pre-interaction configuration. The main problem for the rest of the sample is a mismatch for the [N/O] abundance ratio (we confirm the existence of fast rotators with a lack of nitrogen enrichment) and/or a high helium abundance that cannot be accounted for by models. Modifying the diffusion coefficient implemented in single-star models does not solve the problem as it cannot simultaneously reproduce the helium abundances and [N/O] abundance ratios of our targets. Since part of them actually are binaries, we also compared their chemical properties with predictions for post-mass transfer systems. We found that these models can explain the abundances measured for a majority of our targets, including some of the most helium-enriched, but fail to reproduce them in other cases. Our study thus reveals that some physical ingredients are still missing in current models.

  3. Control of Chemical Effects in the Separation Process of a Differential Mobility / Mass Spectrometer System

    PubMed Central

    Schneider, Bradley B.; Coy, Stephen L.; Krylov, Evgeny V.; Nazarov, Erkinjon G.

    2013-01-01

    Differential mobility spectrometry (DMS) separates ions on the basis of the difference in their migration rates under high versus low electric fields. Several models describing the physical nature of this field mobility dependence have been proposed but emerging as a dominant effect is the clusterization model sometimes referred to as the dynamic cluster-decluster model. DMS resolution and peak capacity is strongly influenced by the addition of modifiers which results in the formation and dissociation of clusters. This process increases selectivity due to the unique chemical interactions that occur between an ion and neutral gas phase molecules. It is thus imperative to bring the parameters influencing the chemical interactions under control and find ways to exploit them in order to improve the analytical utility of the device. In this paper we describe three important areas that need consideration in order to stabilize and capitalize on the chemical processes that dominate a DMS separation. The first involves means of controlling the dynamic equilibrium of the clustering reactions with high concentrations of specific reagents. The second area involves a means to deal with the unwanted heterogeneous cluster ion populations emitted from the electrospray ionization process that degrade resolution and sensitivity. The third involves fine control of parameters that affect the fundamental collision processes, temperature and pressure. PMID:20065515

  4. Carbon molecular sieves from carbon cloth: Influence of the chemical impregnant on gas separation properties

    NASA Astrophysics Data System (ADS)

    Rodríguez-Blanco, G.; Giraldo, L.; Moreno-Piraján, J. C.

    2010-06-01

    Carbon materials with molecular sieve properties (CMS) were prepared by pyrolysis of cotton fabrics by chemical activation procedures. To evaluate the changes in the chemical and textural properties, the impregnants AlCl 3, ZnCl 2 and H 3PO 4 were used at 1123 K. The materials were characterized using adsorption of nitrogen and carbon dioxide, TPD, and immersion calorimetry in C 6H 6. Adsorption kinetics of O 2, N 2, CO 2, CH 4, C 3H 8 and C 3H 6 were measured in all the prepared materials to determine their behaviour as molecular sieves. The results confirm that the chemical used as impregnant has a significant effect on the resulting CMS separation properties. All materials exhibit microporosity and low oxygen surface group contents; however, the sample impregnated with zinc chloride, with an immersion enthalpy value of 66.4 J g -1 in benzene, exhibits the best performance in the separation of CH 4-CO 2 and C 3H 8-C 3H 6 at 273 K.

  5. Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling.

    PubMed

    Bai, Peng; Jeon, Mi Young; Ren, Limin; Knight, Chris; Deem, Michael W; Tsapatsis, Michael; Siepmann, J Ilja

    2015-01-21

    Zeolites play numerous important roles in modern petroleum refineries and have the potential to advance the production of fuels and chemical feedstocks from renewable resources. The performance of a zeolite as separation medium and catalyst depends on its framework structure. To date, 213 framework types have been synthesized and >330,000 thermodynamically accessible zeolite structures have been predicted. Hence, identification of optimal zeolites for a given application from the large pool of candidate structures is attractive for accelerating the pace of materials discovery. Here we identify, through a large-scale, multi-step computational screening process, promising zeolite structures for two energy-related applications: the purification of ethanol from fermentation broths and the hydroisomerization of alkanes with 18-30 carbon atoms encountered in petroleum refining. These results demonstrate that predictive modelling and data-driven science can now be applied to solve some of the most challenging separation problems involving highly non-ideal mixtures and highly articulated compounds.

  6. Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling

    NASA Astrophysics Data System (ADS)

    Bai, Peng; Jeon, Mi Young; Ren, Limin; Knight, Chris; Deem, Michael W.; Tsapatsis, Michael; Siepmann, J. Ilja

    2015-01-01

    Zeolites play numerous important roles in modern petroleum refineries and have the potential to advance the production of fuels and chemical feedstocks from renewable resources. The performance of a zeolite as separation medium and catalyst depends on its framework structure. To date, 213 framework types have been synthesized and >330,000 thermodynamically accessible zeolite structures have been predicted. Hence, identification of optimal zeolites for a given application from the large pool of candidate structures is attractive for accelerating the pace of materials discovery. Here we identify, through a large-scale, multi-step computational screening process, promising zeolite structures for two energy-related applications: the purification of ethanol from fermentation broths and the hydroisomerization of alkanes with 18-30 carbon atoms encountered in petroleum refining. These results demonstrate that predictive modelling and data-driven science can now be applied to solve some of the most challenging separation problems involving highly non-ideal mixtures and highly articulated compounds.

  7. Surface-Enhanced Separation of Water from Hydrocarbons: Potential Dewatering Membranes for the Catalytic Fast Pyrolysis of Pine Biomass

    DOE PAGES

    Engtrakul, Dr. Chaiwat; Hu, Michael Z.; Bischoff, Brian L; ...

    2016-01-01

    The impact of surface-selective coatings on water permeation through a membrane when exposed to catalytic fast pyrolysis (CFP) vapor products was studied by tailoring the surface properties of the membrane coating from superhydrophilic to superhydrophobic. Our approach utilized high-performance architectured surface-selective (HiPAS) membranes that were inserted after a CFP reactor. At this insertion point, the inner wall surface of a tubular membrane was exposed to a mixture of water and upgraded product vapors, including light gases and deoxygenated hydrocarbons. Under proper membrane operating conditions, a high selectivity for water over 1-ring upgraded biomass pyrolysis hydrocarbons was observed due to amore » surface-enhanced capillary condensation process. Owing to this surface-enhanced effect, HiPAS membranes have the potential to enable high flux separations suggesting that water can be selectively removed from the CFP product vapors.« less

  8. Surface-Enhanced Separation of Water from Hydrocarbons: Potential Dewatering Membranes for the Catalytic Fast Pyrolysis of Pine Biomass

    SciTech Connect

    Engtrakul, Dr. Chaiwat; Hu, Michael Z.; Bischoff, Brian L; Jang, Gyoung Gug

    2016-01-01

    The impact of surface-selective coatings on water permeation through a membrane when exposed to catalytic fast pyrolysis (CFP) vapor products was studied by tailoring the surface properties of the membrane coating from superhydrophilic to superhydrophobic. Our approach utilized high-performance architectured surface-selective (HiPAS) membranes that were inserted after a CFP reactor. At this insertion point, the inner wall surface of a tubular membrane was exposed to a mixture of water and upgraded product vapors, including light gases and deoxygenated hydrocarbons. Under proper membrane operating conditions, a high selectivity for water over 1-ring upgraded biomass pyrolysis hydrocarbons was observed due to a surface-enhanced capillary condensation process. Owing to this surface-enhanced effect, HiPAS membranes have the potential to enable high flux separations suggesting that water can be selectively removed from the CFP product vapors.

  9. Surface-Enhanced Separation of Water from Hydrocarbons: Potential Dewatering Membranes for the Catalytic Fast Pyrolysis of Pine Biomass

    SciTech Connect

    Engtrakul, Chaiwat; Hu, Michael Z.; Bischoff, Brian L.; Jang, Gyoung G.

    2016-10-20

    The impact of surface-selective coatings on water permeation through a membrane when exposed to catalytic fast pyrolysis (CFP) vapor products was studied by tailoring the surface properties of the membrane coating from superhydrophilic to superhydrophobic. Our approach used high-performance architectured surface-selective (HiPAS) membranes that were inserted after a CFP reactor. At this insertion point, the inner wall surface of a tubular membrane was exposed to a mixture of water and upgraded product vapors, including light gases and deoxygenated hydrocarbons. Under proper membrane operating conditions, a high selectivity for water over one-ring upgraded biomass pyrolysis hydrocarbons was observed as a result of a surface-enhanced capillary condensation process. Owing to this surface-enhanced effect, HiPAS membranes have the potential to enable high flux separations, suggesting that water can be selectively removed from the CFP product vapors.

  10. Chemical Effects in the Separation Process of a Differential Mobility / Mass Spectrometer System

    PubMed Central

    Schneider, Bradley B.; Covey, Thomas R.; Coy, Stephen L.; Krylov, Evgeny V.; Nazarov, Erkinjon G.

    2013-01-01

    In differential mobility spectrometry (DMS, also referred to as high field asymmetric waveform ion mobility spectrometry, FAIMS), ions are separated on the basis of the difference in their mobility under high and low electric fields. The addition of polar modifiers to the gas transporting the ions through a DMS enhances the formation of clusters in a field-dependent way and thus amplifies the high and low field mobility difference resulting in increased peak capacity and separation power. Observations of the increase in mobility field dependence are consistent with a cluster formation model, also referred to as the dynamic cluster-decluster model. The uniqueness of chemical interactions that occur between an ion and cluster-forming neutrals increases the selectivity of the separation and the depression of low-field mobility relative to high-field mobility increases the compensation voltage and peak capacity. The effect of polar modifiers on the peak capacity across a broad range of chemicals has been investigated. We discuss the theoretical underpinnings which explain the observed effects. In contrast to the result from polar modifiers, we find that using mixtures of inert gases as the transport gas improve resolution by reducing peak width but has very little effect on peak capacity or selectivity. Inert gases do not cluster and thus do not reduce low field mobility relative to high-field mobility. The observed changes in the differential mobility α parameter exhibited by different classes of compounds when the transport gas contains polar modifiers or has a significant fraction of inert gas can be explained on the basis of the physical mechanisms involved in the separation processes. PMID:20121077

  11. Separation of Corn Fiber and Conversion to Fuels and Chemicals Phase II: Pilot-scale Operation

    SciTech Connect

    Abbas, Charles; Beery, Kyle; Orth, Rick; Zacher, Alan

    2007-09-28

    The purpose of the Department of Energy (DOE)-supported corn fiber conversion project, “Separation of Corn Fiber and Conversion to Fuels and Chemicals Phase II: Pilot-scale Operation” is to develop and demonstrate an integrated, economical process for the separation of corn fiber into its principal components to produce higher value-added fuel (ethanol and biodiesel), nutraceuticals (phytosterols), chemicals (polyols), and animal feed (corn fiber molasses). This project has successfully demonstrated the corn fiber conversion process on the pilot scale, and ensured that the process will integrate well into existing ADM corn wet-mills. This process involves hydrolyzing the corn fiber to solubilize 50% of the corn fiber as oligosaccharides and soluble protein. The solubilized fiber is removed and the remaining fiber residue is solvent extracted to remove the corn fiber oil, which contains valuable phytosterols. The extracted oil is refined to separate the phytosterols and the remaining oil is converted to biodiesel. The de-oiled fiber is enzymatically hydrolyzed and remixed with the soluble oligosaccharides in a fermentation vessel where it is fermented by a recombinant yeast, which is capable of fermenting the glucose and xylose to produce ethanol. The fermentation broth is distilled to remove the ethanol. The stillage is centrifuged to separate the yeast cell mass from the soluble components. The yeast cell mass is sold as a high-protein yeast cream and the remaining sugars in the stillage can be purified to produce a feedstock for catalytic conversion of the sugars to polyols (mainly ethylene glycol and propylene glycol) if desirable. The remaining materials from the purification step and any materials remaining after catalytic conversion are concentrated and sold as a corn fiber molasses. Additional high-value products are being investigated for the use of the corn fiber as a dietary fiber sources.

  12. Chemically Stable Covalent Organic Framework (COF)-Polybenzimidazole Hybrid Membranes: Enhanced Gas Separation through Pore Modulation.

    PubMed

    Biswal, Bishnu P; Chaudhari, Harshal D; Banerjee, Rahul; Kharul, Ulhas K

    2016-03-24

    Highly flexible, TpPa-1@PBI-BuI and TpBD@PBI-BuI hybrid membranes based on chemically stable covalent organic frameworks (COFs) could be obtained with the polymer. The loading obtained was substantially higher (50 %) than generally observed with MOFs. These hybrid membranes show an exciting enhancement in permeability (about sevenfold) with appreciable separation factors for CO2/N2 and CO2/CH4. Further, we found that with COF pore modulation, the gas permeability can be systematically enhanced.

  13. Review and evaluation of extractants for strontium removal using magnetically assisted chemical separation

    SciTech Connect

    Bauer, C.B.; Rogers, R.D.; Nunez, L.; Ziemer, M.D.; Pleune, T.T.; Vandegrift, G.F.

    1995-11-01

    A literature review on extractants for strontium removal was initially performed at Northern Illinois University to assess their potential in magnetically assisted chemical separation. A series of potential strontium extractants was systematically evaluated there using radioanalytical methods. Initial experiments were designed to test the uptake of strontium from nitric acid using several samples of magnetic extractant particles that were coated with various crown ether ligands. High partition coefficient (K{sub d}) values for stimulant tank waste were obtained. Further studies demonstrated that the large partitioning was due to uncoated particles.

  14. A Mechanistic Study of Chemically Modified Inorganic Membranes for Gas and Liquid Separations

    SciTech Connect

    Way, J Douglas

    2011-01-21

    This final report will summarize the progress made during the period August 1, 1993 - October 31, 2010 with support from DOE grant number DE-FG03-93ER14363. The objectives of the research have been to investigate the transport mechanisms in micro- and mesoporous, metal oxide membranes and to examine the relationship between the microstructure of the membrane, the membrane surface chemistry, and the separation performance of the membrane. Examples of the membrane materials under investigation are the microporous silica hollow fiber membrane manufactured by PPG Industries, chemically modified mesoporous oxide membranes, and polymer membranes containing microporous oxides (mixed matrix membranes). Analytical techniques such as NMR, FTIR and Raman spectroscopy, thermal analysis, and gas adsorption were used to investigate membrane microstructure and to probe the chemical interactions occurring at the gas-membrane interface.

  15. Chemical Interactions and Their Role in the Microphase Separation of Block Copolymer Thin Films

    PubMed Central

    Farrell, Richard A.; Fitzgerald, Thomas G.; Borah, Dipu; Holmes, Justin D.; Morris, Michael A.

    2009-01-01

    The thermodynamics of self-assembling systems are discussed in terms of the chemical interactions and the intermolecular forces between species. It is clear that there are both theoretical and practical limitations on the dimensions and the structural regularity of these systems. These considerations are made with reference to the microphase separation that occurs in block copolymer (BCP) systems. BCP systems self-assemble via a thermodynamic driven process where chemical dis-affinity between the blocks driving them part is balanced by a restorative force deriving from the chemical bond between the blocks. These systems are attracting much interest because of their possible role in nanoelectronic fabrication. This form of self-assembly can obtain highly regular nanopatterns in certain circumstances where the orientation and alignment of chemically distinct blocks can be guided through molecular interactions between the polymer and the surrounding interfaces. However, for this to be possible, great care must be taken to properly engineer the interactions between the surfaces and the polymer blocks. The optimum methods of structure directing are chemical pre-patterning (defining regions on the substrate of different chemistry) and graphoepitaxy (topographical alignment) but both centre on generating alignment through favourable chemical interactions. As in all self-assembling systems, the problems of defect formation must be considered and the origin of defects in these systems is explored. It is argued that in these nanostructures equilibrium defects are relatively few and largely originate from kinetic effects arising during film growth. Many defects also arise from the confinement of the systems when they are ‘directed’ by topography. The potential applications of these materials in electronics are discussed. PMID:19865513

  16. Chemical interactions and their role in the microphase separation of block copolymer thin films.

    PubMed

    Farrell, Richard A; Fitzgerald, Thomas G; Borah, Dipu; Holmes, Justin D; Morris, Michael A

    2009-08-25

    The thermodynamics of self-assembling systems are discussed in terms of the chemical interactions and the intermolecular forces between species. It is clear that there are both theoretical and practical limitations on the dimensions and the structural regularity of these systems. These considerations are made with reference to the microphase separation that occurs in block copolymer (BCP) systems. BCP systems self-assemble via a thermodynamic driven process where chemical dis-affinity between the blocks driving them part is balanced by a restorative force deriving from the chemical bond between the blocks. These systems are attracting much interest because of their possible role in nanoelectronic fabrication. This form of self-assembly can obtain highly regular nanopatterns in certain circumstances where the orientation and alignment of chemically distinct blocks can be guided through molecular interactions between the polymer and the surrounding interfaces. However, for this to be possible, great care must be taken to properly engineer the interactions between the surfaces and the polymer blocks. The optimum methods of structure directing are chemical pre-patterning (defining regions on the substrate of different chemistry) and graphoepitaxy (topographical alignment) but both centre on generating alignment through favourable chemical interactions. As in all self-assembling systems, the problems of defect formation must be considered and the origin of defects in these systems is explored. It is argued that in these nanostructures equilibrium defects are relatively few and largely originate from kinetic effects arising during film growth. Many defects also arise from the confinement of the systems when they are 'directed' by topography. The potential applications of these materials in electronics are discussed.

  17. Isolation and Characterization of Fractions of Mycoplasma pneumoniae I. Chemical and Chromatographic Separation

    PubMed Central

    Prescott, B.; Sobeslavsky, O.; Caldes, G.; Chanock, R. M.

    1966-01-01

    Prescott, B. (National Institute of Allergy and Infectious Diseases, Bethesda, Md.), O. Sobeslavsky, G. Caldes, and R. M. Chanock. Isolation and characterization of fractions of Mycoplasma pneumoniae. I. Chemical and chromatographic separation. J. Bacteriol. 91:2117–2125. 1966.—Fractionation of Mycoplasma pneumoniae, cultured on a beef heart infusion-horse serum-yeast extract medium, was carried out by chemical and chromatographic procedures. The chemical method yielded eight fractions consisting of lipid, carbohydrates, and proteins. Four protein-rich fractions were isolated by chromatographing a supernatant fluid of sonically treated organisms on Sephadex G-25. The 12 fractions were tested for serological and antigenic activity in vitro and in vivo. The lipid fraction was serologically active and the relative order of activity of the protein fractions appeared to depend on the amount of lipid present in the molecule. The highly serologically active Sephadex G-25 protein fraction 1 prepared chromatographically contained 15% lipid in the molecule, whereas the less serologically active protein fraction 2 prepared by chemical means contained 2% lipid. The acetone-extracted lipid fraction was chromatographed on thin-layer chromatography plates and found to consist of nine fractions. Serological activity was associated with only the first three spots above the origin. Lipid extracted from the protein fractions seemed to be similar to the acetone-extracted lipid from the sediment of the sonically treated organisms. PMID:5943931

  18. Solvent driving force ensures fast formation of a persistent and well-separated radical pair in plant cryptochrome.

    PubMed

    Lüdemann, Gesa; Solov'yov, Ilia A; Kubař, Tomáš; Elstner, Marcus

    2015-01-28

    The photoreceptor protein cryptochrome is thought to host, upon light absorption, a radical pair that is sensitive to very weak magnetic fields, endowing migratory birds with a magnetic compass sense. The molecular mechanism that leads to formation of a stabilized, magnetic field sensitive radical pair has despite various theoretical and experimental efforts not been unambiguously identified yet. We challenge this unambiguity through a unique quantum mechanical molecular dynamics approach where we perform electron transfer dynamics simulations taking into account the motion of the protein upon the electron transfer. This approach allows us to follow the time evolution of the electron transfer in an unbiased fashion and to reveal the molecular driving force that ensures fast electron transfer in cryptochrome guaranteeing formation of a persistent radical pair suitable for magnetoreception. We argue that this unraveled molecular mechanism is a general principle inherent to all proteins of the cryptochrome/photolyase family and that cryptochromes are, therefore, tailored to potentially function as efficient chemical magnetoreceptors.

  19. Chemical composition and bioactivity properties of size-fractions separated from a vermicompost humic acid.

    PubMed

    Canellas, Luciano P; Piccolo, Alessandro; Dobbss, Leonardo B; Spaccini, Riccardo; Olivares, Fábio L; Zandonadi, Daniel B; Façanha, Arnoldo R

    2010-01-01

    Preparative high performance size-exclusion chromatography (HPSEC) was applied to humic acids (HA) extracted from vermicompost in order to separate humic matter of different molecular dimension and evaluate the relationship between chemical properties of size-fractions (SF) and their effects on plant root growth. Molecular dimensions of components in humic SF was further achieved by diffusion-ordered nuclear magnetic resonance spectroscopy (DOSY-NMR) based on diffusion coefficients (D), while carbon distribution was evaluated by solid state (CP/MAS) (13)C NMR. Seedlings of maize and Arabidopsis were treated with different concentrations of SF to evaluate root growth. Six different SF were obtained and their carbohydrate-like content and alkyl chain length decreased with decreasing molecular size. Progressive reduction of aromatic carbon was also observed with decreasing molecular size of separated fractions. Diffusion-ordered spectroscopy (DOSY) spectra showed that SF were composed of complex mixtures of aliphatic, aromatic and carbohydrates constituents that could be separated on the basis of their diffusion. All SF promoted root growth in Arabidopsis and maize seedlings but the effects differed according to molecular size and plant species. In Arabidopsis seedlings, the bulk HA and its SF revealed a classical large auxin-like exogenous response, i.e.: shortened the principal root axis and induced lateral roots, while the effects in maize corresponded to low auxin-like levels, as suggested by enhanced principal axis length and induction of lateral roots. The reduction of humic heterogeneity obtained in HPSEC separated size-fractions suggested that their physiological influence on root growth and architecture was less an effect of their size than their content of specific bioactive molecules. However, these molecules may be dynamically released from humic superstructures and exert their bioactivity when weaker is the humic conformational stability as that obtained

  20. Separation of chemical warfare agent degradation products by the reversal of electroosmotic flow in capillary electrophoresis.

    PubMed

    Nassar, A E; Lucas, S V; Jones, W R; Hoffland, L D

    1998-03-15

    We report the development of analyses for nerve agent degradation products or related species by the reversal of electroosmotic flow in capillary electrophoresis (CE). The developed methods were used in this laboratory for analysis of samples in the second and third official proficiency tests (International Round-Robins) for the Provisional Technical Secretariat/Preparatory Commission for the Organization for the Prohibition of Chemical Weapons, and those results are reported here. Analytes studied include methylphosphonic acid (a dibasic acid), the monoisopropyl ester of ethylphosphonic acid, and the monoalkyl esters of methylphosphonic acid (R = ethyl, isopropyl, isobutyl, pinacolyl (3,3-dimethyl-2-butyl), cyclohexyl, and 2-ethylhexyl). The cationic surfactants used here for the reversal of electroosmotic flow are didodecyldimethylammonium hydroxide and cetyltrimethylammonium hydroxide. CE methods using conductivity or indirect UV detection provide a good separation efficiency and very high sensitivity for the analysis of such compounds. The detection limits for these species were about 75 micrograms/L when using conductivity detection and about 100 micrograms/L when using indirect UV detection. Because pH plays an important role in the CE separation of the alkylphosphonic acids and their monoesters, the influence of pH on these separation systems was investigated. Electrolytes were stable for at least 3 months. Excellent separation efficiency and freedom from interference due to common anions were obtained in the developed methods which typically achieved complete separations in less than 3 min. The method was applied to aqueous leachates of soil, wipes of surfaces, and vegetation sampled from a field site known to have been exposed to nerve agents and subsequently cleaned up. The data from these environmental samples indicated that the method can be expected to be useful for environmental monitoring.

  1. Development of a fast and selective separation method to determine histamine in tuna fish samples using capillary zone electrophoresis.

    PubMed

    Vitali, Luciano; Valese, Andressa Camargo; Azevedo, Mônia Stremel; Gonzaga, Luciano Valdemiro; Costa, Ana Carolina Oliveira; Piovezan, Marcel; Vistuba, Jacqueline Pereira; Micke, Gustavo A

    2013-03-15

    This paper reports on the development of a fast and selective separation method by capillary zone electrophoresis (CZE) for the determination of histamine in tuna fish samples. The background electrolyte was composed of 60 mmol L(-1) hydroxyisobutyric acid and 10 mmol L(-1) sodium hydroxide at pH 3.3. The internal standard used was imidazole. Separations were performed in a fused uncoated silica capillary (32 cm total length, 8.5 cm effective length and 50 μm internal diameter) with direct UV detection at 210 nm. The samples and standards were injected hydrodynamically (50 mbar, 3s) from the outlet capillary end (nearest to the detector) and the electrophoretic system was operated under normal polarity and constant voltage conditions of 30 kV (positive polarity on the injection side). The migration time of histamine in the proposed method was only 0.34 min. The method was then validated and different tuna fish samples were analyzed. Good linearity (R(2)>0.999), a limit of detection 0.14 mg L(-1), intra-day precision better than 3.5% (peak area of sample), and recovery in the range of 94-108% were obtained. The results of the histamine concentration determined in the samples by the CZE method were compared with the LC-MS/MS method.

  2. Thermal and fast neutron detection in chemical vapor deposition single-crystal diamond detectors

    SciTech Connect

    Almaviva, S.; Marinelli, M.; Milani, E.; Prestopino, G.; Tucciarone, A.; Verona, C.; Verona-Rinati, G.; Angelone, M.; Lattanzi, D.; Pillon, M.; Montereali, R. M.; Vincenti, M. A.

    2008-03-01

    Recently, a compact solid-state neutron detector capable of simultaneously detecting thermal and fast neutrons was proposed [M. Marinelli et al., Appl. Phys. Lett. 89, 143509 (2006)]. Its design is based on a p-type/intrinsic/metal layered structure obtained by Microwave Plasma Chemical Vapor Deposition (CVD) of homoepitaxial diamond followed by thermal evaporation of an Al contact and a {sup 6}LiF converting layer. Fast neutrons are directly detected in the CVD diamond bulk, since they have enough energy to produce the {sup 12}C(n,{alpha}){sup 9}Be reaction in diamond. Thermal neutrons are instead converted into charged particles in the {sup 6}LiF layer through the {sup 6}Li(n,{alpha})T nuclear reaction. These charged particles are then detected in the diamond layer. The thickness of the {sup 6}LiF converting layer and the CVD diamond sensing layer affect the counting efficiency and energy resolution of the detector both for low- (thermal) and high-energy neutrons. An analysis is carried out on the dynamics of the {sup 6}Li(n,{alpha})T and the {sup 12}C(n,{alpha}){sup 9}Be reactions products, and the distribution of the energy released inside the sensitive layer is calculated. The detector counting efficiency and energy resolution were accordingly derived as a function of the thickness of the {sup 6}LiF and CVD diamond layers, both for thermal and fast neutrons, thus allowing us to choose the optimum detector design for any particular application. Comparison with experimental results is also reported.

  3. Rotating belt sieves for primary treatment, chemically enhanced primary treatment and secondary solids separation.

    PubMed

    Rusten, B; Rathnaweera, S S; Rismyhr, E; Sahu, A K; Ntiako, J

    2017-06-01

    Fine mesh rotating belt sieves (RBS) offer a very compact solution for removal of particles from wastewater. This paper shows examples from pilot-scale testing of primary treatment, chemically enhanced primary treatment (CEPT) and secondary solids separation of biofilm solids from moving bed biofilm reactors (MBBRs). Primary treatment using a 350 microns belt showed more than 40% removal of total suspended solids (TSS) and 30% removal of chemical oxygen demand (COD) at sieve rates as high as 160 m³/m²-h. Maximum sieve rate tested was 288 m³/m²-h and maximum particle load was 80 kg TSS/m²-h. When the filter mat on the belt increased from 10 to 55 g TSS/m², the removal efficiency for TSS increased from about 35 to 60%. CEPT is a simple and effective way of increasing the removal efficiency of RBS. Adding about 1 mg/L of cationic polymer and about 2 min of flocculation time, the removal of TSS typically increased from 40-50% without polymer to 60-70% with polymer. Using coagulation and flocculation ahead of the RBS, separation of biofilm solids was successful. Removal efficiencies of 90% TSS, 83% total P and 84% total COD were achieved with a 90 microns belt at a sieve rate of 41 m³/m²-h.

  4. Sensitive fluorescence on-off probes for the fast detection of a chemical warfare agent mimic.

    PubMed

    Khan, Muhammad Shar Jhahan; Wang, Ya-Wen; Senge, Mathias O; Peng, Yu

    2017-08-07

    Two highly sensitive probes bearing a nucleophilic imine moiety have been utilized for the selective detection of chemical warfare agent (CWA) mimics. Diethyl chlorophosphate (DCP) was used as mimic CWAs. Both iminocoumarin-benzothiazole-based probes not only demonstrated a remarkable fluorescence ON-OFF response and good recognition, but also exhibited fast response times (10s) along with color changes upon addition of DCP. Limits of detection for the two sensors 1 and 2 were calculated as 0.065μM and 0.21μM, respectively, which are much lower than most other reported probes. These two probes not only show high sensitivity and selectivity in solution, but can also be applied for the recognition of DCP in the gas state, with significant color changes easily observed by the naked eye. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Ultra-Fast Degradation of Chemical Warfare Agents Using MOF-Nanofiber Kebabs.

    PubMed

    Zhao, Junjie; Lee, Dennis T; Yaga, Robert W; Hall, Morgan G; Barton, Heather F; Woodward, Ian R; Oldham, Christopher J; Walls, Howard J; Peterson, Gregory W; Parsons, Gregory N

    2016-10-10

    The threat associated with chemical warfare agents (CWAs) motivates the development of new materials to provide enhanced protection with a reduced burden. Metal-organic frame-works (MOFs) have recently been shown as highly effective catalysts for detoxifying CWAs, but challenges still remain for integrating MOFs into functional filter media and/or protective garments. Herein, we report a series of MOF-nanofiber kebab structures for fast degradation of CWAs. We found TiO2 coatings deposited via atomic layer deposition (ALD) onto polyamide-6 nanofibers enable the formation of conformal Zr-based MOF thin films including UiO-66, UiO-66-NH2 , and UiO-67. Cross-sectional TEM images show that these MOF crystals nucleate and grow directly on and around the nanofibers, with strong attachment to the substrates. These MOF-functionalized nanofibers exhibit excellent reactivity for detoxifying CWAs. The half-lives of a CWA simulant compound and nerve agent soman (GD) are as short as 7.3 min and 2.3 min, respectively. These results therefore provide the earliest report of MOF-nanofiber textile composites capable of ultra-fast degradation of CWAs.

  6. Very high pressure liquid chromatography using fully porous particles: quantitative analysis of fast gradient separations without post-run times.

    PubMed

    Stankovich, Joseph J; Gritti, Fabrice; Stevenson, Paul G; Beaver, Lois Ann; Guiochon, Georges

    2014-01-10

    Using a column packed with fully porous particles, four methods for controlling the flow rates at which gradient elution runs are conducted in very high pressure liquid chromatography (VHPLC) were tested to determine whether reproducible thermal conditions could be achieved, such that subsequent analyses would proceed at nearly the same initial temperature. In VHPLC high flow rates are achieved, producing fast analyses but requiring high inlet pressures. The combination of high flow rates and high inlet pressures generates local heat, leading to temperature changes in the column. Usually in this case a post-run time is input into the analytical method to allow the return of the column temperature to its initial state. An alternative strategy involves operating the column without a post-run equilibration period and maintaining constant temperature variations for subsequent analysis after conducting one or a few separations to bring the column to a reproducible starting temperature. A liquid chromatography instrument equipped with a pressure controller was used to perform constant pressure and constant flow rate VHPLC separations. Six replicate gradient separations of a nine component mixture consisting of acetophenone, propiophenone, butyrophenone, valerophenone, hexanophenone, heptanophenone, octanophenone, benzophenone, and acetanilide dissolved in water/acetonitrile (65:35, v/v) were performed under various experimental conditions: constant flow rate, two sets of constant pressure, and constant pressure operation with a programmed flow rate. The relative standard deviations of the response factors for all the analytes are lower than 5% across the methods. Programming the flow rate to maintain a fairly constant pressure instead of using instrument controlled constant pressure improves the reproducibility of the retention times by a factor of 5, when plotting the chromatograms in time.

  7. Chemical Shift Encoded Water–Fat Separation Using Parallel Imaging and Compressed Sensing

    PubMed Central

    Sharma, Samir D.; Hu, Houchun H.; Nayak, Krishna S.

    2013-01-01

    Chemical shift encoded techniques have received considerable attention recently because they can reliably separate water and fat in the presence of off-resonance. The insensitivity to off-resonance requires that data be acquired at multiple echo times, which increases the scan time as compared to a single echo acquisition. The increased scan time often requires that a compromise be made between the spatial resolution, the volume coverage, and the tolerance to artifacts from subject motion. This work describes a combined parallel imaging and compressed sensing approach for accelerated water–fat separation. In addition, the use of multiscale cubic B-splines for B0 field map estimation is introduced. The water and fat images and the B0 field map are estimated via an alternating minimization. Coil sensitivity information is derived from a calculated k-space convolution kernel and l1-regularization is imposed on the coil-combined water and fat image estimates. Uniform water–fat separation is demonstrated from retrospectively undersampled data in the liver, brachial plexus, ankle, and knee as well as from a prospectively undersampled acquisition of the knee at 8.6x acceleration. PMID:22505285

  8. Chemical interferences when using high gradient magnetic separation for phosphate removal: consequences for lake restoration.

    PubMed

    de Vicente, I; Merino-Martos, A; Guerrero, F; Amores, V; de Vicente, J

    2011-09-15

    A promising method for lake restoration is the treatment of lake inlets through the specific adsorption of phosphate (P) on strongly magnetizable particles (Fe) and their subsequent removal using in-flow high gradient magnetic separation (HGMS) techniques. In this work, we report an extensive investigation on the chemical interferences affecting P removal efficiencies in natural waters from 20 Mediterranean ponds and reservoirs. A set of three treatments were considered based on different Fe particles/P concentration ratios. High P removal efficiencies (>80%) were found in freshwater lakes (conductivities<600 μ S cm(-1)). However, a significant reduction in P removal was observed for extremely high mineralized waters. Correlation analysis showed that major cations (Mg(2+), Na(+) and K(+)) and anions (SO(4)(2-) and Cl(-)) played an essential role in P removal efficiency. Comparison between different treatments have shown that when increasing P and Fe concentrations at the same rate or when increasing Fe concentrations for a fixed P concentration, there exist systematic reductions in the slope of the regression lines relating P removal efficiency and the concentration of different chemical variables. These results evidence a general reduction in the chemical competition between P and other ions for adsorption sites on Fe particles. Additional analyses also revealed a reduction in water color, dissolved organic carbon (DOC) and reactive silicate (Si) concentrations with the addition of Fe microparticles. Copyright © 2011 Elsevier B.V. All rights reserved.

  9. The chemical abundances of the Cassiopeia A fast-moving knots - Explosive nucleosynthesis on a minicomputer

    NASA Technical Reports Server (NTRS)

    Johnston, M. D.; Joss, P. C.

    1980-01-01

    A simplified nuclear reaction network for explosive nucleosynthesis calculations is described in which only the most abundant nuclear species and the most important reactions linking these species are considered. This scheme permits the exploration of many cases without excessive computational effort. Good agreement with previous calculations employing more complex reaction networks is obtained. This scheme is applied to the observed chemical abundances of the fast-moving knots in the supernova remnant Cassiopeia A and it is found that a wide range of initial conditions could yield the observed abundances. The abundances of four of the knots with significant and different amounts of elements heavier than oxygen are consistent with an origin in material of the same initial composition but processed at different peak temperatures and densities. Despite the observed high oxygen abundances and low abundances of light elements in the knots, they did not necessarily undergo incomplete oxygen burning; in fact, it is not even necessary that oxygen have been present in the initial composition. The agreement between the calculated and observed chemical abundances in Cas A and similar supernova remnants depends primarily upon the relevant nuclear physics and does not provide strong evidence in favor of any particular model of the supernova event.

  10. Fast screening of analytes for chemical reactions by reactive low-temperature plasma ionization mass spectrometry.

    PubMed

    Zhang, Wei; Huang, Guangming

    2015-11-15

    Approaches for analyte screening have been used to aid in the fine-tuning of chemical reactions. Herein, we present a simple and straightforward analyte screening method for chemical reactions via reactive low-temperature plasma ionization mass spectrometry (reactive LTP-MS). Solution-phase reagents deposited on sample substrates were desorbed into the vapor phase by action of the LTP and by thermal desorption. Treated with LTP, both reagents reacted through a vapor phase ion/molecule reaction to generate the product. Finally, protonated reagents and products were identified by LTP-MS. Reaction products from imine formation reaction, Eschweiler-Clarke methylation and the Eberlin reaction were detected via reactive LTP-MS. Products from the imine formation reaction with reagents substituted with different functional groups (26 out of 28 trials) were successfully screened in a time of 30 s each. Besides, two short-lived reactive intermediates of Eschweiler-Clarke methylation were also detected. LTP in this study serves both as an ambient ionization source for analyte identification (including reagents, intermediates and products) and as a means to produce reagent ions to assist gas-phase ion/molecule reactions. The present reactive LTP-MS method enables fast screening for several analytes from several chemical reactions, which possesses good reagent compatibility and the potential to perform high-throughput analyte screening. In addition, with the detection of various reactive intermediates (intermediates I and II of Eschweiler-Clarke methylation), the present method would also contribute to revealing and elucidating reaction mechanisms. Copyright © 2015 John Wiley & Sons, Ltd.

  11. Fast chemical reaction in two-dimensional Navier-Stokes flow: initial regime.

    PubMed

    Ait-Chaalal, Farid; Bourqui, Michel S; Bartello, Peter

    2012-04-01

    This paper studies an infinitely fast bimolecular chemical reaction in a two-dimensional biperiodic Navier-Stokes flow. The reactants in stoichiometric quantities are initially segregated by infinite gradients. The focus is placed on the initial stage of the reaction characterized by a well-defined one-dimensional material contact line between the reactants. Particular attention is given to the effect of the diffusion κ of the reactants. This study is an idealized framework for isentropic mixing in the lower stratosphere and is motivated by the need to better understand the effect of resolution on stratospheric chemistry in climate-chemistry models. Adopting a Lagrangian straining theory approach, we relate theoretically the ensemble mean of the length of the contact line, of the gradients along it, and of the modulus of the time derivative of the space-average reactant concentrations (here called the chemical speed) to the joint probability density function of the finite-time Lyapunov exponent λ with two times τ and τ[over ̃]. The time 1/λ measures the stretching time scale of a Lagrangian parcel on a chaotic orbit up to a finite time t, while τ measures it in the recent past before t, and τ[over ̃] in the early part of the trajectory. We show that the chemical speed scales like κ(1/2) and that its time evolution is determined by rare large events in the finite-time Lyapunov exponent distribution. The case of smooth initial gradients is also discussed. The theoretical results are tested with an ensemble of direct numerical simulations (DNSs) using a pseudospectral model.

  12. Block copolymer-derived monolithic polymer films and membranes comprising self-organized cylindrical nanopores for chemical sensing and separations.

    PubMed

    Ito, Takashi

    2014-10-01

    Microphase separation of block copolymers (BCPs) has been extensively studied because it leads to the self-assembled formation of periodic structures controlled on the scale of tens of nanometers. In particular, BCP-derived cylindrical microdomains have attracted considerable interest for various applications owing to their well-defined shapes of uniform and tunable diameters. This focus review highlights recent efforts to apply BCP-derived monolithic films/membranes comprising cylindrical nanopores for chemical sensing and separations. The nanopores provide confined molecular pathways that exhibit enhanced selectivity based on steric, electrostatic, and chemical interactions, and thus, enable us to design unique electrochemical sensors and highly efficient separation membranes.

  13. Neutron activation of selenium and arsenic with or without chemical separation

    SciTech Connect

    Woittiez, J.R.W.

    1988-01-01

    At the Netherland Energy Research Foundation, neutron activation analysis (NAA) is one of the available techniques for elemental analysis. As the technique is potentially very powerful, considerable effort has been invested during the last 2 yr to optimize the multielement performance and to focus simultaneously on the best achievable single-element determination. This last activity implies concentrating the attention on measuring a well-defined signal rather than on software to evaluate complicated signals. As several irradiation facilities can be used, it is possible to choose the best obtainable instrumental activation technique. For the analysis of trace elements on the nanogram per gram level in biological material, however, the reintroduction of chemical separation of irradiated samples is inevitable. This paper presents recent results on applications of this approach. Although several well-documented techniques have been adapted, installed, and applied, and results are obtained for cadmium, molybdenum, chromium, cobalt, tin, iron, and mercury, this discussion is limited to selenium and arsenic.

  14. DNA aptamers for selective identification and separation of flame retardant chemicals.

    PubMed

    Kim, Un-Jung; Kim, Byoung Chan

    2016-09-14

    Polybrominated diphenyl ethers (PBDEs) are group of chemicals which are representative persistent organic pollutants (POPs) and used as brominated flame retardants for many consumer products. PBDEs were phased out since 2009 but are still frequently observed in various environmental matrices and human body. Here, we report ssDNA aptamers which bind to BDE47, one of the PBDE congeners commonly found in various environmental matrices, and show affinity to other major tri-to hepta- BDE congeners. The PBDE specific aptamers were isolated from random library of ssDNA using Mag-SELEX. Two out of 15 sequences, based on their alignment and hairpin loop structures, were chosen to determine dissociation constant with BDE47 and showed from picomolar to nanomolar affinities (200 pM and 1.53 nM). The aptamers displayed high selectivity to the original target, BDE47, and implying general specificity to PBDE backbone with varying affinities to other congeners. Further, we showed that the use of two aptamers together could enhance the separation efficiency of BDE47 and other BDE congeners when dissolved in a solvent compared to use of single aptamer. These aptamers are expected to provide a tool for preliminary screening or quick separation of PBDEs in environmental samples prior to trace quantitative analysis.

  15. Noninvasive temperature mapping with MRI using chemical shift water-fat separation.

    PubMed

    Soher, Brian J; Wyatt, Cory; Reeder, Scott B; MacFall, James R

    2010-05-01

    Tissues containing both water and lipids, e.g., breast, confound standard MR proton reference frequency-shift methods for mapping temperatures due to the lack of temperature-induced frequency shift in lipid protons. Generalized Dixon chemical shift-based water-fat separation methods, such as GE's iterative decomposition of water and fat with echo asymmetry and least-squares estimation method, can result in complex water and fat images. Once separated, the phase change over time of the water signal can be used to map temperature. Phase change of the lipid signal can be used to correct for non-temperature-dependent phase changes, such as amplitude of static field drift. In this work, an image acquisition and postprocessing method, called water and fat thermal MRI, is demonstrated in phantoms containing 30:70, 50:50, and 70:30 water-to-fat by volume. Noninvasive heating was applied in an Off1-On-Off2 pattern over 50 min, using a miniannular phased radiofrequency array. Temperature changes were referenced to the first image acquisition. Four fiber optic temperature probes were placed inside the phantoms for temperature comparison. Region of interest (ROI) temperature values colocated with the probes showed excellent agreement (global mean +/- standard deviation: -0.09 +/- 0.34 degrees C) despite significant amplitude of static field drift during the experiments.

  16. Fast color grouping and slow color inhibition: evidence for distinct temporal windows for separate processes in preview search.

    PubMed

    Braithwaite, Jason J; Humphreys, Glyn W; Hulleman, Johan; Watson, Derrick G

    2007-06-01

    The authors report 4 experiments that examined color grouping and negative carryover effects in preview search via a probe detection task (J. J. Braithwaite, G. W. Humphreys, & J. Hodsoll, 2003). In Experiment 1, there was evidence of a negative color carryover from the preview to new items, using both search and probe detection measures. There was also a negative bias against probes on old items that carried the majority color in the preview. With a short preview duration (150 ms) carryover effects to new items were greatly reduced, but probe detection remained biased against the majority color in the old items. Experiments 2 and 4 showed that the color bias effects on old items could be reduced when these items had to be prioritized relative to being ignored. Experiment 3 tested and rejected the idea that variations in the probability of whether minority or majority colors were probed were crucial. These results show that the time course of color carryover effects can be separated from effects of early color grouping in the preview display: Color grouping is fast, and inhibitory color carryover effects are slow.

  17. Fast Separation and Sensitive Quantitation of Polymethoxylated Flavonoids in the Peels of Citrus Using UPLC-Q-TOF-MS.

    PubMed

    Xing, Tian Tian; Zhao, Xi Juan; Zhang, Yi Dan; Li, Yuan Fang

    2017-03-29

    A rapid, sensitive, and efficient ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) method has been developed to analyze polymethoxylated flavonoids (PMFs) in 14 Citrus peels, including 7 Citrus reticulata (C. reticulata) and 7 Citrus sinensis (C. sinensis). In this study, fast separation can be achieved within 12 min and 42 PMFs have been identified including 33 flavones and 9 flavanones. Most C. reticulata were shown to contain more than 20 PMFs, except Guangxihongpisuanju (GX) containing only 12 PMFs, while most C. sinensis contained fewer than 20 PMFs, except Edangan (EG) containing as many as 32 PMFs. To our knowledge, there are few reports about the quantitation of PMFs using the MS response. Here, a MS quantitative method was established and systematically validated in linearity, precision, and recovery. The linearity was from 1.25 ng/mL to 1.0 μg/mL with the limit of detection (LOD) as low as 75 pg/mL and the limit of quantitation (LOQ) as low as 0.25 ng/mL. Up to 13 PMFs, more types than ever before, were undoubtedly identified and quantitated according to the PMF standards. The results showed that the contents of PMFs in the C. reticulata were generally higher than those in the C. sinensis. This study is systematic for analyzing PMFs and is of great significance because it can provide guidance on utilization of both PMFs and citrus germplasm resources in the future.

  18. Chemical Ordering Modulated Electronic Phase Separation and Macroscopic Properties in Colossal Magnetoresistance Manganites

    NASA Astrophysics Data System (ADS)

    Zhu, Yinyan; Du, Kai; Yin, Lifeng; Shen, Jian; Low-dimensional material physics Team

    Using unit cell by unit cell superlattice growth technique, we determine the role of chemical ordering of the Pr dopant in a colossal magnetoresistance (La1-yPry)1-x CaxMnO3 (LPCMO) system, which has been well known for its large length scale electronic phase separation (EPS) phenomena. Our experimental results show that the chemical ordering of Pr leads to dramatic reduction of the length scale of EPS. Moreover, compared to the conventional Pr-disordered LPCMO system, the Pr-ordered LPCMO system has ~100 K higher metal-insulator transition temperature. We have further investigated the n-dependence of the physical properties of the (LCMO)2n/(PCMO)n superlattices. Magnetic and transport measurements indicate that the physical properties change nonmonotonically with increasing n, reaching a minimum for both the Curie temperature and the meta-insulator transition temperature. The crossover thickness thus reflects the characteristic correlation length scale along the vertical direction of the superlattice. For superlattices with n smaller than the correlation length, we combine MFM studies and model calculations to explain the weakened ferromagnetism and metallicity with increasing n.

  19. Field Evidence for Strong Chemical Separation of Contaminants in the Hanford Vadose Zone

    SciTech Connect

    Conrad, Mark E.; Depaolo, D. J.; Maher, Katharine; Gee, Glendon W.; Ward, Anderson L.

    2007-11-01

    Water and chemical transport from a point source within vadose zone sediments at the Hanford Site in Washington State were examined with a leak test consisting of five 3800-L aliquots of water released at 4.5-m depth every week over a 4-wk period. The third aliquot contained bromide, D2O, and 87Sr. Movement of the tracers was monitored for 9 mo by measuring pore water compositions of samples from boreholes drilled 2 to 8 m from the injection point. Graded sedimentary layers acting as natural capillary barriers caused significant lateral spreading of the leak water. Shortly after injections were completed, D2O was found at the 9- to 11-m depth at levels in excess of 50% of the tracer aliquot concentration, while sediment layers with elevated water content at the 6- to 7-m depth had less than 3% of the D2O tracer concentration, suggesting deep penetration of the D2O tracer and limited mixing between different aliquots of leak fluids. Initially, high bromide concentrations decreased more rapidly over time than D2O, suggesting enhanced transport of bromide due to anion exclusion. No significant increase in 87Sr was detected in the sampled pore water, indicating strong retardation of Sr by the sediments. These results highlight some of the processes strongly affecting chemical transport in the vadose zone and demonstrate the significant separation of contaminant plumes that can occur.

  20. Field evidence for strong chemical separation of contaminants inthe Hanford Vadose Zone

    SciTech Connect

    Conrad, Mark E.; DePaolo, Donald J.; Maher, Katharine; Gee,Glendon W.; Ward, Anderson L.

    2007-04-10

    Water and chemical transport from a point source withinvadose zone sediments at Hanford were examined with a leak testconsisting of five 3800-liter aliquots of water released at 4.5 m depthevery week over a 4-week period. The third aliquot contained bromide, D2Oand 87Sr. Movement of the tracers was monitored for 9 months by measuringpore water compositions of samples from boreholes drilled 2-8 m from theinjection point. Graded sedimentary layers acting as natural capillarybarriers caused significant lateral spreading of the leak water. D2Oconcentrations>50 percent of the concentration in the tracer aliquotwere detected at 9-11 m depth. However, increased water contents, lowerd18O values, and geophysical monitoring of moisture changes at otherdepths signified high concentrations of leak fluids were added where D2Oconcentrations were<3 percent above background, suggesting limitedmixing between different aliquots of the leak fluids. Initially highbromide concentrations decreased more rapidly over time than D2O,suggesting enhanced transport of bromide due to anion exclusion. Nosignificant increase in 87Sr was detected in the sampled pore water,indicating strong retardation of Sr by the sediments. These resultshighlight some of the processes strongly affecting chemical transport inthe vadose zone and demonstrate the significant separation of contaminantplumes that can occur.

  1. The production of chemicals from food processing wastes using a novel fermenter separator

    SciTech Connect

    Dale, M.C.; Havlik, S.; Lee, W.C.; Lineback, D.S.; Park, C.H.; Okos, M.R.

    1990-01-01

    A range of chemicals can be made from fermentation processes, and most fermentations are characterized by product inhibition. As product concentration increases, inhibitory products can substantially limit the rate of fermentation processes. Product recovery costs are a strong function of concentration. It is expensive to recover low levels of product from a fermentation broth. Thus, fermentation costs (which increase with higher product concentration) traditionally must be balanced against product recovery costs (which decrease with product concentration). A novel reactor-separator process has been developed at Purdue University to minimize product inhibition of fermentation rates. This reactor has been shown to exhibit very high productivities --- simultaneously producing and removing a inhibitory product while maintaining a high viable cell concentration in the reactor. The basic objective of this study is to develop an energy efficient and economical process to convert food wastes to usable fuels and chemicals. The work is divided into two major efforts: an applied phase which involves design and building of a whey to ethanol process as well as process design and optimization; and a basic phase which involves investigating alternative fermentation systems and fundamental research on immobilized cell reactor systems. This document discusses the study and its results.

  2. Chemical composition and fuel wood characteristics of fast growing tree species in India

    NASA Astrophysics Data System (ADS)

    Chauhan, S. K.; Soni, R.

    2012-04-01

    India is one of the growing economy in the world and energy is a critical input to sustain the growth of development. Country aims at security and efficiency of energy. Though fossil fuel will continue to play a dominant role in energy scenario but country is committed to global environmental well being thus stressing on environment friendly technologies. Concerns of energy security in this changing climatic situation have led to increasing support for the development of new renewable source of energy. Government though is determined to facilitate bio-energy and many projects have been established but initial after-affects more specifically on the domestic fuelwood are evident. Even the biomass power generating units are facing biomass crisis and accordingly the prices are going up. The CDM projects are supporting the viability of these units resultantly the Indian basket has a large number of biomass projects (144 out of total 506 with 28 per cent CERs). The use for fuelwood as a primary source of energy for domestic purpose by the poor people (approx. 80 per cent) and establishment of bio-energy plants may lead to deforestation to a great extent and only solution to this dilemma is to shift the wood harvest from the natural forests to energy plantations. However, there is conspicuous lack of knowledge with regards to the fuelwood characteristics of fast growing tree species for their selection for energy plantations. The calorific value of the species is important criteria for selection for fuel but it is affected by the proportions of biochemical constituents present in them. The aim of the present work was to study the biomass production, calorific value and chemical composition of different short rotation tree species. The study was done from the perspective of using the fast growing tree species for energy production at short rotation and the study concluded that short rotation tree species like Gmelina arborea, Eucalyptus tereticornis, Pongamia pinnata

  3. Hydrogen and electricity from coal with carbon dioxide separation using chemical looping reactors

    SciTech Connect

    Xiang Wenguo; Chen Yingying

    2007-08-15

    Concern about global climate change has led to research on low CO{sub 2} emission in the process of the energy conversion of fossil fuel. One of the solutions is the conversion of fossil fuel into carbon-free energy carriers, hydrogen, and electricity with CO{sub 2} capture and storage. In this paper, the main purpose is to investigate the thermodynamics performance of converting coal to a hydrogen and electricity system with chemical-looping reactors and to explore the influences of operating parameters on the system performance. Using FeO/Fe{sub 3}O{sub 4} as an oxygen carrier, we propose a carbon-free coproduction system of hydrogen and electricity with chemical-looping reactors. The performance of the new system is simulated using ASPEN PLUS software tool. The influences of the chemical-looping reactor's temperature, steam conversion rate, and O{sub 2}/coal quality ratio on the system performance, and the exergy performance are discussed. The results show that a high-purity of H{sub 2} (99.9%) is reached and that CO{sub 2} can be separated. The system efficiency is 57.85% assuming steam reactor at 815 C and the steam conversion rate 37%. The system efficiency is affected by the steam conversion rate, rising from 53.17 to 58.33% with the increase of the steam conversion rate from 28 to 41%. The exergy efficiency is 54.25% and the losses are mainly in the process of gasification and HRSG. 14 refs., 12 figs., 3 tabs.

  4. Flow processes in overexpanded chemical rocket nozzles. Part 1: Flow separation

    NASA Technical Reports Server (NTRS)

    Schmucker, R. H.

    1973-01-01

    An investigation was made of published nozzle flow separation data in order to determine the parameters which affect the separation condition. A comparison of experimental data with empirical and theoretical separation prediction methods leads to the selection of suitable equations for the separation criterion. The results were used to predict flow separation of the main space shuttle engine.

  5. Flow processes in overexpanded chemical rocket nozzles. Part 1: Flow separation

    NASA Technical Reports Server (NTRS)

    Schmucker, R. H.

    1984-01-01

    An investigation was made of published nozzle flow separation data in order to determine the parameters which affect the separation conditions. A comparison of experimental data with empirical and theoretical separation prediction methods leads to the selection of suitable equations for the separation criterion. The results were used to predict flow separation of the main space shuttle engine.

  6. Reduced chemical and electrical connections of fast-spiking interneurons in experimental cortical dysplasia.

    PubMed

    Zhou, Fu-Wen; Roper, Steven N

    2014-09-15

    Aberrant neural connections are regarded as a principal factor contributing to epileptogenesis. This study examined chemical and electrical connections between fast-spiking (FS), parvalbumin (PV)-immunoreactive (FS-PV) interneurons and regular-spiking (RS) neurons (pyramidal neurons or spiny stellate neurons) in a rat model of prenatal irradiation-induced cortical dysplasia. Presynaptic action potentials were evoked by current injection and the elicited unitary inhibitory or excitatory postsynaptic potentials (uIPSPs or uEPSPs) were recorded in the postsynaptic cell. In dysplastic cortex, connection rates between presynaptic FS-PV interneurons and postsynaptic RS neurons and FS-PV interneurons, and uIPSP amplitudes were significantly smaller than controls, but both failure rates and coefficient of variation of uIPSP amplitudes were larger than controls. In contrast, connection rates from RS neurons to FS-PV interneurons and uEPSPs amplitude were similar in the two groups. Assessment of the paired pulse ratio showed a significant decrease in synaptic release probability at FS-PV interneuronal terminals, and the density of terminal boutons on axons of biocytin-filled FS-PV interneurons was also decreased, suggesting presynaptic dysfunction in chemical synapses formed by FS-PV interneurons. Electrical connections were observed between FS-PV interneurons, and the connection rates and coupling coefficients were smaller in dysplastic cortex than controls. In dysplastic cortex, we found a reduced synaptic efficiency for uIPSPs originating from FS-PV interneurons regardless of the type of target cell, and impaired electrical connections between FS-PV interneurons. This expands our understanding of the fundamental impairment of inhibition in this model and may have relevance for certain types of human cortical dysplasia.

  7. Determination of cadmium in water samples by fast pyrolysis-chemical vapor generation atomic fluorescence spectrometry

    NASA Astrophysics Data System (ADS)

    Zhang, Jingya; Fang, Jinliang; Duan, Xuchuan

    2016-08-01

    A pyrolysis-vapor generation procedure to determine cadmium by atomic fluorescence spectrometry has been established. Under fast pyrolysis, cadmium ion can be reduced to volatile cadmium species by sodium formate. The presence of thiourea enhanced the efficiency of cadmium vapor generation and eliminated the interference of copper. The possible mechanism of vapor generation of cadmium was discussed. The optimization of the parameters for pyrolysis-chemical vapor generation, including pyrolysis temperature, amount of sodium formate, concentration of hydrochloric acid, and carrier argon flow rate were carried out. Under the optimized conditions, the absolute and concentration detection limits were 0.38 ng and 2.2 ng ml- 1, respectively, assuming that 0.17 ml of sample was injected. The generation efficiency of was 28-37%. The method was successfully applied to determine trace amounts of cadmium in two certified reference materials of Environmental Water (GSB07-1185-2000 and GSBZ 50009-88). The results were in good agreement with the certified reference values.

  8. Fast 3D Chemical Exchange Saturation Transfer (CEST) Imaging of the Human Brain

    PubMed Central

    Zhu, He; Jones, Craig K.; van Zijl, Peter C. M.; Barker, Peter B.; Zhou, Jinyuan

    2010-01-01

    Chemical exchange saturation transfer (CEST) MRI can detect low-concentration compounds with exchangeable protons through saturation transfer to water. CEST imaging is generally slow, as it requires acquisition of saturation images at multiple frequencies. In addition, multi-slice imaging is complicated by saturation effects differing from slice to slice because of relaxation losses. In this study, a fast three-dimensional (3D) CEST imaging sequence is presented that allows whole-brain coverage for a frequency-dependent saturation spectrum (z-spectrum, 26 frequencies) in less than 10 min. The approach employs a 3D gradient- and spin-echo (GRASE) readout using a prototype 32-channel phased-array coil, combined with two-dimensional SENSE accelerations. Results from a homogenous protein-containing phantom at 3T show that the sequence produced a uniform contrast across all slices. To show translational feasibility, scans were also performed on five healthy human subjects. Results for CEST images at 3.5ppm downfield of the water resonance, so-called amide proton transfer (APT) images, show that lipid signals are sufficiently suppressed and artifacts caused by B0 inhomogeneity can be removed in post-processing. The scan time and image quality of these in vivo results show that 3D CEST MRI using GRASE acquisition is feasible for whole-brain CEST studies at 3T in a clinical time frame. PMID:20632402

  9. Establishment of a Fast Chemical Identification System for screening of counterfeit drugs of macrolide antibiotics.

    PubMed

    Hu, Chang-Qin; Zou, Wen-Buo; Hu, Wang-Sheng; Ma, Xiao-Kang; Yang, Min-Zhi; Zhou, Shi-Lin; Sheng, Jin-Fang; Li, Yuan; Cheng, Shuang-Hong; Xue, Jing

    2006-01-23

    A Fast Chemical Identification System (FCIS) consisting of two colour reactions based on functional groups in molecules of macrolide antibiotics and two TLC methods was developed for screening of fake macrolide drugs. The active ingredients could be extracted from their oral preparations by absolute alcohol. Sulfuric acid reaction as a common reaction of macrolides was first used to distinguish the macrolides from other types of drugs and then 16-membered macrolides and 14-membered ones were distinguished by potassium permanganate reactions depending on the time of loss of colour in the test solution; after which a TLC method carried out on a GF(254) plate (5 cm x 10 cm) was chosen to further identification of the macrolides. The mobile phase A consisting of ethyl acetate, hexane and ammonia (100:15:15, v/v) was used for the identification of 14-membered macrolides, and the mobile phase B consisting of trichloromethane, methanol and ammonia (100:5:1, v/v) was used for the identification of 16-membered ones. A suspected counterfeit macrolide preparation can be identified within 40 min. The system can be used under different conditions and has the virtues of robustness, simplicity and speed.

  10. Fast simulation and optimization of pulse-train chemical exchange saturation transfer (CEST) imaging.

    PubMed

    Xiao, Gang; Sun, Phillip Zhe; Wu, Renhua

    2015-06-21

    Chemical exchange saturation transfer (CEST) MRI has been increasingly applied to detect dilute solutes and physicochemical properties, with promising in vivo applications. Whereas CEST imaging has been implemented with continuous wave (CW) radio-frequency irradiation on preclinical scanners, pulse-train irradiation is often chosen on clinical systems. Therefore, it is necessary to optimize pulse-train CEST imaging, particularly important for translational studies. Because conventional Bloch-McConnell formulas are not in the form of homogeneous differential equations, the routine simulation approach simulates the evolving magnetization step by step, which is time consuming. Herein we developed a computationally efficient numerical solution using matrix iterative analysis of homogeneous Bloch-McConnell equations. The proposed algorithm requires simulation of pulse-train CEST MRI magnetization within one irradiation repeat, with 99% computation time reduction from that of conventional approach under typical experimental conditions. The proposed solution enables determination of labile proton ratio and exchange rate from pulse-train CEST MRI experiment, within 5% from those determined from quantitative CW-CEST MRI. In addition, the structural similarity index analysis shows that the dependence of CEST contrast on saturation pulse flip angle and duration between simulation and experiment was 0.98 ± 0.01, indicating that the proposed simulation algorithm permits fast optimization and quantification of pulse-train CEST MRI.

  11. A 3D Chemically Modified Graphene Hydrogel for Fast, Highly Sensitive, and Selective Gas Sensor

    PubMed Central

    Wu, Jin; Tao, Kai; Guo, Yuanyuan; Li, Zhong; Wang, Xiaotian; Luo, Zhongzhen; Du, Chunlei; Chen, Di; Norford, Leslie K.

    2016-01-01

    Reduced graphene oxide (RGO) has proved to be a promising candidate in high‐performance gas sensing in ambient conditions. However, trace detection of different kinds of gases with simultaneously high sensitivity and selectivity is challenging. Here, a chemiresistor‐type sensor based on 3D sulfonated RGO hydrogel (S‐RGOH) is reported, which can detect a variety of important gases with high sensitivity, boosted selectivity, fast response, and good reversibility. The NaHSO3 functionalized RGOH displays remarkable 118.6 and 58.9 times higher responses to NO2 and NH3, respectively, compared with its unmodified RGOH counterpart. In addition, the S‐RGOH sensor is highly responsive to volatile organic compounds. More importantly, the characteristic patterns on the linearly fitted response–temperature curves are employed to distinguish various gases for the first time. The temperature of the sensor is elevated rapidly by an imbedded microheater with little power consumption. The 3D S‐RGOH is characterized and the sensing mechanisms are proposed. This work gains new insights into boosting the sensitivity of detecting various gases by combining chemical modification and 3D structural engineering of RGO, and improving the selectivity of gas sensing by employing temperature dependent response characteristics of RGO for different gases. PMID:28331786

  12. A Simple and Fast Approach for Predicting 1H and 13C Chemical Shifts: Toward Chemical Shift-Guided Simulations of RNA

    PubMed Central

    2014-01-01

    We introduce a simple and fast approach for predicting RNA chemical shifts from interatomic distances that performs with an accuracy similar to existing predictors and enables the first chemical shift-restrained simulations of RNA to be carried out. Our analysis demonstrates that the applied restraints can effectively guide conformational sampling toward regions of space that are more consistent with chemical shifts than the initial coordinates used for the simulations. As such, our approach should be widely applicable in mapping the conformational landscape of RNAs via chemical shift-guided molecular dynamics simulations. The simplicity and demonstrated sensitivity to three-dimensional structure should also allow our method to be used in chemical shift-based RNA structure prediction, validation, and refinement. PMID:25255209

  13. The chemical enhancement of the triboelectric separation of coal from pyrite and ash: A novel approach for electrostatic separation of mineral matter from coal

    SciTech Connect

    Gustafson, R.M.; DiMare, S.; Sabatini, J.

    1992-02-01

    Arthur D. Little, Inc., under contract to the US DOE Pittsburgh Energy Technology Center, has developed a triboelectric separation device for coal beneficiation, that employs an entrained-flow, rotating-cylinder concept. The described apparatus has been used to test the efficacy of chemical pretreatment and in-situ treatment of coal on separation efficiency. Coal particle entrainment is achieved with gaseous carbon dioxide and particle collection is accomplished by an electrostatic plate separator. The triboelectric separation device incorporates instrumentation for the direct measurement of charge in the dilute-phase particle stream. Some of the pretreatment materials investigated under this project to modify the surface charging characteristics of the coal included oleic acid, sodium oleate, quinoline and dicyclohexylamine. Ammonia and sulfur dioxide at a concentration up to 1000 ppM was used for in-situ treatment of the coal, with carbon dioxide as the carrier/inerting gas. Nitrogen was used earlier in the test program as the carrier/inerting gas for the coal, but a severe arcing problem was encountered in the electrostatic collector with nitrogen as the carrier gas. This problem did not occur when carbon dioxide was used. The report covers the chemical treatment employed, and summarizes and interprets the results achieved. In addition, an economic analysis of a full scale system based on this concept is presented.

  14. The chemical enhancement of the triboelectric separation of coal from pyrite and ash: A novel approach for electrostatic separation of mineral matter from coal. Final report

    SciTech Connect

    Gustafson, R.M.; DiMare, S.; Sabatini, J.

    1992-02-01

    Arthur D. Little, Inc., under contract to the US DOE Pittsburgh Energy Technology Center, has developed a triboelectric separation device for coal beneficiation, that employs an entrained-flow, rotating-cylinder concept. The described apparatus has been used to test the efficacy of chemical pretreatment and in-situ treatment of coal on separation efficiency. Coal particle entrainment is achieved with gaseous carbon dioxide and particle collection is accomplished by an electrostatic plate separator. The triboelectric separation device incorporates instrumentation for the direct measurement of charge in the dilute-phase particle stream. Some of the pretreatment materials investigated under this project to modify the surface charging characteristics of the coal included oleic acid, sodium oleate, quinoline and dicyclohexylamine. Ammonia and sulfur dioxide at a concentration up to 1000 ppM was used for in-situ treatment of the coal, with carbon dioxide as the carrier/inerting gas. Nitrogen was used earlier in the test program as the carrier/inerting gas for the coal, but a severe arcing problem was encountered in the electrostatic collector with nitrogen as the carrier gas. This problem did not occur when carbon dioxide was used. The report covers the chemical treatment employed, and summarizes and interprets the results achieved. In addition, an economic analysis of a full scale system based on this concept is presented.

  15. Particulate and dissolved phosphorus chemical separation and phosphorus release from treated dairy manure.

    PubMed

    Dao, Thanh H; Daniel, Tommy C

    2002-01-01

    In confined animal feeding operations, liquid manure systems present special handling and storage challenges because of the large volume of diluted wastes. Water treatment polymers and mineral phosphorus (P) immobilizing chemicals [AI2(SO4)3 x 18H2O, FeCl3-6H2O, and Class C fly ash] were used to determine particulate and dissolved reactive phosphorus (DRP) reduction mechanisms in high total suspended solid (TSS) dairy manure and the P release from treated manure and amended soils. Co-application exceeded the aggregation level achieved with individual manure amendments and resulted in 80 and 90% reduction in metal salt and polymer rates, respectively. At marginally effective polymer rates between 0.01 and 0.25 g L(-1), maximal aggregation was attained in combination with 1 and 10 g L(-1) of aluminum sulfate (3 and 30 mmol Al3+ L(-1)) and iron chloride (3.7 and 37 mmol Fe3+ L(-1)) in 30 g L(-1) (TSS30) and 100 g L(-1) TSS (TSS100) suspensions, respectively. Fly ash induced particulate destabilization at rates > or = 50 g L(-1) and reduced solution-phase DRP at all rates > or = 1 g L(-1) by 52 and 71% in TSS30 and TSS100 suspensions, respectively. Aluminum and Fe salts also lowered DRP at rates < or = 10 g L(-1) and higher concentrations redispersed particulates and increased DRP due to increased suspension acidity and electrical conductivity. The DRP release from treated manure solids and a Typic Paleudult amended with treated manure was reduced, although the amendments increased Mehlich 3-extractable P. Therefore, the synergism of flocculant types allowed input reduction in aggregation aid chemicals, enhancing particulate and dissolved P separation and immobilization in high TSS liquid manure.

  16. Multi-element analysis of manganese nodules by atomic absorption spectrometry without chemical separation

    USGS Publications Warehouse

    Kane, J.S.; Harnly, J.M.

    1982-01-01

    Five manganese nodules, including the USGS reference nodules A-1 and P-1, were analyzed for Co, Cu, Fe, K, Mg, Mn, Na, Ni and Zn without prior chemical separation by using a simultaneous multi-element atomic absorption spectrometer with an air-cetylene flame. The nodules were prepared in three digestion matrices. One of these solutions was measured using sixteen different combinations of burner height and air/acetylene ratios. Results for A-1 and P-1 are compared to recommended values and results for all nodules are compared to those obtained with an inductively coupled plasma. The elements Co, Cu, Fe, K, Mg, Mn, Na, Ni, and Zn are simultaneously determined with a composite recovery for all elements of 100 ?? 7%, independent of the digestion matrices, heights in the flame, or flame stoichiometries examined. Individual recoveries for Co, K, and Ni are considerably poorer in two digests than this composite figure, however. The optimum individual recoveries of 100 ?? 5% and imprecisions of 1-4%, except for zinc, are obtained when Co, K, Mn, Na and Ni are determined simultaneously in a concentrated digest, and in another analytical sequence, when Cu, Fe, Mg, Mn and Zn are measured simultaneously after dilution. Determination of manganese is equally accurate in the two sequences; its measurement in both assures internal consistency between the two measurement sequences. This approach improves analytical efficiency over that for conventional atomic absorption methods, while minimizing loss of accuracy or precision for individual elements. ?? 1982.

  17. Physiological and chemical analysis of neurotransmitter candidates at a fast excitatory synapse in the jellyfish Cyanea capillata (Cnidaria, Scyphozoa).

    PubMed

    Anderson, Peter A V; Trapido-Rosenthal, H G

    2009-12-01

    Motor nerve net (MNN) neurons in the jellyfish Cyanea capillata communicate with one another by way of fast, bidirectional excitatory chemical synapses. As is the case with almost all identified chemical synapses in cnidarians, the identity of the neurotransmitter at these synapses is unclear. MNN neurons are large enough for stable intracellular recordings. This, together with the fact that they can be exposed, providing unlimited access to them and to their synapses, prompted a study of the action of a variety of neurotransmitter candidates, including those typically associated with fast synapses in higher animals. Only the amino acids taurine and beta-alanine produced physiological responses consistent with those of the normal EPSP in these cells. Moreover, chemical analysis revealed that both taurine and beta-alanine are present in the neurons and released by depolarization. These various findings strongly suggest that either or both of these amino acids, or a closely related compound is the neurotransmitter at the fast chemical synapses between MNN neurons.

  18. Chemical process to separate iron oxides particles in pottery sample for EPR dating.

    PubMed

    Watanabe, S; Farias, T M B; Gennari, R F; Ferraz, G M; Kunzli, R; Chubaci, J F D

    2008-12-15

    Ancient potteries usually are made of the local clay material, which contains relatively high concentration of iron. The powdered samples are usually quite black, due to magnetite, and, although they can be used for thermoluminescene (TL) dating, it is easiest to obtain better TL reading when clearest natural or pre-treated sample is used. For electron paramagnetic resonance (EPR) measurements, the huge signal due to iron spin-spin interaction, promotes an intense interference overlapping any other signal in this range. Sample dating is obtained by dividing the radiation dose, determined by the concentration of paramagnetic species generated by irradiation, by the natural dose so as a consequence, EPR dating cannot be used, since iron signal do not depend on radiation dose. In some cases, the density separation method using hydrated solution of sodium polytungstate [Na6(H2W12O40).H2O] becomes useful. However, the sodium polytungstate is very expensive in Brazil; hence an alternative method for eliminating this interference is proposed. A chemical process to eliminate about 90% of magnetite was developed. A sample of powdered ancient pottery was treated in a mixture (3:1:1) of HCl, HNO(3) and H(2)O(2) for 4h. After that, it was washed several times in distilled water to remove all acid matrixes. The original black sample becomes somewhat clearer. The resulting material was analyzed by plasma mass spectrometry (ICP-MS), with the result that the iron content is reduced by a factor of about 9. In EPR measurements a non-treated natural ceramic sample shows a broad spin-spin interaction signal, the chemically treated sample presents a narrow signal in g=2.00 region, possibly due to a radical of (SiO(3))(3-), mixed with signal of remaining iron [M. Ikeya, New Applications of Electron Spin Resonance, World Scientific, Singapore, 1993, p. 285]. This signal increases in intensity under gamma-irradiation. However, still due to iron influence, the additive method yielded too

  19. Chemical process to separate iron oxides particles in pottery sample for EPR dating

    NASA Astrophysics Data System (ADS)

    Watanabe, S.; Farias, T. M. B.; Gennari, R. F.; Ferraz, G. M.; Kunzli, R.; Chubaci, J. F. D.

    2008-12-01

    Ancient potteries usually are made of the local clay material, which contains relatively high concentration of iron. The powdered samples are usually quite black, due to magnetite, and, although they can be used for thermoluminescene (TL) dating, it is easiest to obtain better TL reading when clearest natural or pre-treated sample is used. For electron paramagnetic resonance (EPR) measurements, the huge signal due to iron spin-spin interaction, promotes an intense interference overlapping any other signal in this range. Sample dating is obtained by dividing the radiation dose, determined by the concentration of paramagnetic species generated by irradiation, by the natural dose so as a consequence, EPR dating cannot be used, since iron signal do not depend on radiation dose. In some cases, the density separation method using hydrated solution of sodium polytungstate [Na 6(H 2W 12O 40)·H 2O] becomes useful. However, the sodium polytungstate is very expensive in Brazil; hence an alternative method for eliminating this interference is proposed. A chemical process to eliminate about 90% of magnetite was developed. A sample of powdered ancient pottery was treated in a mixture (3:1:1) of HCl, HNO 3 and H 2O 2 for 4 h. After that, it was washed several times in distilled water to remove all acid matrixes. The original black sample becomes somewhat clearer. The resulting material was analyzed by plasma mass spectrometry (ICP-MS), with the result that the iron content is reduced by a factor of about 9. In EPR measurements a non-treated natural ceramic sample shows a broad spin-spin interaction signal, the chemically treated sample presents a narrow signal in g = 2.00 region, possibly due to a radical of (SiO 3) 3-, mixed with signal of remaining iron [M. Ikeya, New Applications of Electron Spin Resonance, World Scientific, Singapore, 1993, p. 285]. This signal increases in intensity under γ-irradiation. However, still due to iron influence, the additive method yielded too

  20. Chemical shift-based water/fat separation in the presence of susceptibility-induced fat resonance shift

    PubMed Central

    Karampinos, Dimitrios C.; Yu, Huanzhou; Shimakawa, Ann; Link, Thomas M.; Majumdar, Sharmila

    2011-01-01

    Chemical shift-based water/fat separation methods have been emerging due to the growing clinical need for fat quantification in different body organs. Accurate quantification of proton-density fat fraction requires the assessment of many confounding factors, including the need of modeling the presence of multiple peaks in the fat spectrum. Most recent quantitative chemical shift-based water/fat separation approaches rely on a multi-peak fat spectrum with pre-calibrated peak locations and pre-calibrated or self-calibrated peak relative amplitudes. However, water/fat susceptibility differences can induce fat spectrum resonance shifts depending on the shape and orientation of the fatty inclusions. The effect is of particular interest in the skeletal muscle due to the anisotropic arrangement of extracellular lipids. In the present work, the effect of susceptibility-induced fat resonance shift on the fat fraction is characterized in a conventional complex-based chemical shift-based water/fat separation approach that does not model the susceptibility-induced fat resonance shift. A novel algorithm is then proposed in order to quantify the resonance shift in a complex-based chemical shift-based water/fat separation approach that considers the fat resonance shift in the signal model, aiming to extract information about the orientation/geometry of lipids. The technique is validated in a phantom and preliminary in vivo results are shown in the calf musculature of healthy and diabetic subjects. PMID:22247024

  1. Comprehensive chemical analysis of the rhizomes of Drynaria fortunei by orthogonal pre-separation and liquid chromatography mass spectrometry.

    PubMed

    Qiao, Xue; Lin, Xiong-hao; Liang, Yong-hong; Dong, Jing; Guo, De-an; Ye, Min

    2014-03-01

    The chemical composition of Drynaria fortunei, a traditional Chinese herbal medicine, is very complicated. In order to separate these chemicals to obtain their structural information, an orthogonal sample enrichment procedure was established. The ethyl acetate extract of D. fortunei was pre-separated by Sephadex LH-20 × polyamide columns to yield 15 fractions. These fractions were analyzed successively using a reversed-phase Agilent Zorbax SB-C18 column, coupled with diode array detection and electrospray ionization tandem mass spectrometry. The method reduced co-elution and enriched minor compounds on the basis of their chemical features. A total of 369 compounds were detected by LC/MSn, compared to less than 50 compounds without pre-separation. The pretreatment facilitated the analytical separation of flavonoids, proanthocyanidins, triterpenoids, phenolic acids, and lignans in D. fortunei, and allowed a comprehensive chemical profiling of these constituents. This method could be applied to other multicomponent herbal extracts. Georg Thieme Verlag KG Stuttgart · New York.

  2. Highly Cross-Linked Epoxy Nanofiltration Membranes for the Separation of Organic Chemicals and Fish Oil Ethyl Esters.

    PubMed

    Gilmer, Chad M; Bowden, Ned B

    2016-09-14

    Membrane separations are highly desired for the chemical industry because they are inexpensive, avoid the use of heat, can be applied to the purification of a wide range of chemicals, and can be scaled to industrial levels. Separating chemicals with molecular weights between 100 and 300 g mol(-1) remains a significant challenge in the field of organic solvent nanofiltration (OSN) due to their similar sizes and rotational flexibility. In this work, we report the fabrication of poly(epoxy) membranes that show excellent selectivity of over 100:1 for chemicals in this range. The membranes are easily tuned to obtain different flux and selectivity by using interchangeable amine and epoxide monomers. These membranes were used to separate the important nutritional omega-3 fatty acid ethyl esters eicosapentaenoic ethyl ester (EPA-EE) and docosahexaenoic acid ethyl ester (DHA-EE) from each other, despite a small difference in molecular weight (26 g mol(-1)). This is the first example of a separation of EPA-EE and DHA-EE using a membrane process.

  3. Hybrid microfluidics: a digital-to-channel interface for in-line sample processing and chemical separations.

    PubMed

    Abdelgawad, Mohamed; Watson, Michael W L; Wheeler, Aaron R

    2009-04-21

    Microchannels can separate analytes faster with higher resolution, higher efficiency and with lower reagent consumption than typical column techniques. Unfortunately, an impediment in the path toward fully integrated microchannel-based labs-on-a-chip is the integration of pre-separation sample processing. Although possible in microchannels, such steps are challenging because of the difficulty in maintaining spatial control over many reagents simultaneously. In contrast, the alternative format of digital microfluidics (DMF), in which discrete droplets are manipulated on an array of electrodes, is well-suited for carrying out sequential chemical reactions. Here, we report the development of the first digital-channel hybrid microfluidic device for integrated pre-processing reactions and chemical separations. The device was demonstrated to be useful for on-chip labeling of amino acids and primary amines in cell lysate, as well as enzymatic digestion of peptide standards, followed by separation in microchannels. Given the myriad applications requiring pre-processing and chemical separations, the hybrid digital-channel format has the potential to become a powerful new tool for micro total analysis systems.

  4. Renovation of CPF (Chemical Processing Facility) for Development of Advanced Fast Reactor Fuel Cycle System

    SciTech Connect

    Shinichi Aose; Takafumi Kitajima; Kouji Ogasawara; Kazunori Nomura; Shigehiko Miyachi; Yoshiaki Ichige; Tadahiro Shinozaki; Shinichi Ohuchi

    2008-01-15

    CPF (Chemical Processing Facility) was constructed at Nuclear Fuel Cycle Engineering Laboratories of JAEA (Japan Atomic Energy Agency) in 1980 as a basic research field where spent fuel pins from fast reactor (FR) and high level liquid waste can be dealt with. The renovation consists of remodeling of the CA-3 cell and the laboratory A, installation of globe boxes, hoods and analytical equipments to the laboratory C and the analytical laboratory. Also maintenance equipments in the CA-5 cell which had been out of order were repaired. The CA-3 cell is the main cell in which important equipments such as a dissolver, a clarifier and extractors are installed for carrying out the hot test using the irradiated FR fuel. Since the CPF had specialized originally in the research function for the Purex process, it was desired to execute the research and development of such new, various reprocessing processes. Formerly, equipments were arranged in wide space and connected with not only each other but also with utility supply system mainly by fixed stainless steel pipes. It caused shortage of operation space in flexibility for basic experimental study. Old equipments in the CA-3 cell including vessels and pipes were removed after successful decontamination, and new equipments were installed conformably to the new design. For the purpose of easy installation and rearranging the experimental equipments, equipments are basically connected by flexible pipes. Since dissolver is able to be easily replaced, various dissolution experiments is conducted. Insoluble residue generated by dissolution of spent fuel is clarified by centrifugal. This small apparatus is effective to space-saving. Mini mixer settlers or centrifugal contactors are put on to the prescribed limited space in front of the backside wall. Fresh reagents such as solvent, scrubbing and stripping solution are continuously fed from the laboratory A to the extractor by the reagent supply system with semi-automatic observation

  5. Burst and Principal Components Analyses of MEA Data Separates Chemicals by Class

    EPA Science Inventory

    Microelectrode arrays (MEAs) detect drug and chemical induced changes in action potential "spikes" in neuronal networks and can be used to screen chemicals for neurotoxicity. Analytical "fingerprinting," using Principal Components Analysis (PCA) on spike trains recorded from prim...

  6. Burst and Principal Components Analyses of MEA Data Separates Chemicals by Class

    EPA Science Inventory

    Microelectrode arrays (MEAs) detect drug and chemical induced changes in action potential "spikes" in neuronal networks and can be used to screen chemicals for neurotoxicity. Analytical "fingerprinting," using Principal Components Analysis (PCA) on spike trains recorded from prim...

  7. High-throughput chemical residue analysis by fast extraction and dilution flow injection mass spectrometry.

    PubMed

    Nanita, Sergio C

    2011-01-21

    Fast extraction and dilution flow injection mass spectrometry (FED-FI-MS) is presented as a technique to increase throughput in quantitative multiresidue screening in complex matrices, while meeting current analytical method quality requirements.

  8. Extension of the two-dimensional mass channel cluster plot method to fast separations utilizing low thermal mass gas chromatography with time-of-flight mass spectrometry.

    PubMed

    Fitz, Brian D; Synovec, Robert E

    2016-03-24

    Implementation of a data reduction and visualization method for use with high-speed gas chromatography and time-of-flight mass spectrometry (GC-TOFMS) is reported. The method, called the "2D m/z cluster method" facilitates analyte detection, deconvolution, and identification, by accurately measuring peak widths and retention times using a fast TOFMS sampling frequency (500 Hz). Characteristics and requirements for high speed GC are taken into consideration: fast separations with narrow peak widths and high peak capacity, rapid data collection rate, and effective peak deconvolution. Transitioning from standard GC (10-60+ minute separations) to fast GC (1-10 min separations) required consideration of how to properly analyze the data. This report validates use of the 2D m/z cluster method with newly developed GC technology that produces ultra-fast separations (∼1 min) with narrow analyte peak widths. Low thermal mass gas chromatography (LTM-GC) operated at a heating rate of 250 °C/min coupled to a LECO Pegasus III TOFMS analyzed a 115 component test mixture in 120 s with peak widths-at-base, wb (4σ), of 350 ms (average) to produce a separation with a high peak capacity, nc ∼ 340 (at unit resolution Rs = 1). The 2D m/z cluster method is shown to separate overlapped analytes to a limiting Rs ∼ 0.03, so the effective peak capacity was increased nearly 30-fold to nc ∼10,000 in the 120 s separation. The method, when coupled with LTM-GC-TOFMS, is demonstrated to provide unambiguous peak rank (i.e. the number of analytes per overlapped peak in the total ion current (TIC)), by visualizing locations of pure and chromatographically overlapped m/z. Hence, peak deconvolution and identification using MCR-ALS (multivariate curve resolution - alternating least squares) is demonstrated. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Carbon Dioxide Separation Technology: R&D Needs for the Chemical and Petrochemical Industries

    SciTech Connect

    none,

    2007-11-01

    This report, the second in a series, is designed to summarize and present recommendations for improved CO2 separation technology for industrial processes. This report provides an overview of 1) the principal CO2 producing processes, 2) the current commercial separation technologies and 3) emerging adsorption and membrane technologies for CO2 separation, and makes recommendations for future research.

  10. Auto-FACE: An NMR Based Binding Site Mapping Program for Fast Chemical Exchange Protein-Ligand Systems

    PubMed Central

    Krishnamoorthy, Janarthanan; Yu, Victor C. K.; Mok, Yu-Keung

    2010-01-01

    Background Nuclear Magnetic Resonance (NMR) spectroscopy offers a variety of experiments to study protein-ligand interactions at atomic resolution. Among these experiments, N Heteronuclear Single Quantum Correlation (HSQC) experiment is simple, less time consuming and highly informative in mapping the binding site of the ligand. The interpretation of N HSQC becomes ambiguous when the chemical shift perturbations are caused by non-specific interactions like allosteric changes and local structural rearrangement. Under such cases, detailed chemical exchange analysis based on chemical shift perturbation will assist in locating the binding site accurately. Methodology/Principal Findings We have automated the mapping of binding sites for fast chemical exchange systems using information obtained from N HSQC spectra of protein serially titrated with ligand of increasing concentrations. The automated program Auto-FACE (Auto-FAst Chemical Exchange analyzer) determines the parameters, e.g. rate of change of perturbation, binding equilibrium constant and magnitude of chemical shift perturbation to map the binding site residues. Interestingly, the rate of change of perturbation at lower ligand concentration is highly sensitive in differentiating the binding site residues from the non-binding site residues. To validate this program, the interaction between the protein and the ligand BH3I-1 was studied. Residues in the hydrophobic BH3 binding groove of were easily identified to be crucial for interaction with BH3I-1 from other residues that also exhibited perturbation. The geometrically averaged equilibrium constant () calculated for the residues present at the identified binding site is consistent with the values obtained by other techniques like isothermal calorimetry and fluorescence polarization assays (). Adjacent to the primary site, an additional binding site was identified which had an affinity of 3.8 times weaker than the former one. Further NMR based model fitting for

  11. Rapid sample digestion by fusion and chemical separation of Hf for isotopic analysis by MC-ICPMS.

    PubMed

    Ulfbeck, David; Baker, Joel; Waight, Tod; Krogstad, Eirik

    2003-02-06

    A new method for rapid sample digestion and efficient chemical separation of Hf and REE from rock samples for precise isotopic analysis is presented. Samples are digested by fusion in the presence of a lithium borate flux at 1100 degrees C and dissolved whilst molten in dilute nitric or hydrochloric acid. Prior to chemical separation using ion exchange techniques, Li and B from the flux material and Si from the sample are separated from the remaining major elements, REE and high field strength elements (HFSE) in the sample by Fe-hydroxide co-precipitation. The chemical separation of Hf is a two-stage procedure designed to first remove the remaining matrix elements (e.g. Fe, Ba) in the sample using standard cation exchange techniques, followed by separation of Hf from the REE and HFSE on TEVA extraction chromatographic resin. Hf yields are >90% and total procedural blanks are ca. 50 pg. Hf isotope ratios of a synthetic standard solution and replicate digestions of international rock standards BHVO-1 and BCR-1 measured on multi-collector inductively coupled plasma mass spectrometer (MC-ICPMS) reproduce similarly to separating Nd from the REE fraction for isotopic analysis and, potentially, may be adapted for measurement of Lu/Hf ratios by isotope dilution techniques.

  12. Extraction and separation of nickel and cobalt from saprolite laterite ore by microwave-assisted hydrothermal leaching and chemical deposition

    NASA Astrophysics Data System (ADS)

    Zhao, Yan; Gao, Jian-ming; Yue, Yi; Peng, Ben; Que, Zai-qing; Guo, Min; Zhang, Mei

    2013-07-01

    Extraction and separation of nickel and cobalt from saprolite laterite ore were studied by using a method of microwave-assisted hydrothermal leaching and chemical deposition. The effects of leaching temperature and time on the extraction efficiencies of Ni2+ and Co2+ were investigated in detail under microwave conditions. It is shown that the extraction efficiencies of Ni2+ and Co2+ from the ore pre-roasted at 300°C for 5 h were 89.19% and 61.89% when the leaching temperature and time were about 70°C and 60 min, respectively. For the separation process of Ni and Co, the separation of main chemical components was performed by adjusting the pH values of sulfuric leaching solutions using a NaOH solution based on the different pH values of precipitation for metal hydroxides. The final separation efficiencies of Ni and Co were 77.29% and 65.87%, respectively. Furthermore, the separation efficiencies of Fe of 95.36% and Mg of 92.2% were also achieved at the same time.

  13. Separation and concentration of natural products by fast forced adsorption using well-dispersed velvet-like graphitic carbon nitride with response surface methodology optimisation.

    PubMed

    Ding, Xinru; Zhu, Jun; Zhang, Yue; Xia, Qian; Bi, Wentao; Yang, Xiaodi; Yang, Jinfei

    2016-07-01

    Well-dispersed velvet-like graphitic carbon nitride nanoparticles with a large surface area were prepared and utilized for separation and concentration of bioactive compounds from fruit extracts by fast (20s) forced adsorption. The large surface area, enhanced non-covalent interactions of this nanoparticle with bioactive compounds and good dispersity in different solvents benefited its application as a good sorbent. To evaluate their adsorption capabilities, these carbon nitride nanoparticles were used for separation and concentration of flavonoids from fruit extracts by a forced-adsorption dispersive solid phase extraction method. The combined use of this nanoparticle and our experimental conditions showed excellent precision (3.6-4.7%) and sensitivity (limits of detection (S/N=3): 0.6-3.75ng/mL). This research provides an alternative strategy to prepare suitable sorbents for adsorption, separation and concentration of various compounds from different extracts.

  14. Separate and unequal: the influence of neighborhood and school characteristics on spatial proximity between fast food and schools.

    PubMed

    Kwate, Naa Oyo A; Loh, Ji Meng

    2010-08-01

    Social science and health literature have identified residential segregation as a critical factor in exposure to health-related resources, including food environments. Differential spatial patterning of food environments surrounding schools has significant import for youth. We examined whether fast food restaurants clustered around schools in New York City, and whether any observed clustering varied as a function of school type, school racial demographics, and area racial and socioeconomic demographics. We geocoded fast food locations from 2006 (n=817) and schools from 2004-2005 (n=2096; public and private, elementary and secondary) in the five boroughs of New York City. A point process model (inhomogeneous cross-K function) examined spatial clustering. A minimum of 25% of schools had a fast food restaurant within 400 m. High schools had higher fast food clustering than elementary schools. Public elementary and high schools with large proportions of Black students or in block groups with large proportions of Black residents had higher clustering than White counterparts. Finally, public high schools had higher clustering than private counterparts, with 1.25 to 2 times as many restaurants than expected by chance. The results suggest that the geography of opportunity as it relates to school food environments is unequal in New York City. Copyright 2010 Elsevier Inc. All rights reserved.

  15. Effects of chemical composition of fly ash on efficiency of metal separation in ash-melting of municipal solid waste

    SciTech Connect

    Okada, Takashi; Tomikawa, Hiroki

    2013-03-15

    Highlights: ► Separation of Pb and Zn from Fe and Cu in ash-melting of municipal solid waste. ► Molar ratio of Cl to Na and K in fly ash affected the metal-separation efficiency. ► The low molar ratio and a non-oxidative atmosphere were better for the separation. - Abstract: In the process of metal separation by ash-melting, Fe and Cu in the incineration residue remain in the melting furnace as molten metal, whereas Pb and Zn in the residue are volatilized. This study investigated the effects of the chemical composition of incineration fly ash on the metal-separation efficiency of the ash-melting process. Incineration fly ash with different chemical compositions was melted with bottom ash in a lab-scale reactor, and the efficiency with which Pb and Zn were volatilized preventing the volatilization of Fe and Cu was evaluated. In addition, the behavior of these metals was simulated by thermodynamic equilibrium calculations. Depending on the exhaust gas treatment system used in the incinerator, the relationships among Na, K, and Cl concentrations in the incineration fly ash differed, which affected the efficiency of the metal separation. The amounts of Fe and Cu volatilized decreased by the decrease in the molar ratio of Cl to Na and K in the ash, promoting metal separation. The thermodynamic simulation predicted that the chlorination volatilization of Fe and Cu was prevented by the decrease in the molar ratio, as mentioned before. By melting incineration fly ash with the low molar ratio in a non-oxidative atmosphere, most of the Pb and Zn in the ash were volatilized leaving behind Fe and Cu.

  16. Application of pervaporation and vapor permeation processes to separate aqueous ethanol solution through chemically modified Nylon 4 membranes

    SciTech Connect

    Wang, Y.H.; Teng, M.Y.; Lee, K.R.; Wang, D.M.; Lai, J.Y.

    1998-08-01

    The pervaporation performance of a Nylon 4 membrane, chemically grafted by N,N-dimethylaminoethyl methacrylate (DMAEM), DMAEM-g-N4, was studied by measurement of the permeation ratio and the pervaporation separation index. It was found that the water permselectivity and permeation rate for the chemically modified Nylon 4 membrane were higher than those of the unmodified Nylon 4 membrane. Optimum pervaporation results, a separation factor of 28.3, and a permeation rate of 439 g/m{sup 2}{center_dot}h, were obtained when the degree of grafting was 12.7%. It was also found that all the permeation ratios at low temperature were less than unity. In addition, compared with pervaporation, vapor permeation effectively increases the permselectivity of water.

  17. Production of chemicals from food processing wastes using a novel fermenter separator. Technical progress report, September 27-December 31, 1985

    SciTech Connect

    Dale, M.C.; Koo, Y.M.; Park, C.H.; Chen, C.; Lin, J.; Okos, M.R.; Wankat, P.C.

    1985-12-01

    The objective of this project is to perform fundamental, engineering design and operational studies in the area of food processing waste fermentation. Studies addressing the fermentation kinetics and nutritional requirement of immobilized cells and examining different packing materials and energy efficient ethanol separation concentration and recovery methods are underway. These data will be used to develop process design models to aid in designing enery efficient and cost effective processes for conversion of food processing wastes into chemicals. This project focuses on using a novel immobilized cell reactor separator (ICRS) for the production of volatile chemicals from waste food sources such as whey lactose, glucose from waste starch, or any other sort of waste fermentable carbohydrate. 53 refs., 3 figs.

  18. Method for the chemical separation of GE-68 from its daughter Ga-68

    DOEpatents

    Fitzsimmons, Jonathan M.; Atcher, Robert W.

    2010-06-01

    The present invention is directed to a generator apparatus for separating a daughter gallium-68 radioisotope substantially free of impurities from a parent gernanium-68 radioisotope, including a first resin-containing column containing parent gernanium-68 radioisotope and daughter gallium-68 radioisotope, a source of first eluent connected to said first resin-containing column for separating daughter gallium-68 radioisotope from the first resin-containing column, said first eluent including citrate whereby the separated gallium is in the form of gallium citrate, a mixing space connected to said first resin-containing column for admixing a source of hydrochloric acid with said separated gallium citrate whereby gallium citrate is converted to gallium tetrachloride, a second resin-containing column for retention of gallium-68 tetrachloride, and, a source of second eluent connected to said second resin-containing column for eluting the daughter gallium-68 radioisotope from said second resin-containing column.

  19. Fast scanning exafs: A useful tool in time-resolved studies of chemical processes

    NASA Astrophysics Data System (ADS)

    Prieto, C.; Briois, V.; Parent, Ph.; Villain, F.; Lagarde, P.; Dexpert, H.; Fourman, B.; Michalowicz, A.; Verdaguer, M.

    1992-07-01

    The X-ray absorption spectroscopy station EXAFS III (of the D1 line of the D.C.I. ring at LURE) has been modified to record data in the fast scanning mode. After a brief description of the experimental set-up, results of selected kinetics experiments are presented. Interests and limitations are shortly discussed.

  20. Synthesis and analysis of separation networks for the recovery of intracellular chemicals generated from microbial-based conversions

    DOE PAGES

    Yenkie, Kirti M.; Wu, Wenzhao; Maravelias, Christos T.

    2017-05-08

    Background. Bioseparations can contribute to more than 70% in the total production cost of a bio-based chemical, and if the desired chemical is localized intracellularly, there can be additional challenges associated with its recovery. Based on the properties of the desired chemical and other components in the stream, there can be multiple feasible options for product recovery. These options are composed of several alternative technologies, performing similar tasks. The suitability of a technology for a particular chemical depends on (1) its performance parameters, such as separation efficiency; (2) cost or amount of added separating agent; (3) properties of the bioreactormore » effluent (e.g., biomass titer, product content); and (4) final product specifications. Our goal is to first synthesize alternative separation options and then analyze how technology selection affects the overall process economics. To achieve this, we propose an optimization-based framework that helps in identifying the critical technologies and parameters. Results. We study the separation networks for two representative classes of chemicals based on their properties. The separation network is divided into three stages: cell and product isolation (stage I), product concentration (II), and product purification and refining (III). Each stage exploits differences in specific product properties for achieving the desired product quality. The cost contribution analysis for the two cases (intracellular insoluble and intracellular soluble) reveals that stage I is the key cost contributor (>70% of the overall cost). Further analysis suggests that changes in input conditions and technology performance parameters lead to new designs primarily in stage I. Conclusions. The proposed framework provides significant insights for technology selection and assists in making informed decisions regarding technologies that should be used in combination for a given set of stream/product properties and final

  1. Chemical species separation with simultaneous estimation of field map and T2* using a k-space formulation.

    PubMed

    Honorato, Jose Luis; Parot, Vicente; Tejos, Cristian; Uribe, Sergio; Irarrazaval, Pablo

    2012-08-01

    Chemical species separation techniques in image space are prone to incorporate several distortions. Some of these are signal accentuation in borders and geometrical warping from field inhomogeneity. These errors come from neglecting intraecho time variations. In this work, we present a new approach for chemical species separation in MRI with simultaneous estimation of field map and T2* decay, formulated entirely in k-space. In this approach, the time map is used to model the phase accrual from off-resonance precession and also the amplitude decay due to T2*. Our technique fits the signal model directly in k-space with the acquired data minimizing the l(2)-norm with an interior-point algorithm. Standard two dimensional gradient echo sequences in the thighs and head were used for demonstrating the technique. With this approach, we were able to obtain excellent estimation for the species, the field inhomogeneity, and T2* decay images. The results do not suffer from geometric distortions derived from the chemical shift or the field inhomogeneity. Importantly, as the T2* map is well positioned, the species signal in borders is correctly estimated. Considering intraecho time variations in a complete signal model in k-space for separating species yields superior estimation of the variables of interest when compared to existing methods.

  2. Chemical and Equipment-Free Strategy To Fabricate Water/Oil Separating Materials for Emergent Oil Spill Accidents.

    PubMed

    Ju, Guannan; Liu, Jing; Li, Donglin; Cheng, Mengjiao; Shi, Feng

    2017-03-14

    Oil spill accidents normally have two important features when considering practical cleanup strategies: (1) unexpected occurrence in any situations possibly without specific equipment and chemicals; (2) emergency to be cleaned to minimize the influences on ecosystems. To address these two practical problems regarding removal of spilt oil, we have proposed an in situ, rapid, and facile candle-soot strategy to fabricate water/oil separating materials based on superhydrophobicity/superoleophilicity. The one-step fabrication method is independent of any chemicals or equipment and can be ready for use through short smoking processes within 5 min by using raw materials available in daily life such as textiles. The as-prepared materials perform good durability for repeated separation test and high recovery rate of various oils from water/oil mixtures. This strategy provides possibility of rapid response to sudden oil spill accidents, especially in cases without any equipment or chemicals and in poor countries/areas those could hardly afford transportation and storage of expensive separating materials.

  3. Native agarose gel electrophoresis and electroelution: A fast and cost-effective method to separate the small and large hepatitis B capsids.

    PubMed

    Yoon, Kam Yee; Tan, Wen Siang; Tey, Beng Ti; Lee, Khai Wooi; Ho, Kok Lian

    2013-01-01

    Hepatitis B core antigen (HBcAg) expressed in Escherichia coli is able to self-assemble into large and small capsids comprising 240 (triangulation number T = 4) and 180 (triangulation number T = 3) subunits, respectively. Conventionally, sucrose density gradient ultracentrifugation and SEC have been used to separate these capsids. However, good separation of the large and small particles with these methods is never achieved. In the present study, we employed a simple, fast, and cost-effective method to separate the T = 3 and T = 4 HBcAg capsids by using native agarose gel electrophoresis followed by an electroelution method (NAGE-EE). This is a direct, fast, and economic method for isolating the large and small HBcAg particles homogenously based on the hydrodynamic radius of the spherical particles. Dynamic light scattering analysis demonstrated that the T = 3 and T = 4 HBcAg capsids prepared using the NAGE-EE method are monodisperse with polydispersity values of ∼15% and ∼13%, respectively. ELISA proved that the antigenicity of the capsids was not affected in the purification process. Overall, NAGE-EE produced T = 3 and T = 4 capsids with a purity above 90%, and the recovery was 34% and 50%, respectively (total recovery of HBcAg is ∼84%), and the operation time is 15 and 4 times lesser than that of the sucrose density gradient ultracentrifugation and SEC, respectively.

  4. WORKSHOP ON NEW DEVELOPMENTS IN CHEMICAL SEPARATIONS FROM COMBINATORIAL CHEMISTRY AND RELATED SYNTHETIC STRATEGIES

    SciTech Connect

    Weber, Stephen G.

    1998-08-22

    The power of combinatorial chemistry and related high throughput synthetic strategies is currently being pursued as a fruitful way to develop molecules and materials with new properties. The strategy is motivated, for example in the pharmaceutical industry, by the difficulty of designing molecules to bind to specific sites on target biomolecules. By synthesizing a variety of similar structures, and then finding the one that has the most potent activity, new so-called lead structures will be found rapidly. Existing lead structures can be optimized. This relatively new approach has many implications for separation science. The most obvious is the call for more separations power: higher resolution, lower concentrations, higher speed. This pressure butresses the traditional directions of research into the development of more useful separations. The advent of chip-based, electroosmotically pumped systems1 will certainly accelerate progress in this traditional direction. The progress in combinatorial chemistry and related synthetic strategies gives rise to two other, broadly significant possibilities for large changes in separation science. One possibility results from the unique requirements of the synthesis of a huge number of products simultaneously. Can syntheses and separations be designed to work together to create strategies that lead to mixtures containing only desired products but without side products? The other possibility results from the need for molecular selectivity in separations. Can combinatorial syntheses and related strategies be used in the development of better separations media? A workshop in two parts was held. In one half-day session, pedagogical presentations educated across the barriers of discipline and scale. In the second half-day session, the participants broke into small groups to flesh out new ideas. A panel summarized the breakout discussions.

  5. Separation of Corn Fiber and Conversion to Fuels and Chemicals: Pilot-Scale Operation

    SciTech Connect

    2006-04-01

    This project focuses on the development and pilot-scale testing of technologies that will enable the development of a biorefinery capable of economically deriving high-value chemicals and oils from lower value corn fiber.

  6. Chemical vapor deposition of thin crystals of layered semiconductor SnS2 for fast photodetection application.

    PubMed

    Su, Guoxiong; Hadjiev, Viktor G; Loya, Phillip E; Zhang, Jing; Lei, Sidong; Maharjan, Surendra; Dong, Pei; M Ajayan, Pulickel; Lou, Jun; Peng, Haibing

    2015-01-14

    Layered two-dimensional (2D) semiconductors, such as MoS(2) and SnS(2), have been receiving intensive attention due to their technological importance for the next-generation electronic/photonic applications. We report a novel approach to the controlled synthesis of thin crystal arrays of SnS(2) at predefined locations on chip by chemical vapor deposition with seed engineering and have demonstrated their application as fast photodetectors with photocurrent response time ∼ 5 μs. This opens a pathway for the large-scale production of layered 2D semiconductor devices, important for applications in integrated nanoelectronic/photonic systems.

  7. 'Dilute-and-shoot' RSLC-MS-MS method for fast detection of nerve and vesicant chemical warfare agent metabolites in urine.

    PubMed

    Rodin, Igor; Braun, Arcady; Stavrianidi, Andrey; Baygildiev, Timur; Shpigun, Oleg; Oreshkin, Dmitry; Rybalchenko, Igor

    2015-01-01

    A sensitive screening method based on fast liquid chromatography tandem mass-spectrometry (RSLC-MS-MS) has shown the feasibility of separation and detection of low concentration β-lyase metabolites of sulfur mustard and of nerve agent phosphonic acids in urine. The analysis of these compounds is of interest because they are specific metabolites of the chemical warfare agents (CWAs), sulfur mustard (HD), sarin (GB), soman (GD), VX and Russian VX (RVX). The 'dilute-and-shoot' RSLC-MS-MS method provides a sensitive and direct approach for determining CWA exposure in non-extracted non-derivatized samples from urine. Chromatographic separation of the metabolites was achieved using a reverse phase column with gradient mobile phases consisting of 0.5% formic acid in water and acetonitrile. Identification and quantification of species were achieved using electrospray ionization-tandem mass-spectrometry monitoring two precursor-to-product ion transitions for each compound. The method demonstrates linearity over at least two orders of magnitude and had detection limits of 0.5 ng/mL in urine. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  8. The pentafluorophenyl stationary phase shows a unique separation efficiency for performing fast chromatography determination of highbush blueberry anthocyanins.

    PubMed

    Šmídová, Barbora; Šatínský, Dalibor; Dostálová, Kateřina; Solich, Petr

    2017-05-01

    A high-performance liquid chromatography method using an alternative pentafluorophenyl (PFP) core-shell stationary phase has been developed and used for rapid separation of 23 anthocyanins in a highbush blueberry Bluehaven cultivar. A high efficiency of separation of anthocyanins was achieved in the core-shell column Kinetex PFP, 150×4.6mm (particle size 2.6µm) with a 5×4.6mm precolumn, using a simple linear gradient elution with a mobile phase of acetonitrile and a water solution of 2% formic acid at a flow rate of 1.0ml/min and at a temperature of 50°C. The detection wavelength was set at 520nm for detection of all anthocyanins. The homogenized blueberry sample (Bluehaven cultivar) was extracted using pure methanol with 1.3% formic acid using an ultrasound bath for 20min and then filtrated. A 5-µL sample volume was directly injected into the HPLC system. The developed method showed an efficient separation of 23 anthocyanins in a total runtime of 21min. The potential of the pentafluorophenyl phase for efficient separation was demonstrated on a wide range of anthocyanins varying in glycosylation and acylation patterns found in highbush blueberries. The fluorinated stationary phase showed an alternative and complementary separation approach providing unique aromatic and polar selectivity in comparison with common C-18 phases. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Preparation of a novel ionic hybrid stationary phase by non-covalent functionalization of single-walled carbon nanotubes with amino-derivatized silica gel for fast HPLC separation of aromatic compounds.

    PubMed

    Aral, Hayriye; Çelik, K Serdar; Aral, Tarık; Topal, Giray

    2016-03-01

    Single-walled carbon nanotubes (SWCNTs) were immobilized on spherical silica gel with a 4-μm average particle size and a 60-Å average pore size. The amino-derivatized silica gel was non-covalently coated with carboxylated SWCNTs to preserve the structure of the nanotubes and their physico-chemical properties. The novel ionic hybrid stationary phase was characterized by scanning electron microscopy (SEM), infra-red (IR) spectroscopy and elemental analysis, and then, it was used to fill an empty 150×4.6mm(2) high-performance liquid chromatography (HPLC) column. Chromatographic parameters, such as the theoretical plate number, retention factor and peak asymmetry factor, and analytical parameters, such as the limit of detection (LOD), limit of quantification (LOQ), linear range, calibration equation, and R(2) value, and quantitative analysis parameters were calculated for all of the analytes. Using different mobile phases, five different classes of aromatic hydrocarbons were separated in a very short analysis time of 4-8min. Furthermore, a high theoretical plate number (up to 25000) and an excellent peak asymmetry factor (1.0) were obtained. The results showed that the surface of the SWNTs had very strong interactions with aromatic groups, therefore providing high selectivity for the separation of different classes of aromatic compounds. This study indicates that SWCNTs enable the extension of the application range of the newly prepared stationary phases for the fast separation of aromatic compounds by HPLC. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Fast Formation of Conductive Material by Simultaneous Chemical Process for Infilling Through-Silicon Via

    NASA Astrophysics Data System (ADS)

    Kawakita, Jin; Chikyow, Toyohiro

    2012-06-01

    It is necessary to develop a fast and inexpensive fabrication process of vertical electric wiring by through-silicon via (TSV) technology for advanced three-dimensional semiconductor devices. In this research, a fast-forming conductive composite was successfully developed by simultaneous deposition of conductive organic polymer (polypyrrole) and metal (silver) from the liquid phase, accelerated by photoirradiation. The growth rate of the composite was 38 nm·s-1, which is more than 10 times higher than that of copper by conventional plating. The electric conductivity of the composite was 2.1×104 Ω-1·cm-1, which is on the same level as general metal conductors. In addition, the effects of reaction conditions on the growth rate and the conductivity of the composites were revealed. From these results, the infilling time of the TSV was expected to shorten from the present 2-10 h to 5-10 m.

  11. Production, chemical and isotopic separation of the178m2Hf high-spin isomer

    NASA Astrophysics Data System (ADS)

    Oganessian, Yu. Ts.; Hussonnois, M.; Brianôcon, Ch.; Karamian, S. A.; Szeglowski, Z.; Ledu, D.; Meunier, R.; Constantinescu, M.; Kim, J. B.; Constantinescu, O.

    1997-05-01

    The 178m2Hf with its long-lived (T1/2=31 y), high-spin Iπ = 16+, isomeric state, is a challenge for new and exotic nuclear physics studies. The 178m2Hf isomer has been produced in microweight quantities using the 176Yb(α,2n) nuclear reaction, by irradiation with a high-intensity beam using the U-200 cyclotron in Dubna. Radiochemistry and mass separation methods have been developed, with the aim to separate and purify the produced Hf material. Thin targets of isomeric hafnium-178 on carbon backings have been prepared and used in experiments with neutron, proton and deuteron beams.

  12. Exploring Liquid Sequential Injection Chromatography to Teach Fundamentals of Separation Methods: A Very Fast Analytical Chemistry Experiment

    ERIC Educational Resources Information Center

    Penteado, Jose C.; Masini, Jorge Cesar

    2011-01-01

    Influence of the solvent strength determined by the addition of a mobile-phase organic modifier and pH on chromatographic separation of sorbic acid and vanillin has been investigated by the relatively new technique, liquid sequential injection chromatography (SIC). This technique uses reversed-phase monolithic stationary phase to execute fast…

  13. Exploring Liquid Sequential Injection Chromatography to Teach Fundamentals of Separation Methods: A Very Fast Analytical Chemistry Experiment

    ERIC Educational Resources Information Center

    Penteado, Jose C.; Masini, Jorge Cesar

    2011-01-01

    Influence of the solvent strength determined by the addition of a mobile-phase organic modifier and pH on chromatographic separation of sorbic acid and vanillin has been investigated by the relatively new technique, liquid sequential injection chromatography (SIC). This technique uses reversed-phase monolithic stationary phase to execute fast…

  14. Gravity packaging final waste recovery based on gravity separation and chemical imaging control.

    PubMed

    Bonifazi, Giuseppe; Serranti, Silvia; Potenza, Fabio; Luciani, Valentina; Di Maio, Francesco

    2017-02-01

    Plastic polymers are characterized by a high calorific value. Post-consumer plastic waste can be thus considered, in many cases, as a typical secondary solid fuels according to the European Commission directive on End of Waste (EoW). In Europe the practice of incineration is considered one of the solutions for waste disposal waste, for energy recovery and, as a consequence, for the reduction of waste sent to landfill. A full characterization of these products represents the first step to profitably and correctly utilize them. Several techniques have been investigated in this paper in order to separate and characterize post-consumer plastic packaging waste fulfilling the previous goals, that is: gravity separation (i.e. Reflux Classifier), FT-IR spectroscopy, NIR HyperSpectralImaging (HSI) based techniques and calorimetric test. The study demonstrated as the proposed separation technique and the HyperSpectral NIR Imaging approach allow to separate and recognize the different polymers (i.e. PolyVinyl Chloride (PVC), PolyStyrene (PS), PolyEthylene (PE), PoliEtilene Tereftalato (PET), PolyPropylene (PP)) in order to maximize the removal of the PVC fraction from plastic waste and to perform the full quality control of the resulting products, can be profitably utilized to set up analytical/control strategies finalized to obtain a low content of PVC in the final Solid Recovered Fuel (SRF), thus enhancing SRF quality, increasing its value and reducing the "final waste". Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Development of a Systems Engineering Model of the Chemical Separations Process

    SciTech Connect

    Sun, Lijian; Li, Jianhong; Chen, Yitung; Clarksean, Randy; Ladler, Jim; Vandergrift, George

    2002-07-01

    Work is being performed to develop a general-purpose systems engineering model for the AAA separation process. The work centers on the development of a new user interface for the AMUSE code and on the specification of a systems engineering model. This paper presents background information and an overview of work completed to date. (authors)

  16. A Chemical Signature from Fast-rotating Low-metallicity Massive Stars: ROA 276 in ω Centauri

    NASA Astrophysics Data System (ADS)

    Yong, David; Norris, John E.; Da Costa, Gary S.; Stanford, Laura M.; Karakas, Amanda I.; Shingles, Luke J.; Hirschi, Raphael; Pignatari, Marco

    2017-03-01

    We present a chemical abundance analysis of a metal-poor star, ROA 276, in the stellar system ω Centauri. We confirm that this star has an unusually high [Sr/Ba] abundance ratio. Additionally, ROA 276 exhibits remarkably high abundance ratios, [X/Fe], for all elements from Cu to Mo along with normal abundance ratios for the elements from Ba to Pb. The chemical abundance pattern of ROA 276, relative to a primordial ω Cen star ROA 46, is best fit by a fast-rotating low-metallicity massive stellar model of 20 {M}ȯ , [Fe/H] = ‑1.8, and an initial rotation 0.4 times the critical value; no other nucleosynthetic source can match the neutron-capture element distribution. ROA 276 arguably offers the most definitive proof to date that fast-rotating massive stars contributed to the production of heavy elements in the early universe. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

  17. Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR.

    PubMed

    Hung, Ivan; Wong, Alan; Howes, Andy P; Anupõld, Tiit; Samoson, Ago; Smith, Mark E; Holland, Diane; Brown, Steven P; Dupree, Ray

    2009-04-01

    Using a two-dimensional multiple-quantum (MQ) double rotation (DOR) experiment the contributions of the chemical shift and quadrupolar interaction to isotropic resonance shifts can be completely separated. Spectra were acquired using a three-pulse triple-quantum z-filtered pulse sequence and subsequently sheared along both the nu(1) and nu(2) dimensions. The application of this method is demonstrated for both crystalline (RbNO(3)) and amorphous samples (vitreous B(2)O(3)). The existence of the two rubidium isotopes ((85)Rb and (87)Rb) allows comparison of results for two nuclei with different spins (I=3/2 and 5/2), as well as different dipole and quadrupole moments in a single chemical compound. Being only limited by homogeneous line broadening and sample crystallinity, linewidths of approximately 0.1 and 0.2 ppm can be measured for (87)Rb in the quadrupolar and chemical shift dimensions, enabling highly accurate determination of the isotropic chemical shift and the quadrupolar product, P(Q). For vitreous B(2)O(3), the use of MQDOR allows the chemical shift and electric field gradient distributions to be directly determined-information that is difficult to obtain otherwise due to the presence of second-order quadrupolar broadening.

  18. Interdisciplinary Learning for Chemical Engineering Students from Organic Chemistry Synthesis Lab to Reactor Design to Separation

    ERIC Educational Resources Information Center

    Armstrong, Matt; Comitz, Richard L.; Biaglow, Andrew; Lachance, Russ; Sloop, Joseph

    2008-01-01

    A novel approach to the Chemical Engineering curriculum sequence of courses at West Point enabled our students to experience a much more realistic design process, which more closely replicated a real world scenario. Students conduct the synthesis in the organic chemistry lab, then conduct computer modeling of the reaction with ChemCad and…

  19. Interdisciplinary Learning for Chemical Engineering Students from Organic Chemistry Synthesis Lab to Reactor Design to Separation

    ERIC Educational Resources Information Center

    Armstrong, Matt; Comitz, Richard L.; Biaglow, Andrew; Lachance, Russ; Sloop, Joseph

    2008-01-01

    A novel approach to the Chemical Engineering curriculum sequence of courses at West Point enabled our students to experience a much more realistic design process, which more closely replicated a real world scenario. Students conduct the synthesis in the organic chemistry lab, then conduct computer modeling of the reaction with ChemCad and…

  20. Chemical conversions of butyraldehydes during separation of the products of oxo synthesis

    SciTech Connect

    Kuz'mina, L.S.; Maiorova, L.V.; Katsnel'son, M.G.; Kharisov, M.A.

    1987-07-10

    It was shown that aldol condensation and formation of acetals occur during isolation of butyraldehydes by continuous fractionation of the products of oxo synthesis. Aldehyde losses due to chemical conversions decrease with increase of temperature in the reboiler, and may be virtually eliminated, while the selectivity of formation of the products of aldol condensation increases.

  1. Integrating separation and conversion - Conversion of biorefinery process streams to biobased chemicals and fuels

    Treesearch

    Joseph J. Bozell; Berenger Biannic; Diana Cedeno; Thomas Elder; Omid Hosseinaei; Lukas Delbeck; Jae-Woo Kim; C.J. O' Lenick; Timothy Young

    2014-01-01

    Abstract The concept of the integrated biorefinery is critical to developing a robust biorefining industry in the USA.Within this model, the biorefinery will produce fuel as a highvolume output addressing domestic energy needs and biobased chemical products (high-value organics) as an output providing necessary economic support for fuel production. This paper will...

  2. Machine learning scheme for fast extraction of chemically interpretable interatomic potentials

    NASA Astrophysics Data System (ADS)

    Dolgirev, Pavel E.; Kruglov, Ivan A.; Oganov, Artem R.

    2016-08-01

    We present a new method for a fast, unbiased and accurate representation of interatomic interactions. It is a combination of an artificial neural network and our new approach for pair potential reconstruction. The potential reconstruction method is simple and computationally cheap and gives rich information about interactions in crystals. This method can be combined with structure prediction and molecular dynamics simulations, providing accuracy similar to ab initio methods, but at a small fraction of the cost. We present applications to real systems and discuss the insight provided by our method.

  3. Flow processes in overexpanded chemical rocket nozzles. Part 2: Side loads due to asymmetric separation

    NASA Technical Reports Server (NTRS)

    Schmucker, R. H.

    1984-01-01

    Methods for measuring the lateral forces, occurring as a result of asymmetric nozzle flow separation, are discussed. The effect of some parameters on the side load is explained. A new method was developed for calculation of the side load. The values calculated are compared with side load data of the J-2 engine. Results are used for predicting side loads of the space shuttle main engine.

  4. From Azo-Linked Polymers to Microporous Heteroatom-Doped Carbons: Tailored Chemical and Textural Properties for Gas Separation.

    PubMed

    Ashourirad, Babak; Arab, Pezhman; Verlander, Alyson; El-Kaderi, Hani M

    2016-04-06

    Heteroatom-doped porous carbons with ultrahigh microporosity were prepared from a nitrogen-rich azo-linked polymer (ALP-6) as a precursor for gas separation applications. Direct carbonization and chemical activation of ALP-6 with ZnCl2 and KOH were successfully applied to obtain three different classes of porous carbons (ALPDCs). Synthetic processes were conducted at relatively mild temperatures (500-800 °C),which resulted in retention of appreciable levels of nitrogen content (4.7-14.3 wt %). Additionally, oxygen functionalities were found to be present in chemically activated samples. The resultant porous carbons feature a diverse range of textural properties with a predominant microporous nature in common. The highest CO2 uptake value of 5.2 mmol g(-1) at 1 bar and 298 K in ALPDCK600 was originated from well-developed porosity and basic heteroatoms (N and O) on the pore walls. The highest heteroatom doping level (12 wt % nitrogen and 20 wt % oxygen) coupled with the high level of microporosity (84%) for ALPDCK500 led to notable CO2/N2 (62) and CO2/CH4 (11) selectivity values and a high CO2 uptake capacity (1.5 mmol g(-1), at 0.15 bar) at 298 K. This study illustrates the effective use of a single-source precursor with robust nitrogen bonds in combination with diverse carbonization methods to tailor the chemical and textural properties of heteroatom-doped porous carbons for CO2 capture and separation applications.

  5. The Relationship between the Hydrophilicity and Surface Chemical Composition Microphase Separation Structure of Multicomponent Silicone Hydrogels.

    PubMed

    Zhao, Zheng-Bai; An, Shuang-Shuang; Xie, Hai-Jiao; Han, Xue-Lian; Wang, Fu-He; Jiang, Yong

    2015-07-30

    Three series of multicomponent silicone hydrogels were prepared by the copolymerization of two hydrophobic silicon monomers bis(trimethylsilyloxy) methylsilylpropyl glycerol methacrylate (SiMA) and tris(trimethylsiloxy) 3-methacryloxypropylsilane (TRIS) with three hydrophilic monomers. The surface hydrophilicity of the silicone hydrogels was characterized by contact angle measurements, and an interesting phenomenon was found that the silicone hydrogels made from less hydrophobic monomer SiMA possess more hydrophobic surfaces than those made from TRIS. The surface properties such as morphology and elemental composition of the silicone hydrogels were explored by scanning electron microscopy (SEM) imaging and energy dispersive spectrometry (EDS) analysis, and their relationships with the surface hydrophilicity were investigated in details. The results show neither the surface morphology nor the elemental composition has obvious impact on the surface hydrophilicity. Atomic force microscopy (AFM) imaging revealed that SiMA hydrogel had a more significant phase separation structure, which also made its surface uneven: a lot of tiny holes were observed on the surface. This surface phase separation structure made SiMA hydrogel more difficult to be wetted by water or PBS buffer, i.e., more hydrophobic than TRIS hydrogel. On the basis of these results, we propose that the phase separation structure as well as the nature of silicon monomers might be the fundamental reasons of surface hydrophilicity. These results could help to design a silicone hydrogel with better surface properties and wider application.

  6. Development of a fully automated open-column chemical-separation system—COLUMNSPIDER—and its application to Sr-Nd-Pb isotope analyses of igneous rock samples

    NASA Astrophysics Data System (ADS)

    Miyazaki, Takashi; Vaglarov, Bogdan Stefanov; Takei, Masakazu; Suzuki, Masahiro; Suzuki, Hiroaki; Ohsawa, Kouzou; Chang, Qing; Takahashi, Toshiro; Hirahara, Yuka; Hanyu, Takeshi; Kimura, Jun-Ichi; Tatsumi, Yoshiyuki

    A fully automated open-column resin-bed chemical-separation system, named COLUMNSPIDER, has been developed. The system consists of a programmable micropipetting robot that dispenses chemical reagents and sample solutions into an open-column resin bed for elemental separation. After the initial set up of resin columns, chemical reagents, and beakers for the separated chemical components, all separation procedures are automated. As many as ten samples can be eluted in parallel in a single automated run. Many separation procedures, such as radiogenic isotope ratio analyses for Sr and Nd, involve the use of multiple column separations with different resin columns, chemical reagents, and beakers of various volumes. COLUMNSPIDER completes these separations using multiple runs. Programmable functions, including the positioning of the micropipetter, reagent volume, and elution time, enable flexible operation. Optimized movements for solution take-up and high-efficiency column flushing allow the system to perform as precisely as when carried out manually by a skilled operator. Procedural blanks, examined for COLUMNSPIDER separations of Sr, Nd, and Pb, are low and negligible. The measured Sr, Nd, and Pb isotope ratios for JB-2 and Nd isotope ratios for JB-3 and BCR-2 rock standards all fall within the ranges reported previously in high-accuracy analyses. COLUMNSPIDER is a versatile tool for the efficient elemental separation of igneous rock samples, a process that is both labor intensive and time consuming.

  7. A two-band model for the phase separation induced by the chemical mismatch pressure in different cuprate superconductors

    NASA Astrophysics Data System (ADS)

    Kugel, K. I.; Rakhmanov, A. L.; Sboychakov, A. O.; Kusmartsev, F. V.; Poccia, Nicola; Bianconi, Antonio

    2009-01-01

    A two-band model is used to study the phase separation in systems with different kinds of strongly correlated charge carrier, with a special emphasis on cuprate superconductors near optimum doping. We show that such a system can decompose into two metallic-like phases with more and less localized carriers. This phase separation is controlled by the energy splitting between the two bands. In cuprate superconductors, this energy splitting can be related to the internal chemical pressure on the CuO2 layer due to interlayer mismatch. The interplay between the surface energy of nanoscale inhomogeneities and the long-range Coulomb interaction determines the geometry of the phase-separated state (droplet- or stripe-like, depending on doping). The model is able to reproduce the regime of phase separation at doping higher than 1/8 in the experimental pressure-doping-Tc phase diagram of cuprates at large microstrain as it appears in superoxygenated La2CuO4.

  8. Production of chemicals from food processing wastes using a novel fermenter separator. Technical progress report, April 1-June 30, 1986

    SciTech Connect

    Dale, M.C.; Koo, Y.M.; Park, C.H.; Chen, C.; Lin, J.; Moyer, P.; Okos, M.R.; Wankat, P.C.

    1986-07-01

    The objective of this project is to perform fundamental, engineering design and operational studies in the area of food processing waste fermentation. This objective will be sought by performing studies to evaluate the fermentation kinetics and nutritional requirement of immobilized cells, to examine different packing materials and energy efficient ethanol separation concentration and recovery methods, and to design and build a pilot plant reactor unit. These data will be used to develop process design models to aid in designing energy efficient and cost effective processes for conversion of food processing wastes into chemicals. During this quarter progress has been made on the literature review, and the laboratory reactor separator studies. The pilot plant construction has been delayed due to problems in equipment procurement. Process design model development is on schedule. 78 refs., 4 figs., 6 tabs.

  9. Variable separation in curvature sensing: fast method for solving the irradiance transport equation in the context of optical telescopes.

    PubMed

    Salas, L

    1996-04-01

    A method to evaluate wave-front aberrations in optical telescopes that is based on the method of curvature sensing but that solves the irradiance transport equation by variable separation is presented. This technique is simpler for processing than are previously released techniques and can perform more efficiently, as is required by active and adaptive optics. Testing for consistency of the method by evaluation of several sets of out-of-focus images obtained with the 2-m telescope at the Universidad Nacional Autónoma de México was carried out, and a stability of 10% for the derived values of Zernike coefficients was found.

  10. Nanoporous Au-Ag shell with fast kinetics: integrating chemical and plasmonic catalysis

    NASA Astrophysics Data System (ADS)

    Yang, Wenpeng; Wu, Ke; Yang, Weimin; Wang, Hailing; Lv, Xianglong; Qian, Lihua; Yu, Tianshui; Li, Zengquan; Zhou, Xiangji; Okumu Barasa, Godfrey; Yuan, Songliu; Jiang, Yingtao; Yang, Zhilin

    2017-10-01

    Nanoporous noble metals and alloys are widely utilized as efficient catalysts, because they have high surface-to-volume ratios for sufficient active sites and induce molecule polarization through plasmon excitation as well. Herein, we demonstrate one approach to fabricate nanoporous Au-Ag shell. Such material represents the dual functions serving as efficient catalysts and high-performance surface-enhanced Raman scattering substrate. In situ spectrum acquisition can track the conversion of p-nitrothiophenol to 4, 4‧-dimercapto-azobenzene at ambient temperature. In particular, as a result of chemical catalysis of Ag elements and strong plasmon-molecule coupling, catalytic kinetics of nanoporous Au-Ag shell is 79.2–123.8 times faster than Au nanoparticles (NPs), and 2.2–3.3 times faster than Ag NPs. This investigation offers a route to design superior catalysts to integrate chemical and plasmonic catalysis.

  11. Fast semiempirical calculations for nuclear magnetic resonance chemical shifts: A divide-and-conquer approach

    NASA Astrophysics Data System (ADS)

    Wang, Bing; Brothers, Edward N.; van der Vaart, Arjan; Merz, Kenneth M.

    2004-06-01

    A new approach to calculate nuclear magnetic resonance chemical shifts has been implemented at the semiempirical modified neglect of diatomic overlap level using gauge-including atomic orbitals. The perturbed density matrix with respect to the magnetic field is obtained by the diagonalization of the complex Fock matrix using the divide and conquer (DC) method, instead of by solving the computationally expensive coupled perturbed Hartree-Fock equations. Adopting the Patchkovskii and Thiel parameters [S. Patchkovskii and W. Thiel J. Comput. Chem. 20, 1220 (1999)], we were able to reproduce their results for small organic molecules. The errors introduced by DC method are negligible, as shown by the calculations on a series of polyalaine structures. Test calculations on proteins have demonstrated that our approach makes it possible to calculate chemical shifts routinely on systems with hundreds of atoms with good accuracy.

  12. Estimating the effective rate of fast chemical reactions with turbulent mixing of reactants

    SciTech Connect

    Vorotilin, V. P. Yanovskii, Yu. G.

    2015-07-15

    On the basis of representation of a turbulent fluid as an aggregation of independent turbulent particles (vortexes), we derive relations for the effective rate of chemical reactions and obtain a closed system of equations describing reactions with turbulent mixing of reactants. A variant of instantaneous reactions is considered that explains the proposed approach simply. In particular, the turbulent mixing events according to this approach are uniquely related to the acts of chemical interaction, which makes it possible to exclude from consideration the mixing of inert impurities–the most difficult point of the theory formulated using classical notions. The obtained system of equations is closed without introducing arbitrarily adopted correlations, by naturally introducing the concept of effective reaction and writing the equations of conservation for both the concentrations of reactants and their volumes.

  13. Equivalence of on-Lattice Stochastic Chemical Kinetics with the Well-Mixed Chemical Master Equation in the Limit of Fast Diffusion.

    PubMed

    Stamatakis, Michail; Vlachos, Dionisios G

    2011-12-14

    Well-mixed and lattice-based descriptions of stochastic chemical kinetics have been extensively used in the literature. Realizations of the corresponding stochastic processes are obtained by the Gillespie stochastic simulation algorithm and lattice kinetic Monte Carlo algorithms, respectively. However, the two frameworks have remained disconnected. We show the equivalence of these frameworks whereby the stochastic lattice kinetics reduces to effective well-mixed kinetics in the limit of fast diffusion. In the latter, the lattice structure appears implicitly, as the lumped rate of bimolecular reactions depends on the number of neighbors of a site on the lattice. Moreover, we propose a mapping between the stochastic propensities and the deterministic rates of the well-mixed vessel and lattice dynamics that illustrates the hierarchy of models and the key parameters that enable model reduction.

  14. Fast neutron sensor for detection of explosives and chemical warfare agents.

    PubMed

    Valkovic, Vladivoj; Sudac, Davorin; Matika, Dario

    2010-01-01

    Once the presence of the anomaly on the bottom of the shallow coastal sea water has been confirmed it is necessary to establish if it contains explosive or chemical warfare charge. We propose that this be performed by using neutron sensor installed within an underwater vessel. When positioned above the object, or to its side, the system can inspect the object for the presence of the threat materials by using alpha particle tagged neutrons from the sealed tube d+t neutron generator.

  15. Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.

    PubMed

    Braga, Rodolpho C; Alves, Vinicius M; Muratov, Eugene N; Strickland, Judy; Kleinstreuer, Nicole; Trospsha, Alexander; Andrade, Carolina Horta

    2017-05-22

    Chemically induced skin sensitization is a complex immunological disease with a profound impact on quality of life and working ability. Despite some progress in developing alternative methods for assessing the skin sensitization potential of chemical substances, there is no in vitro test that correlates well with human data. Computational QSAR models provide a rapid screening approach and contribute valuable information for the assessment of chemical toxicity. We describe the development of a freely accessible web-based and mobile application for the identification of potential skin sensitizers. The application is based on previously developed binary QSAR models of skin sensitization potential from human (109 compounds) and murine local lymph node assay (LLNA, 515 compounds) data with good external correct classification rate (0.70-0.81 and 0.72-0.84, respectively). We also included a multiclass skin sensitization potency model based on LLNA data (accuracy ranging between 0.73 and 0.76). When a user evaluates a compound in the web app, the outputs are (i) binary predictions of human and murine skin sensitization potential; (ii) multiclass prediction of murine skin sensitization; and (iii) probability maps illustrating the predicted contribution of chemical fragments. The app is the first tool available that incorporates quantitative structure-activity relationship (QSAR) models based on human data as well as multiclass models for LLNA. The Pred-Skin web app version 1.0 is freely available for the web, iOS, and Android (in development) at the LabMol web portal ( http://labmol.com.br/predskin/ ), in the Apple Store, and on Google Play, respectively. We will continuously update the app as new skin sensitization data and respective models become available.

  16. Development of Chemically and Thermally Robust Lithium Fast Ion Conducting Chalcogenide Glasses

    NASA Technical Reports Server (NTRS)

    Martin, Steve W.; Hagedorn, Norman (Technical Monitor)

    2002-01-01

    In this project, a new research thrust into the development of an entirely new class of FIC glasses has begun that may lead to a new set of optimized thin-film lithium ion conducting materials. New chemically robust FIC glasses are being prepared that are expected to exhibit unusually high chemical and electrochemical stability. New thermally robust FIC glasses are being prepared that exhibit softening points in excess of 500 C which will dramatically expand the usable operating temperature range of batteries, fuel-cells, and sensors using such electrolytes. Glasses are being explored in the general compositional series xLi2S+ yGa2S3 + (1-x-y)GeS2. Li2S is added as the source of the conductive lithium ions. GeS2 is the base glass-forming phase and the trivalent sulfides, Ga2S3, is added to increase the "refractoniness" of the glass, that is to significantly increase the softening point of the glass as well as its chemical stability. By optimizing the composition of the glass, new glasses and glass-ceramic FIC materials have been prepared with softening points in excess of 500 C and conductivities above 10(exp -3)/Ohm cm at room temperature. These latter attributes are currently not available in any FIC glasses to date.

  17. Fast Atomic-Scale Chemical Imaging of Crystalline Materials and Dynamic Phase Transformations.

    PubMed

    Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F; Spoerke, Erik David; Pan, Wei; Zuo, Jian Min

    2016-04-13

    Atomic-scale phenomena fundamentally influence materials form and function that makes the ability to locally probe and study these processes critical to advancing our understanding and development of materials. Atomic-scale chemical imaging by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) is a powerful approach to investigate solid crystal structures. Inefficient X-ray emission and collection, however, require long acquisition times (typically hundreds of seconds), making the technique incompatible with electron-beam sensitive materials and study of dynamic material phenomena. Here we describe an atomic-scale STEM-EDS chemical imaging technique that decreases the acquisition time to as little as one second, a reduction of more than 100 times. We demonstrate this new approach using LaAlO3 single crystal and study dynamic phase transformation in beam-sensitive Li[Li0.2Ni0.2Mn0.6]O2 (LNMO) lithium ion battery cathode material. By capturing a series of time-lapsed chemical maps, we show for the first time clear atomic-scale evidence of preferred Ni-mobility in LNMO transformation, revealing new kinetic mechanisms. These examples highlight the potential of this approach toward temporal, atomic-scale mapping of crystal structure and chemistry for investigating dynamic material phenomena.

  18. Development program for magnetically assisted chemical separation: Evaluation of cesium removal from Hanford tank supernatant

    SciTech Connect

    Nunez, L.; Buchholz, B.A.; Ziemer, M.; Dyrkacz, G.; Kaminski, M.; Vandegrift, G.F.; Atkins, K.J.; Bos, F.M.; Elder, G.R.; Swift, C.A.

    1994-12-01

    Magnetic particles (MAG*SEP{sup SM}) coated with various absorbents were evaluated for the separation and recovery of low concentrations of cesium from nuclear waste solutions. The MAG*SEP{sup SM} particles were coated with (1) clinoptilolite, (2) transylvanian volcanic tuff, (3) resorcinol formaldehyde, and (4) crystalline silico-titanate, and then were contacted with a Hanford supernatant simulant. Particles coated with the crystalline silico-titanate were identified by Bradtec as having the highest capacity for cesium removal under the conditions tested (variation of pH, ionic strength, cesium concentration, and absorbent/solution ratio). The MAG*SEP{sup SM} particles coated with resorcinol formaldehyde had high distribution ratios values and could also be used to remove cesium from Hanford supernant simulant. Gamma irradiation studies were performed on the MAG*SEP{sup SM} particles with a gamma dose equivalent to 100 cycles of use. This irradiation decreased the loading capacity and distribution ratios for the particles by greater than 75%. The particles demonstrated high sensitivity to radiolytic damage due to the degradation of the polymeric regions. These results were supported by optical microscopy measurements. Overall, use of magnetic particles for cesium separation under nuclear waste conditions was found to be marginally effective.

  19. As fast and selective as enzymatic ligations: unpaired nucleobases increase the selectivity of DNA-controlled native chemical PNA ligation.

    PubMed

    Ficht, Simon; Dose, Christian; Seitz, Oliver

    2005-11-01

    DNA-controlled reactions offer interesting opportunities in biological, chemical, and nanosciences. In practical applications, such as in DNA sequence analysis, the sequence fidelity of the chemical-ligation reaction is of central importance. We present a ligation reaction that is as fast as and much more selective than enzymatic T4 ligase-mediated oligonucleotide ligations. The selectivity was higher than 3000-fold in discriminating matched from singly mismatched DNA templates. It is demonstrated that this enormous selectivity is the hallmark of the particular ligation architecture, which is distinct from previous ligation architectures designed as "nick ligations". Interestingly, the fidelity of the native chemical ligation of peptide nucleic acids was increased by more than one order of magnitude when performing the ligation in such a way that an abasic-site mimic was formed opposite an unpaired template base. It is shown that the high sequence fidelity of the abasic ligation could facilitate the MALDI-TOF mass-spectrometric analysis of early cancer onset by allowing the detection of as little as 0.2 % of single-base mutant DNA in the presence of 99.8 % wild-type DNA.

  20. Thermodynamics of chemical reactions with COSMO-RS: the extreme case of charge separation or recombination.

    PubMed

    Deglmann, Peter; Schenk, Stephan

    2012-05-30

    Many technically relevant chemical processes in the condensed phase involve as elementary reactive steps the formation of ions from neutral species or, as the opposite, recombination of ions. Such reactions that generate or annihilate charge defy the standard gas phase quantum chemical treatment, and also continuum solvation models are only partially able to account for the right amount of stabilization in solution. In this work, for such types of reaction, a solvation treatment involving the COSMO-RS method is assessed, which leads to improved results, i.e., errors of only around 10 kJ/mol for both protic and aprotic solvents. The examples discussed here comprise protolysis reactions and organo halide heterolysis, for both of which a comparison with reliable experimental data is possible. It is observed that for protolysis, the quality of results does not strongly depend on the quantum chemical method used for energy calculation. In contrast, in the case of heterolytic carbon-chlorine bond cleavage, clearly better results are obtained for higher correlated (coupled cluster) methods or the density functional M06-2X, which is well known for its accuracy if applied to organic chemistry. This hints at least that the right answer is obtained for the right reason and not due to a compensation of errors from gas phase thermodynamics with those from the solvation treatment. Problems encountered with certain critical solvents or upon decomposing Gibbs free energies into heats or entropies of reaction are found to relate mostly to the parameterization of the H-bonding term within COSMO-RS.

  1. A new sampler for collecting separate dry and wet atmospheric depositions of trace organic chemicals

    NASA Astrophysics Data System (ADS)

    Waite, Don T.; Cessna, Allan J.; Gurprasad, Narine P.; Banner, James

    Studies conducted in Saskatchewan and elsewhere have demonstrated the atmospheric transport of agricultural pesticides and other organic contaminants and their deposition into aquatic ecosystems. To date these studies have focused on ambient concentrations in the atmosphere and in wet precipitation. To measure the dry deposition of organic chemicals, a new sampler was designed which uses a moving sheet of water to passively trap dry particles and gasses. The moving sheet of water drains into a reservoir and, during recirculation through the sampler, is passed through an XAD-2 resin column which adsorbs the trapped organic contaminants. All surfaces which contact the process water are stainless steel or Teflon. Chemicals collected can be related to airborne materials depositing into aquatic ecosystems. The sampler has received a United States patent (number 5,413,003 - 9 May 1996) with the Canadian patent pending. XAD-2 resin adsorption efficiencies for 10 or 50 μg fortifications of ten pesticides ranged from 76% for atrazine (2-chloro-4-ethylamino-6-isopropylamino- S-triazine) to 110% for triallate [ S-(2,3,3-trichloro-2-phenyl)bis(1-methylethyl)carbamothioate], dicamba (2-methoxy-3,6-dichlorobenzoic acid) and toxaphene (chlorinated camphene mixture). Field testing using duplicate samplers showed good reproducibility and amounts trapped were consistent with those from high volume and bulk pan samplers located on the same site. Average atmospheric dry deposition rates of three chemicals, collected for 5 weeks in May and June, were: dicamba, 69 ng m -2 da -1; 2,4-D (2,4-dichlorophenoxyacetic acid), 276 ng m -2 da -1: and, γ-HCH ( γ-1, 2, 3, 4, 5, 6-hexachlorocyclohexane), 327 ng m -2 da -1.

  2. Two Distinctly Separated Emission Colorimetric NIR Fluorescent Probe for Fast Hydrazine Detection in Living Cells and Mice upon Independent Excitations.

    PubMed

    Lu, Zhengliang; Fan, Wenlong; Shi, Xiaomin; Lu, Yanan; Fan, Chunhua

    2017-09-19

    Hydrazine is carcinogenic and highly toxic so that it can lead to serious environmental contamination and serious health risks although it has been extensively used as an effective propellant and an important reactive base in industry. Thus, the development of two-emission NIR fluorescent probes for rapid detection of hydrazine with high selectivity and sensitivity is of significance and of great challenge in both biological and environmental sciences. Here, we report a two-emission colorimetric fluorescent probe for the specific detection of hydrazine based on hydrazinolysis reaction under physiological conditions. In the presence of hydrazine, the probe showed an extremely remarkable fluorescence enhancement at 627 nm compared to the decrease at 814 nm excited at different wavelength in aqueous solution. This distinct difference of two emission intensities is suitable for detection of low concentration hydrazine with a detection limit of 0.38 ppb. Addition of hydrazine resulted in a remarkable color change from blue-green to red observed by the naked eye. Kinetic study indicated a fast response of the probe toward hydrazine in minutes. Furthermore, the probe can bioimage hydrazine in living HeLa cells and mice with low cytotoxicity and excellent biocompatibility.

  3. Indirectly detected chemical shift correlation NMR spectroscopy in solids under fast magic angle spinning

    SciTech Connect

    Mao, Kanmi

    2011-01-01

    The development of fast magic angle spinning (MAS) opened up an opportunity for the indirect detection of insensitive low-γ nuclei (e.g., 13C and 15N) via the sensitive high-{gamma} nuclei (e.g., 1H and 19F) in solid-state NMR, with advanced sensitivity and resolution. In this thesis, new methodology utilizing fast MAS is presented, including through-bond indirectly detected heteronuclear correlation (HETCOR) spectroscopy, which is assisted by multiple RF pulse sequences for 1H-1H homonuclear decoupling. Also presented is a simple new strategy for optimization of 1H-1H homonuclear decoupling. As applications, various classes of materials, such as catalytic nanoscale materials, biomolecules, and organic complexes, are studied by combining indirect detection and other one-dimensional (1D) and two-dimensional (2D) NMR techniques. Indirectly detected through-bond HETCOR spectroscopy utilizing refocused INEPT (INEPTR) mixing was developed under fast MAS (Chapter 2). The time performance of this approach in 1H detected 2D 1H{l_brace}13C{r_brace} spectra was significantly improved, by a factor of almost 10, compared to the traditional 13C detected experiments, as demonstrated by measuring naturally abundant organic-inorganic mesoporous hybrid materials. The through-bond scheme was demonstrated as a new analytical tool, which provides complementary structural information in solid-state systems in addition to through-space correlation. To further benefit the sensitivity of the INEPT transfer in rigid solids, the combined rotation and multiple-pulse spectroscopy (CRAMPS) was implemented for homonuclear 1H decoupling under fast MAS (Chapter 3). Several decoupling schemes (PMLG5m$\\bar{x}$, PMLG5mm$\\bar{x}$x and SAM3) were analyzed to maximize the performance of through-bond transfer based

  4. Chemical abundances of fast-rotating massive stars. I. Description of the methods and individual results

    NASA Astrophysics Data System (ADS)

    Cazorla, Constantin; Morel, Thierry; Nazé, Yaël; Rauw, Gregor; Semaan, Thierry; Daflon, Simone; Oey, M. S.

    2017-07-01

    Aims: Recent observations have challenged our understanding of rotational mixing in massive stars by revealing a population of fast-rotating objects with apparently normal surface nitrogen abundances. However, several questions have arisen because of a number of issues, which have rendered a reinvestigation necessary; these issues include the presence of numerous upper limits for the nitrogen abundance, unknown multiplicity status, and a mix of stars with different physical properties, such as their mass and evolutionary state, which are known to control the amount of rotational mixing. Methods: We have carefully selected a large sample of bright, fast-rotating early-type stars of our Galaxy (40 objects with spectral types between B0.5 and O4). Their high-quality, high-resolution optical spectra were then analysed with the stellar atmosphere modelling codes DETAIL/SURFACE or CMFGEN, depending on the temperature of the target. Several internal and external checks were performed to validate our methods; notably, we compared our results with literature data for some well-known objects, studied the effect of gravity darkening, or confronted the results provided by the two codes for stars amenable to both analyses. Furthermore, we studied the radial velocities of the stars to assess their binarity. Results: This first part of our study presents our methods and provides the derived stellar parameters, He, CNO abundances, and the multiplicity status of every star of the sample. It is the first time that He and CNO abundances of such a large number of Galactic massive fast rotators are determined in a homogeneous way. Based on observations obtained with the Heidelberg Extended Range Optical Spectrograph (HEROS) at the Telescopio Internacional de Guanajuato (TIGRE) with the SOPHIE échelle spectrograph at the Haute-Provence Observatory (OHP; Institut Pytheas; CNRS, France), and with the Magellan Inamori Kyocera Echelle (MIKE) spectrograph at the Magellan II Clay telescope

  5. Real-Time Volumetric Phase Monitoring: Advancing Chemical Analysis by Countercurrent Separation.

    PubMed

    Pauli, Guido F; Pro, Samuel M; Chadwick, Lucas R; Burdick, Thomas; Pro, Luke; Friedl, Warren; Novak, Nick; Maltby, John; Qiu, Feng; Friesen, J Brent

    2015-07-21

    Countercurrent separation (CCS) utilizes the differential partitioning behavior of analytes between two immiscible liquid phases. We introduce the first platform ("CherryOne") capable of real-time monitoring, metering, and control of the dynamic liquid-liquid CCS process. Automated phase monitoring and volumetrics are made possible with an array of sensors, including the new permittivity-based phase metering apparatus (PMA). Volumetric data for each liquid phase are converted into a dynamic real-time display of stationary phase retention (Sf) and eluent partition coefficients (K), which represent critical parameters of CCS reproducibility. When coupled with the elution-extrusion operational mode (EECCC), automated Sf and K determination empowers untargeted and targeted applications ranging from metabolomic analysis to preparative purifications.

  6. Polymeric nanopore membranes for hydrophobicity-based separations by conformal initiated chemical vapor deposition.

    PubMed

    Asatekin, Ayse; Gleason, Karen K

    2011-02-09

    High-aspect ratio hydrophobic, cylindrical nanopores having diameters as low as 5 nm are rapidly fabricated using conformal vapor deposition of fluorinated polymeric layers into porous track-etched polycarbonate membranes. The resultant selectivity of these membranes for pairs of small molecules of similar size, but of different hydrophobicity, arises from solute-pore wall interactions emphasized by confinement. Increasing selectivity was observed as pore diameter decreased and as the surface of the pore became more hydrophobic. Cylindrical pores provided higher selectivity than bottleneck-shaped pores having the same minimum diameter. A maximum selectivity of 234 was achieved between mesitylene and phloroglucinol by the best performing membrane. Membranes with small fluorinated pores exhibited an effective cutoff based on the polar surface area of the molecules, with limited correlation with solute size. This technology could lead to a new generation of membrane separations based on specific interactions.

  7. Chemical and isotopic fractionation by grain size separates. [in interstellar medium

    NASA Technical Reports Server (NTRS)

    Clayton, D. D.

    1980-01-01

    Fractionation of refractory elements according to grain size is argued to occur during their growth. Two major modes should exist: (1) during thermal condensation sequences whenever the condensing phase (e.g. Mg2SiO4) does not alloy with the precondensed phase (e.g. MgAl2O4); (2) during accretion of gaseous atoms in the nonequilibrated interstellar medium. Processes dynamically sorting grains according to size (e.g. sedimentation) therefore are potentially capable of achieving fractionations normally attributed to separations of dust and gas. This paper considers the first mode during supernova condensation; however, it also can occur in an equilibrium solar condensation sequence owing to an overlooked freedom in that simplified description.

  8. [Preparation of strong cation exchange packings based on monodisperse hydrophilic non-porous resins and their application for fast separation of proteins].

    PubMed

    Zhu, Jinxia; Bo, Chunmiao; Gong, Bolin

    2006-03-01

    Monodisperse, 3.0 microm non-porous hydrophilic poly (glycidylmethacrylate-co-ethylenedimethacrylate) particles were prepared by an one-step swelling and polymerization method. The particles were modified to be a strong cation exchange (SCX) stationary phase for high performance liquid chromatography (HPLC) in the following steps. First, the particles were completely hydrolyzed. Second, the hydrolyzed particles were treated with epichlorhydrin followed by another hydrolysis of the newly introduced epoxide groups. Third, the particles were reacted with chlorosulfonic acid. The SCX stationary phase was evaluated in light of the ion exchange property, separability and hydrophilicity on the separation and retention of proteins in detail. Four proteins were quickly separated in 1.0 min with linear gradient elution using the synthesized SCX stationary phase. It was found that it followed ion exchange chromatographic (IEC) retention mechanism. The SCX resin was used for the fast purification of lysozyme from egg white and cytochrome-C from pig heart in 3.0 min with only one step. The results obtained were satisfactory.

  9. Separating double-beta decay events from solar neutrino interactions in a kiloton-scale liquid scintillator detector by fast timing

    NASA Astrophysics Data System (ADS)

    Elagin, Andrey; Frisch, Henry J.; Naranjo, Brian; Ouellet, Jonathan; Winslow, Lindley; Wongjirad, Taritree

    2017-03-01

    We present a technique for separating nuclear double beta decay (ββ -decay) events from background neutrino interactions due to 8B decays in the sun. This background becomes dominant in a kiloton-scale liquid-scintillator detector deep underground and is usually considered as irreducible due to an overlap in deposited energy with the signal. However, electrons from 0 νββ -decay often exceed the Cherenkov threshold in liquid scintillator, producing photons that are prompt and correlated in direction with the initial electron direction. The use of large-area fast photodetectors allows some separation of these prompt photons from delayed isotropic scintillation light and, thus, the possibility of reconstructing the event topology. Using a simulation of a 6.5 m radius liquid scintillator detector with 100 ps resolution photodetectors, we show that a spherical harmonics analysis of early-arrival light can discriminate between 0 νββ -decay signal and 8B solar neutrino background events on a statistical basis. Good separation will require the development of a slow scintillator with a 5 ns risetime.

  10. Quantifying components of the hydrologic cycle in Virginia using chemical hydrograph separation and multiple regression analysis

    USGS Publications Warehouse

    Sanford, Ward E.; Nelms, David L.; Pope, Jason P.; Selnick, David L.

    2012-01-01

    This study by the U.S. Geological Survey, prepared in cooperation with the Virginia Department of Environmental Quality, quantifies the components of the hydrologic cycle across the Commonwealth of Virginia. Long-term, mean fluxes were calculated for precipitation, surface runoff, infiltration, total evapotranspiration (ET), riparian ET, recharge, base flow (or groundwater discharge) and net total outflow. Fluxes of these components were first estimated on a number of real-time-gaged watersheds across Virginia. Specific conductance was used to distinguish and separate surface runoff from base flow. Specific-conductance data were collected every 15 minutes at 75 real-time gages for approximately 18 months between March 2007 and August 2008. Precipitation was estimated for 1971–2000 using PRISM climate data. Precipitation and temperature from the PRISM data were used to develop a regression-based relation to estimate total ET. The proportion of watershed precipitation that becomes surface runoff was related to physiographic province and rock type in a runoff regression equation. Component flux estimates from the watersheds were transferred to flux estimates for counties and independent cities using the ET and runoff regression equations. Only 48 of the 75 watersheds yielded sufficient data, and data from these 48 were used in the final runoff regression equation. The base-flow proportion for the 48 watersheds averaged 72 percent using specific conductance, a value that was substantially higher than the 61 percent average calculated using a graphical-separation technique (the USGS program PART). Final results for the study are presented as component flux estimates for all counties and independent cities in Virginia.

  11. Emissions of Volatile Organic Compounds (VOCs) from Animal Husbandry: Chemical Compositions, Separation of Sources and Animal Types

    NASA Astrophysics Data System (ADS)

    Yuan, B.; Coggon, M.; Koss, A.; Warneke, C.; Eilerman, S. J.; Neuman, J. A.; Peischl, J.; Aikin, K. C.; Ryerson, T. B.; De Gouw, J. A.

    2016-12-01

    Concentrated animal feeding operations (CAFOs) are important sources of volatile organic compounds (VOCs) in the atmosphere. We used a hydronium ion time-of-flight chemical ionization mass spectrometer (H3O+ ToF-CIMS) to measure VOC emissions from CAFOs in the Northern Front Range of Colorado during an aircraft campaign (SONGNEX) for regional contributions and from a mobile laboratory sampling for chemical characterizations of individual animal feedlots. The main VOCs emitted from CAFOs include carboxylic acids, alcohols, carbonyls, phenolic species, sulfur- and nitrogen-containing species. Alcohols and carboxylic acids dominate VOC concentrations. Sulfur-containing and phenolic species become more important in terms of odor activity values and NO3 reactivity, respectively. The high time-resolution mobile measurements allow the separation of the sources of VOCs from different parts of the operations occurring within the facilities. We show that the increase of ethanol concentrations were primarily associated with feed storage and handling. We apply a multivariate regression analysis using NH3 and ethanol as tracers to attribute the relative importance of animal-related emissions (animal exhalation and waste) and feed-related emissions (feed storage and handling) for different VOC species. Feed storage and handling contribute significantly to emissions of alcohols, carbonyls and carboxylic acids. Phenolic species and nitrogen-containing species are predominantly associated with animals and their waste. VOC ratios can be potentially used as indicators for the separation of emissions from dairy and beef cattle from the regional aircraft measurements.

  12. Highly sensitive MoTe2 chemical sensor with fast recovery rate through gate biasing

    NASA Astrophysics Data System (ADS)

    Feng, Zhihong; Xie, Yuan; Chen, Jiancui; Yu, Yuanyuan; Zheng, Shijun; Zhang, Rui; Li, Quanning; Chen, Xuejiao; Sun, Chongling; Zhang, Hao; Pang, Wei; Liu, Jing; Zhang, Daihua

    2017-06-01

    The unique properties of two dimensional (2D) materials make them promising candidates for chemical and biological sensing applications. However, most 2D nanomaterial sensors suffer very long recovery time due to slow molecular desorption at room temperature. Here, we report a highly sensitive molybdenum ditelluride (MoTe2) gas sensor for NO2 and NH3 detection with greatly enhanced recovery rate. The effects of gate bias on sensing performance have been systematically studied. It is found that the recovery kinetics can be effectively adjusted by biasing the sensor to different gate voltages. Under the optimum biasing potential, the MoTe2 sensor can achieve more than 90% recovery after each sensing cycle well within 10 min at room temperature. The results demonstrate the potential of MoTe2 as a promising candidate for high-performance chemical sensors. The idea of exploiting gate bias to adjust molecular desorption kinetics can be readily applied to much wider sensing platforms based on 2D nanomaterials.

  13. Fast stochastic simulation of biochemical reaction systems by alternative formulations of the chemical Langevin equation.

    PubMed

    Mélykúti, Bence; Burrage, Kevin; Zygalakis, Konstantinos C

    2010-04-28

    The Chemical Langevin Equation (CLE), which is a stochastic differential equation driven by a multidimensional Wiener process, acts as a bridge between the discrete stochastic simulation algorithm and the deterministic reaction rate equation when simulating (bio)chemical kinetics. The CLE model is valid in the regime where molecular populations are abundant enough to assume their concentrations change continuously, but stochastic fluctuations still play a major role. The contribution of this work is that we observe and explore that the CLE is not a single equation, but a parametric family of equations, all of which give the same finite-dimensional distribution of the variables. On the theoretical side, we prove that as many Wiener processes are sufficient to formulate the CLE as there are independent variables in the equation, which is just the rank of the stoichiometric matrix. On the practical side, we show that in the case where there are m(1) pairs of reversible reactions and m(2) irreversible reactions there is another, simple formulation of the CLE with only m(1) + m(2) Wiener processes, whereas the standard approach uses 2(m(1) + m(2)). We demonstrate that there are considerable computational savings when using this latter formulation. Such transformations of the CLE do not cause a loss of accuracy and are therefore distinct from model reduction techniques. We illustrate our findings by considering alternative formulations of the CLE for a human ether a-go-go related gene ion channel model and the Goldbeter-Koshland switch.

  14. Chemical components separation with botulinum toxin A: a novel technique to improve primary fascial closure rates of the open abdomen.

    PubMed

    Zielinski, M D; Goussous, N; Schiller, H J; Jenkins, D

    2013-02-01

    Failure to definitively close the open abdomen (OA) after damage control laparotomy leads to considerable morbidity and mortality. We have developed a novel technique, the "chemical components separation," which incorporates injection of botulinum toxin A (BTX), a long-term flaccid paralytic, into the lateral abdominal wall musculature. This is a retrospective review of all OA patients (age ≥18) from December 2009-June 2010 who underwent BTX injection. Under ultrasound guidance, a total of 300 units of BTX were injected into the external oblique, internal oblique and transversus abdominus. A total of 18 patients were injected with a median age of 66 years (56 % male). Indications for OA treatment included questionable bowel viability (39 %), shock (33 %), loss of abdominal domain (6 %) and feculent contamination (17 %). Median ASA score was 3 with an APACHE 3 score of 85. Patients underwent a median of 4 serial abdominal explorations. The primary fascial closure rate was 83 % with a partial fascial closure rate of 6 % and planned ventral hernia rate of 11 %. Of the 9 patients injected within 24 h of their initial OA procedure, 89 % achieved primary fascial closure. Mortality was 11 %; death was unrelated to BTX injection. The overall complication rate was 67 %; specific complications rates included fascial dehiscence (11 %), enterocutaneous fistula development (0 %), intra-abdominal abscess (44 %) and deep surgical site infection (33 %). The "chemical components separation" technique described is safe and avoids the extensive dissection necessary for mechanical components separation in critically ill patients with infected/contaminated abdominal domains. While further evaluation is required, the described technique provides potential to improve delayed primary fascial closure rates in the OA setting.

  15. The production of chemicals from food processing wastes using a novel fermenter separator. Annual progress report, January 1993--March 1994

    SciTech Connect

    Dale, M.C.; Venkatesh, K.V.; Choi, H.; Salicetti-Piazza, L.; Borgos-Rubio, N.; Okos, M.R.; Wankat, P.C.

    1994-03-15

    The basic objective of this project is to convert waste streams from the food processing industry to usable fuels and chemicals using novel bioreactors. These bioreactors should allow economical utilization of waste (whey, waste sugars, waste starch, bottling wastes, candy wastes, molasses, and cellulosic wastes) by the production of ethanol, acetone/butanol, organic acids (acetic, lactic, and gluconic), yeast diacetyl flavor, and antifungal compounds. Continuous processes incorporating various processing improvements such as simultaneous product separation and immobilized cells are being developed to allow commercial scale utilization of waste stream. The production of ethanol by a continuous reactor-separator is the process closest to commercialization with a 7,500 liter pilot plant presently sited at an Iowa site to convert whey lactose to ethanol. Accomplishments during 1993 include installation and start-up of a 7,500 liter ICRS for ethanol production at an industry site in Iowa; Donation and installation of a 200 liter yeast pilot Plant to the project from Kenyon Enterprises; Modeling and testing of a low energy system for recovery of ethanol from vapor is using a solvent absorption/extractive distillation system; Simultaneous saccharification/fermentation of raw corn grits and starch in a stirred reactor/separator; Testing of the ability of `koji` process to ferment raw corn grits in a `no-cook` process.

  16. Combined Reversed Phase HPLC, Mass Spectrometry, and NMR Spectroscopy for a Fast Separation and Efficient Identification of Phosphatidylcholines

    PubMed Central

    Willmann, Jan; Thiele, Herbert; Leibfritz, Dieter

    2011-01-01

    In respect of the manifold involvement of lipids in biochemical processes, the analysis of intact and underivatised lipids of body fluids as well as cell and tissue extracts is still a challenging task, if detailed molecular information is required. Therefore, the advantage of combined use of high-pressure liquid chromatography (HPLC), mass spectrometry (MS), and nuclear magnetic resonance (NMR) spectroscopy will be shown analyzing three different types of extracts of the ubiquitous membrane component phosphatidylcholine. At first, different reversed phase modifications were tested on phosphatidylcholines (PC) with the same effective carbon number (ECN) for their applicability in lipid analysis. The results were taken to improve the separation of three natural PC extract types and a new reversed phase (RP)-HPLC method was developed. The individual species were characterized by one- and two-dimensional NMR and positive or negative ion mode quadrupole time of flight (q-TOF)-MS as well as MS/MS techniques. Furthermore, ion suppression effects during electrospray ionisation (ESI), difficulties, limits, and advantages of the individual analytical techniques are addressed. PMID:20871812

  17. Nanoporous Au-Ag shell with fast kinetics: integrating chemical and plasmonic catalysis.

    PubMed

    Yang, Wenpeng; Wu, Ke; Yang, Weimin; Wang, Hailing; Lv, Xianglong; Qian, Lihua; Yu, Tianshui; Li, Zengquan; Zhou, Xiangji; Barasa, Godfrey Okumu; Yuan, S L; Jiang, Yingtao; Yang, Zhilin

    2017-08-07

    Nanoporous noble metals and alloys are widely utilized as efficient catalysts, because they have high surface-to-volume ratios for surfficient active sites and induce molecule polarization through plasmon excitation as well. Herein we demonstrate one approach to fabricate nanoporous Au-Ag shell. Such material represents the dual functions serving as efficient catalysts and high-performance surface-enhanced Raman scattering (SERS) substrate. In-situ spectrum acquisition can track the conversion of p-nitrothiophenol to 4, 4'-dimercapto-azobenzene at ambient temperature. In particular, as a result of chemcial catalysis of Ag elements and strong plasmon-molecule coupling, catalytic kinetics of nanoporous Au-Ag shell is 79.2-123.8 times faster than Au nanoparticles, and 2.2-3.3 times faster than Ag nanoparticles. This investigation offers a route to design superior catalysts to integrate chemical and plasmonic catalysis. © 2017 IOP Publishing Ltd.

  18. Fast Differential Analysis of Propolis Using Surface Desorption Atmospheric Pressure Chemical Ionization Mass Spectrometry

    PubMed Central

    Huang, Xue-yong; Guo, Xia-li; Luo, Huo-lin; Fang, Xiao-wei; Zhu, Teng-gao; Zhang, Xing-lei; Chen, Huan-wen; Luo, Li-ping

    2015-01-01

    Mass spectral fingerprints of 24 raw propolis samples, including 23 from China and one from the United States, were directly obtained using surface desorption atmospheric pressure chemical ionization mass spectrometry (SDAPCI-MS) without sample pretreatment. Under the optimized experimental conditions, the most abundant signals were detected in the mass ranges of 70 to 500 m/z and 200 to 350 m/z, respectively. Principal component analyses (PCA) for the two mass ranges showed similarities in that the colors had a significant correlation with the first two PCs; in contrast there was no correlation with the climatic zones from which the samples originated. Analytes such as chrysin, pinocembrin, and quercetin were detected and identified using multiple stage mass spectrometry within 3 min. Therefore, SDAPCI-MS can be used for rapid and reliable high-throughput analysis of propolis. PMID:26339245

  19. [Fast separation and identification of nine carcinogenic dyes in textiles using liquid chromatography-electrospray tandem mass spectrometry].

    PubMed

    Ding, Youchao; Cao, Xizhong; Wu, Lina; Zhang, Qian

    2008-09-01

    A qualitative method of the identification of nine carcinogenic dyes prohibited in textiles was developed using high performance liquid chromatography-tandem mass spectrometry interfaced with electro-spray ionization (HPLC-ESI-MS/MS) in the selective reaction monitoring (SRM) mode. The dyes were extracted from textiles composed of natural or chemical fibers by methanol under ultrasounication, and then eluted with gradient by acetonitrile and 5 mmol/L ammonium acetate from an RP-C18 column with two segments in effluents. The first effluents accommodated Acid Red 26, Direct Blue 6, Direct Black 38 and Direct Red 28 with negative ionization mode, while the second accommodated Basic Red 9, Basic Violet 14, Disperse Blue 1, Disperse Orange 11 and Disperse Yellow 3 with positive ionization mode. Thus the investigated compounds could be identified simultaneously with single-run analysis no matter which type of the fibre the sample was and no matter which category of the dye the analyte was. The established method was successfully applied to identify the carcinogenic dyes in textile samples through comparing the chromatographic retention time and the relative abundance of characteristic product ions with the standards.

  20. The effects of separate and combined dietary weight loss and exercise on fasting ghrelin concentrations in overweight and obese women: a randomized controlled trial.

    PubMed

    Mason, Caitlin; Xiao, Liren; Imayama, Ikuyo; Duggan, Catherine R; Campbell, Kristin L; Kong, Angela; Wang, Ching-Yun; Alfano, Catherine M; Blackburn, George L; Foster-Schubert, Karen E; McTiernan, Anne

    2015-03-01

    Compensatory metabolic changes that accompany weight loss, for example, increased ghrelin, contribute to weight regain and difficulty in long-term weight loss maintenance; however, the separate effects of long-term caloric restriction and exercise on total circulating ghrelin in humans are unknown. A 12-month randomized controlled trial comparing: i) dietary weight loss with a 10% weight loss goal ('diet'; n = 118); ii) moderate-to-vigorous intensity aerobic exercise for 45 min/day, 5 days/week ('exercise'; n = 117); iii) dietary weight loss and exercise ('diet + exercise'; n = 117); or iv) no-lifestyle-change control (n = 87). 439 overweight or obese postmenopausal women (50-75 y). Fasting total serum ghrelin was measured by radioimmunoassay at baseline and 12 months. Fasting serum leptin, adiponectin and insulin were also measured. Fasting total ghrelin significantly increased in the diet + exercise arm (+7·4%, P = 0·008) but not in either the diet (+6·5%, P = 0·07) or exercise (+1·0%, P = 0·53) arms compared with control. Greater weight loss was associated with increased ghrelin concentrations, regardless of intervention. Neither baseline ghrelin nor body composition modified the intervention effects on changes in total ghrelin. The 12-month change in total ghrelin was inversely associated with changes in leptin, insulin and insulin resistance, and positively associated with change in adiponectin. Greater weight loss, achieved through a reduced calorie diet or exercise, is associated with increased total ghrelin concentrations in overweight or obese postmenopausal women. © 2014 John Wiley & Sons Ltd.

  1. The effects of separate and combined dietary weight loss and exercise on fasting ghrelin concentrations in overweight and obese women: a randomized controlled trial

    PubMed Central

    Mason, Caitlin; Xiao, Liren; Imayama, Ikuyo; Duggan, Catherine R.; Campbell, Kristin L.; Kong, Angela; Wang, Ching-Yun; Alfano, Catherine M.; Blackburn, George L.; Foster-Schubert, Karen E.; McTiernan, Anne

    2014-01-01

    Objective Compensatory metabolic changes that accompany weight loss, e.g., increased ghrelin, contribute to weight regain and difficulty in long-term weight loss maintenance; however, the separate effects of long-term caloric restriction and exercise on total circulating ghrelin in humans is unknown. Design A 12-month randomized controlled trial comparing: i) dietary weight loss with a 10% weight loss goal (‘diet’; n=118); ii) moderate-to-vigorous intensity aerobic exercise for 45 min/day, 5 days/week (‘exercise’; n=117); iii) dietary weight loss and exercise (‘diet + exercise’; n=117); or iv) no-lifestyle-change control (n=87). Participants: 439 overweight or obese postmenopausal women (50-75 y). Measurements Fasting total serum ghrelin was measured by radioimmunoassay at baseline and 12 months. Fasting serum leptin, adiponectin, and insulin were also measured. Results Fasting total ghrelin significantly increased in the diet + exercise arm (+7.4%, p=0.008) but not in either the diet (+6.5%, p=0.07) or exercise (+1.0%, p=0.53) arms compared to control. Greater weight loss was associated with increased ghrelin concentrations, regardless of intervention. Neither baseline ghrelin nor body composition modified the intervention effects on changes in total ghrelin. The 12-month change in total ghrelin was inversely associated with changes in leptin, insulin, and insulin resistance, and positively associated with change in adiponectin. Conclusions Greater weight loss, achieved through a reduced calorie diet or exercise, is associated with increased total ghrelin concentrations in overweight or obese postmenopausal women. PMID:24796864

  2. The production of fuels and chemicals from food processing wastes using a novel fermenter separator

    SciTech Connect

    Dale, M.C.; Venkatesh, K.V.; Choi, Hojoon; Moelhman, M.; Saliceti, L.; Okos, M.R.; Wankat, P.C.

    1991-12-01

    During 1991, considerable progress was made on the waste utilization project. Two small Wisconsin companies have expressed an interest in promoting and developing the ICRS technology. Pilot plant sites at (1) Hopkinton, IA, for a sweet whey plant, and Beaver Dam WI, for an acid whey site have been under development siting ICRS operations. The Hopkinton, IA site is owned and operated by Permeate Refining Inc., who have built a batch ethanol plant across the street from Swiss Valley Farms cheddar cheese operations. Permeate from Swiss Valley is piped across to PRI. PRI has signed a contract to site a 300--500,000 gallon/yr to ICRS pilot plant. They feel that the lower labor, lower energy, continuous process offered by the ICRS will substantially improve their profitability. Catalytics, Inc, is involved with converting whey from a Kraft cream cheese operation to ethanol and yeast. A complete project including whey concentration, sterilization, and yeast growth has been designed for this site. Process design improvements with the ICRS focussed on ethanol recovery techniques during this year's project. A solvent absorption/extractive distillation (SAED) process has been developed which offers the capability of obtaining an anhydrous ethanol product from vapors off 3 to 9% ethanol solutions using very little energy for distillation. Work on products from waste streams was also performed. a. Diacetyl as a high value flavor compound was very successfully produced in a Stirred Tank Reactor w/Separation. b. Yeast production from secondary carbohydrates in the whey, lactic acid, and glycerol was studied. c. Lactic acid production from cellulose and lactose studies continued. d. Production of anti-fungal reagents by immobilized plant cells; Gossypol has antifungal properties and is produced by G. arboretum.

  3. The Gaia-ESO Survey: Separating disk chemical substructures with cluster models. Evidence of a separate evolution in the metal-poor thin disk

    NASA Astrophysics Data System (ADS)

    Rojas-Arriagada, A.; Recio-Blanco, A.; de Laverny, P.; Schultheis, M.; Guiglion, G.; Mikolaitis, Š.; Kordopatis, G.; Hill, V.; Gilmore, G.; Randich, S.; Alfaro, E. J.; Bensby, T.; Koposov, S. E.; Costado, M. T.; Franciosini, E.; Hourihane, A.; Jofré, P.; Lardo, C.; Lewis, J.; Lind, K.; Magrini, L.; Monaco, L.; Morbidelli, L.; Sacco, G. G.; Worley, C. C.; Zaggia, S.; Chiappini, C.

    2016-02-01

    Context. Recent spectroscopic surveys have begun to explore the Galactic disk system on the basis of large data samples, with spatial distributions sampling regions well outside the solar neighborhood. In this way, they provide valuable information for testing spatial and temporal variations of disk structure kinematics and chemical evolution. Aims: The main purposes of this study are to demonstrate the usefulness of a rigorous mathematical approach to separate substructures of a stellar sample in the abundance-metallicity plane, and provide new evidence with which to characterize the nature of the metal-poor end of the thin disk sequence. Methods: We used a Gaussian mixture model algorithm to separate in the [Mg/Fe] vs. [Fe/H] plane a clean disk star subsample (essentially at RGC< 10 kpc) from the Gaia-ESO survey (GES) internal data release 2 (iDR2). We aim at decomposing it into data groups highlighting number density and/or slope variations in the abundance-metallicity plane. An independent sample of disk red clump stars from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) was used to cross-check the identified features. Results: We find that the sample is separated into five groups associated with major Galactic components; the metal-rich end of the halo, the thick disk, and three subgroups for the thin disk sequence. This is confirmed with the sample of red clump stars from APOGEE. The three thin disk groups served to explore this sequence in more detail. The two metal-intermediate and metal-rich groups of the thin disk decomposition ([Fe/H] > -0.25 dex) highlight a change in the slope at solar metallicity. This holds true at different radial regions of the Milky Way. The distribution of Galactocentric radial distances of the metal-poor part of the thin disk ([Fe/H] < -0.25 dex) is shifted to larger distances than those of the more metal-rich parts. Moreover, the metal-poor part of the thin disk presents indications of a scale height

  4. A Fast linking approach for CMYK to CMYK conversion preserving black separation in ICC color management system

    NASA Astrophysics Data System (ADS)

    Zeng, Huanzhao

    2003-12-01

    building high quality maps does not fit to the smart CMM workflow. A new approach is described in this paper to solve these problems. Instead of using a BtoAn tag from the destination profile for color transformation, a new tag is created to map colors in PCS (L*a*b* or XYZ) with different K values to different CMY values. A set of 3-D LUTs for different K values are created for the conversion from PCS to CMY, and 1-D LUTs are created for the conversion from luminance to K and to guide a CMM to perform the interpolation from KPCS (K plus PCS) to CMYK. The gamut mapping is performed in the step to create the profile, thus avoiding realtime gamut mapping in a CMM. With this approach, the black channel is preserved; the "Profile - PCS - Profile" approach is still valid; and the gamut mapping is not performed during linking in a CMM. Therefore, gamut mapping can be manually adjusted for high quality color mapping, the linking is almost as easy and fast as the standard linking, and the black channel is preserved.

  5. Rapid Determination of Fast Protein Dynamics from NMR Chemical Exchange Saturation Transfer Data.

    PubMed

    Gu, Yina; Hansen, Alexandar L; Peng, Yu; Brüschweiler, Rafael

    2016-02-24

    Functional motions of (15)N-labeled proteins can be monitored by solution NMR spin relaxation experiments over a broad range of timescales. These experiments however typically take of the order of several days to a week per protein. Recently, NMR chemical exchange saturation transfer (CEST) experiments have emerged to probe slow millisecond motions complementing R1ρ and CPMG-type experiments. CEST also simultaneously reports on site-specific R1 and R2 parameters. It is shown here how CEST-derived R1 and R2 relaxation parameters can be measured within a few hours at an accuracy comparable to traditional relaxation experiments. Using a "lean" version of the model-free approach S(2) order parameters can be determined that match those from the standard model-free approach applied to (15)N R1, R2 , and {(1)H}-(15)N NOE data. The new methodology, which is demonstrated for ubiquitin and arginine kinase (42 kDa), should serve as an effective screening tool of protein dynamics from picosecond-to-millisecond timescales.

  6. Fast chemical and isotopic exchange of nitrogen during reaction with hot molybdenum

    NASA Astrophysics Data System (ADS)

    Yokochi, Reika; Marty, Bernard

    2006-07-01

    Molybdenum crucibles are commonly used to extract nitrogen from geological samples by induction heating. Because nitrogen is known to be reactive with certain metals (e.g., Ti and Fe), we have tested the reactivity of gaseous nitrogen with a Mo crucible held at 1800°C. The consumption of nitrogen, determined by monitoring the N2/40Ar ratio of the gas phase, varied between 25 and 100%, depending on the reaction duration. Nitrogen of the reacted gas was found to be systematically enriched in 15N relative to 14N by 10‰ compared to the initial isotopic composition, without any correlation with nitrogen consumption. We propose that a rapid isotopic exchange occurs between nitrogen originally trapped in the crucible and nitrogen from the gas phase, which modifies the isotopic composition of the reacted gas. This process can significantly bias the isotopic determination of nitrogen in rocks and minerals when a Mo furnace is used for gas extraction. Meanwhile, the rate of N-Mo chemical bonding may be controlled by the formation of nitride (rather than solid solution), a process slower than the isotopic exchange. The use of a Mo furnace for the extraction of trace nitrogen from rocks and minerals should therefore be avoided.

  7. Monolayer MoSe2 grown by chemical vapor deposition for fast photodetection.

    PubMed

    Chang, Yung-Huang; Zhang, Wenjing; Zhu, Yihan; Han, Yu; Pu, Jiang; Chang, Jan-Kai; Hsu, Wei-Ting; Huang, Jing-Kai; Hsu, Chang-Lung; Chiu, Ming-Hui; Takenobu, Taishi; Li, Henan; Wu, Chih-I; Chang, Wen-Hao; Wee, Andrew Thye Shen; Li, Lain-Jong

    2014-08-26

    Monolayer molybdenum disulfide (MoS2) has become a promising building block in optoelectronics for its high photosensitivity. However, sulfur vacancies and other defects significantly affect the electrical and optoelectronic properties of monolayer MoS2 devices. Here, highly crystalline molybdenum diselenide (MoSe2) monolayers have been successfully synthesized by the chemical vapor deposition (CVD) method. Low-temperature photoluminescence comparison for MoS2 and MoSe2 monolayers reveals that the MoSe2 monolayer shows a much weaker bound exciton peak; hence, the phototransistor based on MoSe2 presents a much faster response time (<25 ms) than the corresponding 30 s for the CVD MoS2 monolayer at room temperature in ambient conditions. The images obtained from transmission electron microscopy indicate that the MoSe exhibits fewer defects than MoS2. This work provides the fundamental understanding for the differences in optoelectronic behaviors between MoSe2 and MoS2 and is useful for guiding future designs in 2D material-based optoelectronic devices.

  8. Laser-assisted chemical vapor deposition setup for fast synthesis of graphene patterns

    NASA Astrophysics Data System (ADS)

    Zhang, Chentao; Zhang, Jianhuan; Lin, Kun; Huang, Yuanqing

    2017-05-01

    An automatic setup based on the laser-assisted chemical vapor deposition method has been developed for the rapid synthesis of graphene patterns. The key components of this setup include a laser beam control and focusing unit, a laser spot monitoring unit, and a vacuum and flow control unit. A laser beam with precision control of laser power is focused on the surface of a nickel foil substrate by the laser beam control and focusing unit for localized heating. A rapid heating and cooling process at the localized region is induced by the relative movement between the focalized laser spot and the nickel foil substrate, which causes the decomposing of gaseous hydrocarbon and the out-diffusing of excess carbon atoms to form graphene patterns on the laser scanning path. All the fabrication parameters that affect the quality and number of graphene layers, such as laser power, laser spot size, laser scanning speed, pressure of vacuum chamber, and flow rates of gases, can be precisely controlled and monitored during the preparation of graphene patterns. A simulation of temperature distribution was carried out via the finite element method, providing a scientific guidance for the regulation of temperature distribution during experiments. A multi-layer graphene ribbon with few defects was synthesized to verify its performance of the rapid growth of high-quality graphene patterns. Furthermore, this setup has potential applications in other laser-based graphene synthesis and processing.

  9. Ultrafiltration separation of aquatic natural organic matter: chemical probes for quality assurance.

    PubMed

    Revchuk, Alex D; Suffet, I H Mel

    2009-08-01

    Characterization of molecular size of natural organic matter (NOM) is a valuable tool when assessing its effect on the performance of water treatment systems as well as its geochemical origin. Size fractionation can be accomplished by ultrafiltration (UF). Unfortunately, membrane manufacturing generates a range of pore sizes. Many membrane manufacturers use molecular weight cutoff (MWCO) metric based on a 90% retention of given solute after specified duration of filtration. The objective of this study was to characterize the ability of different commercially available UF membranes to separate different size fractions of NOM. The UF membranes characterized were YM (regenerated cellulose, negatively charged) and PB (polyethersulfone, negatively charged) product lines by Millipore. The probes used to represent the size, shape and charge of NOM were polymers (polyethylene glycols (PEGs), dextrans, polystyrene sulfonates (PSSs)), dyes (bromocresol green, congo red, methyl red, methyl orange) and biological molecules (vitamin B-12 and bacitracin). The results show that MWCO definition does not hold for membranes of 5kDa and 10kDa pore openings using most polymers and dyes. The MWCO definition holds for 1kDa membrane for all tested probes. Under natural water conditions PSSs assume random coil configurations that are nearly identical to Suwannee fulvic acid. The results show that PSS agrees with stated MWCOs. The study demonstrates that ultrafiltration is not a simple mechanical sieving process, but that charges on the membrane and the constituent play a significant role in the rejection process. Effective probe size was increased seven- to fourteen-fold by charge interactions between the negative probes and negatively charged membrane. Uncharged molecules larger than specified MWCOs are able to pass through pores (PEGs), while small charged molecules (dyes) do not pass. For probes with low or neutral charges, shape becomes an important factor, with globular being favored

  10. Adsorptive separation of rhodium(III) using Fe(III)-templated oxine type of chemically modified chitosan

    SciTech Connect

    Alam, M.S.; Inoue, Katsutoshi; Yoshizuka, Kazuharu; Ishibashi, Hideaki

    1998-03-01

    The oxine type of chemically modified chitosan was prepared by the template crosslinking method using Fe(III) as a template ion. Batchwise adsorption of rhodium(III) on this chemically modified chitosan was examined from chloride media in the absence and presence of a large amount of tin(II). It was observed that the Fe(III)-templated oxine type of chemically modified chitosan shows better performance for rhodium adsorption than that of the original chitosan. When Sn(II) is absent from the solution, Rh(III) is hardly adsorbed on the modified chitosan and the order of selectivity of the adsorption of Rh(III), Pt(IV), and Cu(II) was found to be Pt(IV) > Cu(II) {approx} Rh(III). On the other hand, adsorption of rhodium is significantly increased in the presence of Sn(II) and the selectivity order of the adsorption was drastically changed to Rh(III) > Pt(IV) {much_gt} Cu(II), which ensures selective separation of Rh(III) from their mixture. Adsorption of Rh(III) increases with an increase in the concentration of Sn(II) in the aqueous solution, and maximum adsorption is achieved at a molar ratio, [Sn]/[Rh], of >6. The adsorption of Rh(III) decreases at a high concentration of hydrochloric acid. The maximum adsorption capacity was evaluated to be 0.92 mol/kg-dry adsorbent. Stripping tests of rhodium from the loaded chemically modified chitosan were carried out using different kinds of stripping agents containing some oxidizing agent. The maximum stripping of rhodium under these experimental conditions was found to be 72.5% by a single contact with 0.5 M HCl + 8 M HNO{sub 3}.

  11. A fast and sensitive method for the separation of carotenoids using ultra-high performance supercritical fluid chromatography-mass spectrometry.

    PubMed

    Jumaah, Firas; Plaza, Merichel; Abrahamsson, Victor; Turner, Charlotta; Sandahl, Margareta

    2016-08-01

    In this study, a rapid and sensitive ultra-high performance supercritical fluid chromatography-mass spectrometry (UHPSFC-MS) method has been developed and partially validated for the separation of carotenoids within less than 6 min. Six columns of orthogonal selectivity were examined, and the best separation was obtained by using a 1-aminoanthracene (1-AA) column. The length of polyene chain as well as the number of hydroxyl groups in the structure of the studied carotenoids determines their differences in the physiochemical properties and thus the separation that is achieved on this column. All of the investigated carotenoids were baseline separated with resolution values greater than 1.5. The effects of gradient program, back pressure, and column temperature were studied with respect to chromatographic properties such as retention and selectivity. Electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) were compared in both positive and negative mode, using both direct infusion and hyphenated with UHPSFC. The ESI in positive mode provided the highest response. The coefficient of determination (R (2)) for all calibration curves were greater than 0.998. Limit of detection (LOD) was in the range of 2.6 and 25.2 ng/mL for α-carotene and astaxanthin, respectively, whereas limit of quantification (LOQ) was in the range of 7.8 and 58.0 ng/mL for α-carotene and astaxanthin, respectively. Repeatability and intermediate precision of the developed UHPSFC-MS method were determined and found to be RSD < 3 % and RSD < 6 %, respectively. The method was applied in order to determine carotenoids in supercritical fluid extracts of microalgae and rosehip. Graphical Abstract Ultra-high performance supercritical fluid chromatography-a rapid separation method for the analysis of carotenoids in rosehip and microalgae samples.

  12. Fast Lipid And Water Levels by Extraction with Spatial Smoothing (FLAWLESS): 3-D Volume Fat/Water Separation at 7T

    PubMed Central

    2011-01-01

    Purpose To quickly and robustly separate fat/water components of 7T MR images in the presence of field inhomogeneity for the study of metabolic disorders in small animals. Materials and Methods Starting with a Markov random field (MRF) based formulation for the three-point Dixon separation problem, we incorporated new implementation strategies, including stability tracking, multiresolution image pyramid, and improved initial value generation. We term the new method FLAWLESS (Fast Lipid And Water Levels by Extraction with Spatial Smoothing). Results Compared to non-MRF techniques, FLAWLESS decreased the fat-water swapping mistakes in all of the 3-D animal volumes that we tested. FLAWLESS converged in about 1/60th of the computation time of other MRF approaches. The initial value generation of FLAWLESS further improved robustness to field inhomogeneity in 3-D volume data. Conclusion We have developed a novel three-point Dixon technique found to be useful for high field small animal imaging. It is being used to assess lipid depots and metabolic disorders as a function of genes, diet, age, and therapy. PMID:21591017

  13. Development of New Generation of Ceramics for Environmentally Focused Chemical Separations

    NASA Astrophysics Data System (ADS)

    Ramakrishnan, Girish

    This dissertation focuses on the use of composite materials for environmental applications. For the first time, applications of both fresh and aged concrete as inexpensive adsorbents for nitrogen dioxide (NO2) removal is demonstrated. Concrete is the most widely used composite material of the modern era. Cement manufacturing (a major component of concrete) is considered to be one of the leading contributors to air pollution, resulting in 7% of the global carbon dioxide emissions along with a number of other harmful pollutants such as oxides, mercury and particulates. These emissions aide in the formation of acid rain, smog, and toxic ground level ozone, causing detrimental effects such as respiratory illnesses, visibility reduction, eutrification and global warming. This thesis offers a novel and sustainable solution in mitigating NOX emissions, by introducing the significant adsorption potential of recycled concrete. The work is based on both commercially available cement paste and already aged concrete samples, providing truly scalable solutions. The concrete samples aged for different periods of time were exposed to NO2 to measure their adsorption capacity. The results show that all of the concrete samples (fresh and aged) exhibited excellent NO2 adsorption capacity, with the fresh concrete samples removing almost 100% of the NO2. Furthermore, to compare the effects of long term aging, 12 year-old recently demolished concrete samples were obtained and its NOX removal was shown to be almost 60%. The experimental results provide evidence of nitrate and nitrite species formation from chemical reactions occurring between NO2 and surface alkaline species. This important discovery can be utilized for NO2 removal and subsequent NOX sequestered demolished concrete (NSDC) recycling in new concrete, either as a set accelerating admixture or as a corrosion inhibitor, a big leap towards better sustainability and longevity of the new reinforced concrete structures. The rest

  14. Optimal hydrograph separation using a recursive digital filter constrained by chemical mass balance, with application to selected Chesapeake Bay watersheds

    USGS Publications Warehouse

    Raffensperger, Jeff P.; Baker, Anna C.; Blomquist, Joel D.; Hopple, Jessica A.

    2017-06-26

    Quantitative estimates of base flow are necessary to address questions concerning the vulnerability and response of the Nation’s water supply to natural and human-induced change in environmental conditions. An objective of the U.S. Geological Survey National Water-Quality Assessment Project is to determine how hydrologic systems are affected by watershed characteristics, including land use, land cover, water use, climate, and natural characteristics (geology, soil type, and topography). An important component of any hydrologic system is base flow, generally described as the part of streamflow that is sustained between precipitation events, fed to stream channels by delayed (usually subsurface) pathways, and more specifically as the volumetric discharge of water, estimated at a measurement site or gage at the watershed scale, which represents groundwater that discharges directly or indirectly to stream reaches and is then routed to the measurement point.Hydrograph separation using a recursive digital filter was applied to 225 sites in the Chesapeake Bay watershed. The recursive digital filter was chosen for the following reasons: it is based in part on the assumption that groundwater acts as a linear reservoir, and so has a physical basis; it has only two adjustable parameters (alpha, obtained directly from recession analysis, and beta, the maximum value of the base-flow index that can be modeled by the filter), which can be determined objectively and with the same physical basis of groundwater reservoir linearity, or that can be optimized by applying a chemical-mass-balance constraint. Base-flow estimates from the recursive digital filter were compared with those from five other hydrograph-separation methods with respect to two metrics: the long-term average fraction of streamflow that is base flow, or base-flow index, and the fraction of days where streamflow is entirely base flow. There was generally good correlation between the methods, with some biased

  15. The production of chemicals from food processing wastes using a novel fermenter separator: Annual report, October 1986-October 1987

    SciTech Connect

    Not Available

    1988-05-01

    Fermentation costs (which increase with higher product concentration) traditionally must be balanced against product recovery costs (which decrease with product concentration). A novel reactor-separator process has been developed at Purdue University to minimize product inhibition of fermentation rates. This has been shown to exhibit very high productivities - simultaneously producing and removing a inhibitory product while maintaining a high viable cell concentration in the reactor. The objective of this study is to develop an energy efficient and economical process to convert food wastes to usable chemicals. Work is divided into two major efforts (a) an applied phase which involves design and building a whey to ethanol process as well as process design and optimization and (b) a basic phase which involves investigating alternative fermentation systems and fundamental research on immobilized cell reactor systems. Accomplishments are discussed. 116 refs., 80 figs., 22 tabs.

  16. T1-corrected fat quantification using chemical shift-based water/fat separation: application to skeletal muscle

    PubMed Central

    Karampinos, Dimitrios C.; Yu, Huzanzhou; Shimakawa, Ann; Link, Thomas M.; Majumdar, Sharmila

    2011-01-01

    Chemical shift based water/fat separation, like iterative decomposition of water and fat with echo asymmetry and least-squares estimation (IDEAL), has been proposed for quantifying intermuscular adipose tissue (IMAT). An important confounding factor in IDEAL-based IMAT quantification is the large difference in T1 between muscle and fat, which can cause significant overestimation in the fat fraction. This T1 bias effect is usually reduced by employing small flip angles. T1-correction can be performed by employing at least two different flip angles and fitting for T1 of water and fat. In the present work, a novel approach for the water/fat separation problem in a dual flip angle experiment is introduced and a new approach for the selection of the two flip angles, labeled as the unequal small flip angle approach, is developed, aiming to improve the noise efficiency of the T1-correction step relative to existing approaches. It is shown that the use of flip angles, selected such the muscle water signal is assumed to be T1-independent for the first flip angle and the fat signal is assumed to be T1-independent for the second flip angle, has superior noise performance to the use of equal small flip angles (no T1 estimation required) and the use of large flip angles (T1 estimation required). PMID:21452279

  17. Multispectral UV imaging for fast and non-destructive quality control of chemical and physical tablet attributes.

    PubMed

    Klukkert, Marten; Wu, Jian X; Rantanen, Jukka; Carstensen, Jens M; Rades, Thomas; Leopold, Claudia S

    2016-07-30

    Monitoring of tablet quality attributes in direct vicinity of the production process requires analytical techniques that allow fast, non-destructive, and accurate tablet characterization. The overall objective of this study was to investigate the applicability of multispectral UV imaging as a reliable, rapid technique for estimation of the tablet API content and tablet hardness, as well as determination of tablet intactness and the tablet surface density profile. One of the aims was to establish an image analysis approach based on multivariate image analysis and pattern recognition to evaluate the potential of UV imaging for automatized quality control of tablets with respect to their intactness and surface density profile. Various tablets of different composition and different quality regarding their API content, radial tensile strength, intactness, and surface density profile were prepared using an eccentric as well as a rotary tablet press at compression pressures from 20MPa up to 410MPa. It was found, that UV imaging can provide both, relevant information on chemical and physical tablet attributes. The tablet API content and radial tensile strength could be estimated by UV imaging combined with partial least squares analysis. Furthermore, an image analysis routine was developed and successfully applied to the UV images that provided qualitative information on physical tablet surface properties such as intactness and surface density profiles, as well as quantitative information on variations in the surface density. In conclusion, this study demonstrates that UV imaging combined with image analysis is an effective and non-destructive method to determine chemical and physical quality attributes of tablets and is a promising approach for (near) real-time monitoring of the tablet compaction process and formulation optimization purposes. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Improvement of Nannochloropsis oceanica growth performance through chemical mutation and characterization of fast growth physiology by transcriptome profiling

    NASA Astrophysics Data System (ADS)

    Liang, Sijie; Guo, Li; Lin, Genmei; Zhang, Zhongyi; Ding, Haiyan; Wang, Yamei; Yang, Guanpin

    2017-07-01

    Nannochloropsis oceanica promises to be an industrial-level producer of polyunsaturated fatty acids. In this study, the fastest and slowest growing N. oceanica mutants were selected through N-methyl-N'-nitro-N-nitrosoguanidine mutation, and two mutant strains and the wild type (WT) subjected to transcriptome profiling. It was found that the OD680 reads at stationary growth phase of both WT and its mutants were proportional to their cell density, thus indicating their division rate and growth speed during culture. This chemical mutation was effective for improving growth performance, and the fast strain divided faster by upregulating the expression of genes functioning in the cell cycle and downregulating genes involved in synthesis of amino acids, fatty acids, and sugars as well as the construction of ribosome and photosynthetic machinery. However, the relationship among the effected genes responsible for cell cycle, metabolism of fatty and amino acids, and construction of ribosome and photosynthetic machinery remained unclear. Further genetic studies are required for clarifying the genetic/metabolic networks underpinning the growth performance of N. oceanica. These findings demonstrated that this mutation strategy was effective for improving the growth performance of this species and explored a means of microalgal genetic improvement, particularly in species possessing a monoploid nucleus and asexual reproduction.

  19. Improvement of Nannochloropsis oceanica growth performance through chemical mutation and characterization of fast growth physiology by transcriptome profiling

    NASA Astrophysics Data System (ADS)

    Liang, Sijie; Guo, Li; Lin, Genmei; Zhang, Zhongyi; Ding, Haiyan; Wang, Yamei; Yang, Guanpin

    2016-09-01

    Nannochloropsis oceanica promises to be an industrial-level producer of polyunsaturated fatty acids. In this study, the fastest and slowest growing N. oceanica mutants were selected through N-methyl-N'-nitro-N-nitrosoguanidine mutation, and two mutant strains and the wild type (WT) subjected to transcriptome profiling. It was found that the OD680 reads at stationary growth phase of both WT and its mutants were proportional to their cell density, thus indicating their division rate and growth speed during culture. This chemical mutation was effective for improving growth performance, and the fast strain divided faster by upregulating the expression of genes functioning in the cell cycle and downregulating genes involved in synthesis of amino acids, fatty acids, and sugars as well as the construction of ribosome and photosynthetic machinery. However, the relationship among the effected genes responsible for cell cycle, metabolism of fatty and amino acids, and construction of ribosome and photosynthetic machinery remained unclear. Further genetic studies are required for clarifying the genetic/metabolic networks underpinning the growth performance of N. oceanica. These findings demonstrated that this mutation strategy was effective for improving the growth performance of this species and explored a means of microalgal genetic improvement, particularly in species possessing a monoploid nucleus and asexual reproduction.

  20. Fast changes in chemical composition and size distribution of fine particles during the near-field transport of industrial plumes.

    PubMed

    Marris, Hélène; Deboudt, Karine; Augustin, Patrick; Flament, Pascal; Blond, François; Fiani, Emmanuel; Fourmentin, Marc; Delbarre, Hervé

    2012-06-15

    Aerosol sampling was performed inside the chimneys and in the close environment of a FeMn alloys manufacturing plant. The number size distributions show a higher abundance of ultrafine aerosols (10-100 nm) inside the plume than upwind of the plant, indicating the emissions of nanoparticles by the industrial process. Individual analysis of particles collected inside the plume shows a high proportion of metal bearing particles (Mn-/Fe-) consisting essentially of internally mixed aluminosilicate and metallic compounds. These particles evolve rapidly (in a few minutes) after emission by adsorption of VOC gas and sulfuric acid emitted by the plant but also by agglomeration with pre-existing particles. At the moment, municipalities require a monitoring of industrial emissions inside the chimneys from manufacturers. However those measures are insufficient to report such rapid changes in chemical composition and thus to evaluate the real impact of industrial plumes in the close environment of plants (when those particles leave the industrial site). Consequently, environmental authorities will have to consider such fast evolutions and then to adapt future regulations on air pollution sources. Copyright © 2012 Elsevier B.V. All rights reserved.

  1. Temperature-controlled micro-TLC: a versatile green chemistry and fast analytical tool for separation and preliminary screening of steroids fraction from biological and environmental samples.

    PubMed

    Zarzycki, Paweł K; Slączka, Magdalena M; Zarzycka, Magdalena B; Bartoszuk, Małgorzata A; Włodarczyk, Elżbieta; Baran, Michał J

    2011-11-01

    This paper is a continuation of our previous research focusing on development of micro-TLC methodology under temperature-controlled conditions. The main goal of present paper is to demonstrate separation and detection capability of micro-TLC technique involving simple analytical protocols without multi-steps sample pre-purification. One of the advantages of planar chromatography over its column counterpart is that each TLC run can be performed using non-previously used stationary phase. Therefore, it is possible to fractionate or separate complex samples characterized by heavy biological matrix loading. In present studies components of interest, mainly steroids, were isolated from biological samples like fish bile using single pre-treatment steps involving direct organic liquid extraction and/or deproteinization by freeze-drying method. Low-molecular mass compounds with polarity ranging from estetrol to progesterone derived from the environmental samples (lake water, untreated and treated sewage waters) were concentrated using optimized solid-phase extraction (SPE). Specific bands patterns for samples derived from surface water of the Middle Pomerania in northern part of Poland can be easily observed on obtained micro-TLC chromatograms. This approach can be useful as simple and non-expensive complementary method for fast control and screening of treated sewage water discharged by the municipal wastewater treatment plants. Moreover, our experimental results show the potential of micro-TLC as an efficient tool for retention measurements of a wide range of steroids under reversed-phase (RP) chromatographic conditions. These data can be used for further optimalization of SPE or HPLC systems working under RP conditions. Furthermore, we also demonstrated that micro-TLC based analytical approach can be applied as an effective method for the internal standard (IS) substance search. Generally, described methodology can be applied for fast fractionation or screening of the

  2. Low-parachor solvents extraction and thermostated micro-thin-layer chromatography separation for fast screening and classification of spirulina from pharmaceutical formulations and food samples.

    PubMed

    Zarzycki, Paweł K; Zarzycka, Magdalena B; Clifton, Vicki L; Adamski, Jerzy; Głód, Bronisław K

    2011-08-19

    The goal of this paper is to demonstrate the separation and detection capability of eco-friendly micro-TLC technique for the classification of spirulina and selected herbs from pharmaceutical and food products. Target compounds were extracted using relatively low-parachor liquids. A number of the spirulina samples which originated from pharmaceutical formulations and food products, were isolated using a simple one step extraction with small volume of methanol, acetone or tetrahydrofuran. Herb samples rich in chlorophyll dyes were analyzed as reference materials. Quantitative data derived from micro-plates under visible light conditions and after iodine staining were explored using chemometrics tools including cluster analysis and principal components analysis. Using this method we could easily distinguish genuine spirulina and non-spirulina samples as well as fresh from expired commercial products and furthermore, we could identify some biodegradation peaks appearing on micro-TLC profiles. This methodology can be applied as a fast screening or fingerprinting tool for the classification of genuine spirulina and herb samples and in particular may be used commercially for the rapid quality control screening of products. Furthermore, this approach allows low-cost fractionation of target substances including cyanobacteria pigments in raw biological or environmental samples for preliminary chemotaxonomic investigations. Due to the low consumption of the mobile phase (usually less than 1 mL per run), this method can be considered as environmentally friendly analytical tool, which may be an alternative for fingerprinting protocols based on HPLC machines and simple separation systems involving planar micro-fluidic or micro-chip devices.

  3. Development of a fast capillary electrophoresis-time-of-flight mass spectrometry method for the speciation of organotin compounds under separation conditions of high electrical field strengths.

    PubMed

    Malik, Ashok Kumar; Grundmann, Marco; Matysik, Frank-Michael

    2013-11-15

    A novel approach has been developed for the separation of organotin species with capillary electrophoresis hyphenated to time-of-flight mass spectrometry. It has been applied to the development of a method for the determination and speciation of organotin compounds namely, dibutyltin (DBT), tributyltin (TBT), diphenyltin (DPT) and triphenyltin (TPT) in water samples. Experiments were made with a special laboratory constructed CE instrument. A non-aqueous buffer system compatible with TOF-MS has been developed using ammonium acetate-acetic acid (50 mM and 1 M) in acetonitrile: methanol (80:20). The total analysis time is less than 3 min for these compounds under the conditions developed. The method has been applied successfully to the determination of these compounds in river water samples. Detection limits of the CE-TOF-MS method were between 1 and 8×10(-7) M, and between 2 and 11×10(-9) M (0.46 to 3.2 µg L(-1)) when used in conjunction with solid phase extraction. The short analysis time as well as good sensitivity and selectivity make it a useful approach for the fast screening of organotin compounds.

  4. A novelty strategy for the fast analysis of sulfonamide antibiotics in fish tissue using magnetic separation with high-performance liquid chromatography-tandem mass spectrometry.

    PubMed

    Li, Jincheng; Liu, Huan; Zhang, Jing; Liu, Yang; Wu, Lidong

    2016-08-01

    A simple, fast and low-cost extraction method with high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) determination was developed on sulfonamide antibiotics (SAs) in fish tissue. Magnetic separation was first introduced into the rapid sample preparation procedure combined with acetonitrile extraction for the analysis of SAs. Partitioning was rapidly achieved between acetonitrile solution and solid matrix by applying an external magnetic field. Acetonitrile solution was collected and concentrated under a nitrogen stream. The residue was redissolved with 1‰ formic acid aqueous solution and defatted with n-hexane before analysis. The recoveries of SAs were in the range of 74.87-104.74%, with relative standard deviations <13%. The limits of quantification and the limits of detection for SAs ranged from 5.0 to 25.0 μg (kg-1) and from 2.5 to 10.0 μg (kg-1) , respectively. The presented extraction method proved to be a rapid method which only took 20 min for one sample preparation procedure. Copyright © 2016 John Wiley & Sons, Ltd.

  5. A roadmap for the synthesis of separation networks for the recovery of bio-based chemicals: Matching biological and process feasibility.

    PubMed

    Yenkie, Kirti M; Wu, WenZhao; Clark, Ryan L; Pfleger, Brian F; Root, Thatcher W; Maravelias, Christos T

    2016-12-01

    Microbial conversion of renewable feedstocks to high-value chemicals is an attractive alternative to current petrochemical processes because it offers the potential to reduce net CO2 emissions and integrate with bioremediation objectives. Microbes have been genetically engineered to produce a growing number of high-value chemicals in sufficient titer, rate, and yield from renewable feedstocks. However, high-yield bioconversion is only one aspect of an economically viable process. Separation of biologically synthesized chemicals from process streams is a major challenge that can contribute to >70% of the total production costs. Thus, process feasibility is dependent upon the efficient selection of separation technologies. This selection is dependent on upstream processing or biological parameters, such as microbial species, product titer and yield, and localization. Our goal is to present a roadmap for selection of appropriate technologies and generation of separation schemes for efficient recovery of bio-based chemicals by utilizing information from upstream processing, separation science and commercial requirements. To achieve this, we use a separation system comprising of three stages: (I) cell and product isolation, (II) product concentration, and (III) product purification and refinement. In each stage, we review the technology alternatives available for different tasks in terms of separation principles, important operating conditions, performance parameters, advantages and disadvantages. We generate separation schemes based on product localization and its solubility in water, the two most distinguishing properties. Subsequently, we present ideas for simplification of these schemes based on additional properties, such as physical state, density, volatility, and intended use. This simplification selectively narrows down the technology options and can be used for systematic process synthesis and optimal recovery of bio-based chemicals.

  6. Demonstration of fast and accurate discrimination and quantification of chemically similar species utilizing a single cross-selective chemiresistor.

    PubMed

    Vergara, Alexander; Benkstein, Kurt D; Montgomery, Christopher B; Semancik, Steve

    2014-07-15

    Performance characteristics of gas-phase microsensors will determine the ultimate utility of these devices for a wide range of chemical monitoring applications. Commonly employed chemiresistor elements are quite sensitive to selected analytes, and relatively new methods have increased the selectivity to specific compounds, even in the presence of interfering species. Here, we have focused on determining whether purposefully driven temperature modulation can produce faster sensor-response characteristics, which could enable measurements for a broader range of applications involving dynamic compositional analysis. We investigated the response speed of a single chemiresitive In2O3 microhotplate sensor to four analytes (methanol, ethanol, acetone, 2-butanone) by systematically varying the oscillating frequency (semicycle periods of 20-120 ms) of a bilevel temperature cycle applied to the sensing element. It was determined that the fastest response (≈ 9 s), as indicated by a 98% signal-change metric, occurred for a period of 30 ms and that responses under such modulation were dramatically faster than for isothermal operation of the same device (>300 s). Rapid modulation between 150 and 450 °C exerts kinetic control over transient processes, including adsorption, desorption, diffusion, and reaction phenomena, which are important for charge transfer occurring in transduction processes and the observed response times. We also demonstrate that the fastest operation is accompanied by excellent discrimination within a challenging 16-category recognition problem (consisting of the four analytes at four separate concentrations). This critical finding demonstrates that both speed and high discriminatory capabilities can be realized through temperature modulation.

  7. New Automated and High-Throughput Quantitative Analysis of Urinary Ketones by Multifiber Exchange-Solid Phase Microextraction Coupled to Fast Gas Chromatography/Negative Chemical-Electron Ionization/Mass Spectrometry

    PubMed Central

    Pacenti, Marco; Dugheri, Stefano; Traldi, Pietro; Degli Esposti, Filippo; Perchiazzi, Nicola; Franchi, Elena; Calamante, Massimo; Kikic, Ireneo; Alessi, Paolo; Bonacchi, Alice; Salvadori, Edoardo; Arcangeli, Giulio; Cupelli, Vincenzo

    2010-01-01

    The present research is focused on automation, miniaturization, and system interaction with high throughput for multiple and specific Direct Immersion-Solid Phase Microextraction/Fast Gas Chromatography analysis of the urinary ketones. The specific Mass Spectrometry instrumentation, capable of supporting such the automated changeover from Negative Chemical to Electron Ionization mode, as well as the automation of the preparation procedure by new device called MultiFiber Exchange, through change of the fibers, allowed a friendly use of mass spectrometry apparatus with a number of advantages including reduced analyst time and greater reproducibility (2.01–5.32%). The detection limits for the seven ketones were less than 0.004 mg/L. For an innovative powerful meaning in high-throughput routine, the generality of the structurally informative Mass Spectrometry fragmentation patterns together with the chromatographic separation and software automation are also investigated. PMID:20628512

  8. Gas phase chemical detection with an integrated chemical analysis system

    SciTech Connect

    CASALNUOVO,STEPHEN A.; FRYE-MASON,GREGORY CHARLES; KOTTENSTETTE,RICHARD; HELLER,EDWIN J.; MATZKE,CAROLYN M.; LEWIS,PATRICK R.; MANGINELL,RONALD P.; BACA,ALBERT G.; HIETALA,VINCENT M.

    2000-04-12

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample preconcentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described.

  9. Emissions of volatile organic compounds (VOCs) from concentrated animal feeding operations (CAFOs): chemical compositions and separation of sources

    NASA Astrophysics Data System (ADS)

    Yuan, Bin; Coggon, Matthew M.; Koss, Abigail R.; Warneke, Carsten; Eilerman, Scott; Peischl, Jeff; Aikin, Kenneth C.; Ryerson, Thomas B.; de Gouw, Joost A.

    2017-04-01

    Concentrated animal feeding operations (CAFOs) emit a large number of volatile organic compounds (VOCs) to the atmosphere. In this study, we conducted mobile laboratory measurements of VOCs, methane (CH4) and ammonia (NH3) downwind of dairy cattle, beef cattle, sheep and chicken CAFO facilities in northeastern Colorado using a hydronium ion time-of-flight chemical-ionization mass spectrometer (H3O+ ToF-CIMS), which can detect numerous VOCs. Regional measurements of CAFO emissions in northeastern Colorado were also performed using the NOAA WP-3D aircraft during the Shale Oil and Natural Gas Nexus (SONGNEX) campaign. Alcohols and carboxylic acids dominate VOC concentrations and the reactivity of the VOCs with hydroxyl (OH) radicals. Sulfur-containing and phenolic species provide the largest contributions to the odor activity values and the nitrate radical (NO3) reactivity of VOC emissions, respectively. VOC compositions determined from mobile laboratory and aircraft measurements generally agree well with each other. The high time-resolution mobile measurements allow for the separation of the sources of VOCs from different parts of the operations occurring within the facilities. We show that the emissions of ethanol are primarily associated with feed storage and handling. Based on mobile laboratory measurements, we apply a multivariate regression analysis using NH3 and ethanol as tracers to determine the relative importance of animal-related emissions (animal exhalation and waste) and feed-related emissions (feed storage and handling) for different VOC species. Feed storage and handling contribute significantly to emissions of alcohols, carbonyls, carboxylic acids and sulfur-containing species. Emissions of phenolic species and nitrogen-containing species are predominantly associated with animals and their waste.

  10. Graphene-based solid-phase extraction disk for fast separation and preconcentration of trace polycyclic aromatic hydrocarbons from environmental water samples.

    PubMed

    Wang, Zonghua; Han, Qiang; Xia, Jianfei; Xia, Linhua; Ding, Mingyu; Tang, Jie

    2013-06-01

    Graphene has great potentials for the use in sample preparation due to its ultra high specific surface area, superior chemical stability, and excellent thermal stability. In our work, a novel graphene-based SPE disk was developed for separation and preconcentration of trace polycyclic aromatic hydrocarbons from environmental water samples. Based on the strong π-π stacking interaction between the analytes and graphene, the analytes extracted by graphene were eluted by cyclohexane and then determined by GC-MS. Under the optimized conditions, high flow rate (30 mL/min) and sensitivity (0.84-13 ng/L) were achieved. The proposed method was successfully applied to the analysis of real environmental water samples with recoveries ranging from 72.8 to 106.2%. Furthermore, the property of anticlogging and reusability was also improved. This work reveals great potentials of graphene-based SPE disk in environmental analytical. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Demonstration of Fast and Accurate Discrimination and Quantification of Chemically Similar Species Utilizing a Single Cross-Selective Chemiresistor

    PubMed Central

    2015-01-01

    Performance characteristics of gas-phase microsensors will determine the ultimate utility of these devices for a wide range of chemical monitoring applications. Commonly employed chemiresistor elements are quite sensitive to selected analytes, and relatively new methods have increased the selectivity to specific compounds, even in the presence of interfering species. Here, we have focused on determining whether purposefully driven temperature modulation can produce faster sensor-response characteristics, which could enable measurements for a broader range of applications involving dynamic compositional analysis. We investigated the response speed of a single chemiresitive In2O3 microhotplate sensor to four analytes (methanol, ethanol, acetone, 2-butanone) by systematically varying the oscillating frequency (semicycle periods of 20–120 ms) of a bilevel temperature cycle applied to the sensing element. It was determined that the fastest response (≈ 9 s), as indicated by a 98% signal-change metric, occurred for a period of 30 ms and that responses under such modulation were dramatically faster than for isothermal operation of the same device (>300 s). Rapid modulation between 150 and 450 °C exerts kinetic control over transient processes, including adsorption, desorption, diffusion, and reaction phenomena, which are important for charge transfer occurring in transduction processes and the observed response times. We also demonstrate that the fastest operation is accompanied by excellent discrimination within a challenging 16-category recognition problem (consisting of the four analytes at four separate concentrations). This critical finding demonstrates that both speed and high discriminatory capabilities can be realized through temperature modulation. PMID:24931319

  12. Chemically modified polymeric resins for separation of cations, organic acids, and small polar moleculea by high performance liquid chromatography

    SciTech Connect

    Morris, John B.

    1993-07-01

    This thesis is divided into 4 parts: a review, ion chromatography of metal cations on carboxylic resins, separation of hydrophilic organic acids and small polar compounds on macroporous resin columns, and use of eluent modifiers for liquid chromatographic separation of carboxylic acids using conductivity detection.

  13. High-speed gas chromatography with direct resistively-heated column (ultra fast module-GC)-separation measure (S) and other chromatographic parameters under different analysis conditions for samples of different complexities and volatilities.

    PubMed

    Bicchi, C; Brunelli, C; Cordero, C; Rubiolo, P; Galli, M; Sironi, A

    2005-04-15

    The influence of GC speed on the separation capability of a chromatographic system is reported measuring a series of parameters including separation measure (S), peak capacity (n), peak width (w), analysis time, t(b) (determined on the last eluting compound) and separation measure/analysis time ratio (S/t(b)) determined by analyzing a bergamot essential oil sample and a standard mixture of pesticides. Conventional GC, fast GC (with 10 m (FGC10) and 5 m (FGC5) narrow-bore columns), and direct resistively-heated ultra fast module-GC (UFM-GC) were the GC speed approaches used. The influence of different heating rates with a constant flow for FGC5, FGC 10, and UFM-GC and with variable flows for UFM-GC on S, n, w, S/t(b), and t(b) was also studied. The results of this study show that: (a) separation capability of the chromatographic system (i.e. S and n) and analysis time depend on the GC approaches. Within each GC approach, S and n and analysis time depend on the heating rates, although to a different extent, and S and n decrease much less than the gain in analysis time, in particular when fast heating rates are applied; (b) in UFM-GC, the loss of separation capability with heating rate can also be partially compensated by the choice of an appropriate flow rate that, within each heating rate, may contribute to increase S while reducing t(b); (c) within a specific GC approach, the chromatographic system (column and stationary phase) and conditions (heating and flow rates) must be such to achieve a suitable S-value when two analytes must be separated with a given resolution in a minimum analysis time.

  14. Flow processes in overexpanded chemical rocket nozzles. Part 3: Methods for the aimed flow separation and side load reduction

    NASA Technical Reports Server (NTRS)

    Schmucker, R. H.

    1983-01-01

    Methods aimed at reduction of overexpansion and side load resulting from asymmetric flow separation for rocket nozzles with a high opening ratio are described. The methods employ additional measures for nozzles with a fixed opening ratio. The flow separation can be controlled by several types of nozzle inserts, the properties of which are discussed. Side loads and overexpansion can be reduced by adapting the shape of the nozzle and taking other additional measures for controlled separation of the boundary layer, such as trip wires.

  15. Redesigned t-PFF-v device fabricated with one-step anisotropic chemical wet etching process: enhanced separation efficiency for colloidal particles in continuous-mode

    NASA Astrophysics Data System (ADS)

    Nho, Hyun Woo; Park, Joon Shik; Yoon, Tae Hyun

    2017-05-01

    A pinched flow fractionation device with trapezoid-shaped pinched segment and cross-flow side channels (t-PFF-v) was redesigned and fabricated with a one-stop anisotropic chemical wet etching process and its enhanced separation capability was demonstrated for spherical polystyrene (PS) particles with diameter ranges of 2-8 µm. The tilted sidewalls and vertical focusing channels of the t-PFF-v device led to an improved separation resolution (R m,n ) via enhanced separation distance of PS particles at the pinched segment (Δx m,n ) and reduced effluent particle distribution width (s n ). Using this t-PFF-v device with W p (pinched segment width) of 25 µm, PS particles with diameters of 4, 6, and 8 µm were simultaneously separated with good separation resolution (R 4,6  =  3.2 and R 6,8  =  3.4). Moreover, by adapting even smaller pinched segment width (W p  =  15 µm), PS particles with diameters of 2 and 4 µm, not well separated in the previous studies, were clearly separated with 9.5-fold improvement in R 2,4 compared with the normal PFF device (n-PFF). The effects of inlet flow rate ratio (Q 2/Q 1) on the separation efficiency were also carefully investigated and provided additional insight on the separation processes within the pinched segment of t-PFF-v device. The drain flow through the cross-flow v-channels helps better alignment of particles at the sidewall of pinched segment and resulted in significantly reduced distribution of effluent particles, even under the operating conditions with low Q 2/Q 1 values.

  16. Metallography and fuel cladding chemical interaction in fast flux test facility irradiated metallic U-10Zr MFF-3 and MFF-5 fuel pins

    NASA Astrophysics Data System (ADS)

    Carmack, W. J.; Chichester, H. M.; Porter, D. L.; Wootan, D. W.

    2016-05-01

    The Mechanistic Fuel Failure (MFF) series of metal fuel irradiations conducted in the Fast Flux Test Facility (FFTF) provides an important comparison between data generated in the Experimental Breeder Reactor (EBR-II) and that expected in a larger-scale fast reactor. The MFF fuel operated with a peak cladding temperature at the top of the fuel column, but developed peak burnup at the centerline of the core. This places the peak fuel temperature midway between the core center and the top of fuel, lower in the fuel column than in EBR-II experiments. Data from the MFF-3 and MFF-5 assemblies are most comparable to the data obtained from the EBR-II X447 experiment. The two X447 pin breaches were strongly influenced by fuel/cladding chemical interaction (FCCI) at the top of the fuel column. Post irradiation examination data from MFF-3 and MFF-5 are presented and compared to historical EBR-II data.

  17. Nanoscale chemical phase separation in FeTe0.55Se0.45 as seen via scanning tunneling spectroscopy

    SciTech Connect

    He, Xiaobo; Li, Guorong; Zhang, Jiandi; Karki, A B; Jin, Rongying; Sales, Brian C; Safa-Sefat, Athena; McGuire, Michael A; Mandrus, David; Plummer, E. W.

    2011-01-01

    Atomically resolved structural and electronic properties of FeTe{sub 1-x}Se{sub x} (x = 0 and 0.45) have been studied with scanning tunneling microscopy/spectroscopy (STM/STS). In contrast to the extreme flatness of the Te-terminated FeTe surface, nanoscale chemical phase separation between Te and Se atoms is unambiguously revealed on the surface of FeTe{sub 0.55}Se{sub 0.45}. A statistical counting of the two kinds of atoms has the same ratio as that in the bulk. Remarkably, there is no electronic phase separation seen in the tunneling spectroscopy. This indicates that the optimally doped superconductor is chemically inhomogeneous but electronically homogeneous, in contrast to many correlated electron materials.

  18. CHARACTERISTICS OF A FAST RISE TIME POWER SUPPLY FOR A PULSED PLASMA REACTOR FOR CHEMICAL VAPOR DESTRUCTION

    EPA Science Inventory

    Rotating spark gap devices for switching high-voltage direct current (dc) into a corona plasma reactor can achieve pulse rise times in the range of tens of nanoseconds. The fast rise times lead to vigorous plasma generation without sparking at instantaneous applied voltages highe...

  19. CHARACTERISTICS OF A FAST RISE TIME POWER SUPPLY FOR A PULSED PLASMA REACTOR FOR CHEMICAL VAPOR DESTRUCTION

    EPA Science Inventory

    Rotating spark gap devices for switching high-voltage direct current (dc) into a corona plasma reactor can achieve pulse rise times in the range of tens of nanoseconds. The fast rise times lead to vigorous plasma generation without sparking at instantaneous applied voltages highe...

  20. Separating Chemical and Excluded Volume Interactions of Polyethylene Glycols with Native Proteins: Comparison with PEG Effects on DNA Helix Formation

    PubMed Central

    Shkel, Irina A.; Knowles, Ben; Record, M. Thomas

    2015-01-01

    Small and large PEGs greatly increase chemical potentials of globular proteins (μ2), thereby favoring precipitation, crystallization, and protein-protein interactions that reduce water-accessible protein surface and/or protein-PEG excluded volume. To determine individual contributions of PEG-protein chemical and excluded volume interactions to μ2 as functions of PEG molality m3, we analyze published chemical potential increments μ23 = dμ2/dm3 quantifying unfavorable interactions of PEG (PEG200-PEG6000) with BSA and lysozyme. For both proteins, μ23 increases approximately linearly with the number of PEG residues (N3). A 1 molal increase in concentration of PEG -CH2OCH2- groups, for any chain-length PEG, increases μBSA by ~2.7 kcal/mol and μlysozyme by ~1.0 kcal/mol. These values are similar to predicted chemical interactions of PEG -CH2OCH2- groups with these protein components (BSA ~3.3 kcal/mol, lysozyme ~0.7 kcal/mol), dominated by unfavorable interactions with amide and carboxylate oxygens and counterions. While these chemical effects should be dominant for small PEGs, larger PEGS are expected to exhibit unfavorable excluded volume interactions and reduced chemical interactions because of shielding of PEG residues in PEG flexible coils. We deduce that these excluded volume and chemical shielding contributions largely compensate, explaining why the dependence of μ23 on N3 is similar for both small and large PEGs. PMID:25924886

  1. Determining hydrogen-bond interactions in spider silk with 1H-13C HETCOR fast MAS solid-state NMR and DFT proton chemical shift calculations.

    PubMed

    Holland, Gregory P; Mou, Qiushi; Yarger, Jeffery L

    2013-07-28

    Two-dimensional (2D) (1)H-(13)C heteronuclear correlation (HETCOR) solid-state NMR spectra collected with fast magic angle spinning (MAS) are used in conjunction with density functional theory (DFT) proton chemical shift calculations to determine the hydrogen-bonding strength for ordered β-sheet and disordered 310-helical structures in spider dragline silk. The hydrogen-bond strength is determined to be identical for both structures in spider silk with a 1.83-1.84 Å NH···OC hydrogen-bond distance.

  2. Battery separators.

    PubMed

    Arora, Pankaj; Zhang, Zhengming John

    2004-10-01

    The ideal battery separator would be infinitesimally thin, offer no resistance to ionic transport in electrolytes, provide infinite resistance to electronic conductivity for isolation of electrodes, be highly tortuous to prevent dendritic growths, and be inert to chemical reactions. Unfortunately, in the real world the ideal case does not exist. Real world separators are electronically insulating membranes whose ionic resistivity is brought to the desired range by manipulating the membranes thickness and porosity. It is clear that no single separator satisfies all the needs of battery designers, and compromises have to be made. It is ultimately the application that decides which separator is most suitable. We hope that this paper will be a useful tool and will help the battery manufacturers in selecting the most appropriate separators for their batteries and respective applications. The information provided is purely technical and does not include other very important parameters, such as cost of production, availability, and long-term stability. There has been a continued demand for thinner battery separators to increase battery power and capacity. This has been especially true for lithiumion batteries used in portable electronics. However, it is very important to ensure the continued safety of batteries, and this is where the role of the separator is greatest. Thus, it is essential to optimize all the components of battery to improve the performance while maintaining the safety of these cells. Separator manufacturers should work along with the battery manufacturers to create the next generation of batteries with increased reliability and performance, but always keeping safety in mind. This paper has attempted to present a comprehensive review of literature on separators used in various batteries. It is evident that a wide variety of separators are available and that they are critical components in batteries. In many cases, the separator is one of the major factors

  3. Topographical and Chemical Imaging of a Phase Separated Polymer Using a Combined Atomic Force Microscopy/Infrared Spectroscopy/Mass Spectrometry Platform.

    PubMed

    Tai, Tamin; Karácsony, Orsolya; Bocharova, Vera; Van Berkel, Gary J; Kertesz, Vilmos

    2016-03-01

    In this paper, the use of a hybrid atomic force microscopy/infrared spectroscopy/mass spectrometry imaging platform was demonstrated for the acquisition and correlation of nanoscale sample surface topography and chemical images based on infrared spectroscopy and mass spectrometry. The infrared chemical imaging component of the system utilized photothermal expansion of the sample at the tip of the atomic force microscopy probe recorded at infrared wave numbers specific to the different surface constituents. The mass spectrometry-based chemical imaging component of the system utilized nanothermal analysis probes for thermolytic surface sampling followed by atmospheric pressure chemical ionization of the gas phase species produced with subsequent mass analysis. The basic instrumental setup, operation, and image correlation procedures are discussed, and the multimodal imaging capability and utility are demonstrated using a phase separated poly(2-vinylpyridine)/poly(methyl methacrylate) polymer thin film. The topography and both the infrared and mass spectral chemical images showed that the valley regions of the thin film surface were comprised primarily of poly(2-vinylpyridine) and hill or plateau regions were primarily poly(methyl methacrylate). The spatial resolution of the mass spectral chemical images was estimated to be 1.6 μm based on the ability to distinguish surface features in those images that were also observed in the topography and infrared images of the same surface.

  4. Detection of chemical substances in water using an oxide nanowire transistor covered with a hydrophobic nanoparticle thin film as a liquid-vapour separation filter

    NASA Astrophysics Data System (ADS)

    Lim, Taekyung; Lee, Jonghun; Ju, Sanghyun

    2016-08-01

    We have developed a method to detect the presence of small amounts of chemical substances in water, using a Al2O3 nanoparticle thin film covered with phosphonic acid (HDF-PA) self-assembled monolayer. The HDF-PA self-assembled Al2O3 nanoparticle thin film acts as a liquid-vapour separation filter, allowing the passage of chemical vapour while blocking liquids. Prevention of the liquid from contacting the SnO2 nanowire and source-drain electrodes is required in order to avoid abnormal operation. Using this characteristic, the concentration of chemical substances in water could be evaluated by measuring the current changes in the SnO2 nanowire transistor covered with the HDF-PA self-assembled Al2O3 nanoparticle thin film.

  5. Chemically modified polymeric resins for solid-phase extraction and group separation prior to analysis by liquid or gas chromatography

    SciTech Connect

    Schmidt, L.W.

    1993-07-01

    Polystyrene divinylbenzene was modified by acetyl, sulfonic acid, and quaternary ammonium groups. A resin functionalized with an acetyl group was impregnated in a PTFE membrane and used to extract and concentrate phenolic compounds from aqueous samples. The acetyl group created a surface easily wetted, making it an efficient adsorbent for polar compounds in water. The membrane stabilized the resin bed. Partially sulfonated high surface area resins are used to extract and group separate an aqueous mixture of neutral and basic organics; the bases are adsorbed electrostatically to the sulfonic acid groups, while the neutraons are adsorbed hydrophobically. A two-step elution is then used to separate the two fractions. A partially functionalized anion exchange resin is used to separate organic acids and phenols from neutrals in a similar way. Carboxylic acids are analyzed by HPLC and phenols by GC.

  6. Separating chemical and excluded volume interactions of polyethylene glycols with native proteins: Comparison with PEG effects on DNA helix formation.

    PubMed

    Shkel, Irina A; Knowles, D B; Record, M Thomas

    2015-09-01

    Small and large PEGs greatly increase chemical potentials of globular proteins (μ2), thereby favoring precipitation, crystallization, and protein-protein interactions that reduce water-accessible protein surface and/or protein-PEG excluded volume. To determine individual contributions of PEG-protein chemical and excluded volume interactions to μ2 as functions of PEG molality m3 , we analyze published chemical potential increments μ23  = dμ2/dm3 quantifying unfavorable interactions of PEG (PEG200-PEG6000) with BSA and lysozyme. For both proteins, μ23 increases approximately linearly with the number of PEG residues (N3). A 1 molal increase in concentration of PEG -CH2 OCH2 - groups, for any chain-length PEG, increases μBSA by ∼2.7 kcal/mol and μlysozyme by ∼1.0 kcal/mol. These values are similar to predicted chemical interactions of PEG -CH2 OCH2 - groups with these protein components (BSA ∼3.3 kcal/mol, lysozyme ∼0.7 kcal/mol), dominated by unfavorable interactions with amide and carboxylate oxygens and counterions. While these chemical effects should be dominant for small PEGs, larger PEGS are expected to exhibit unfavorable excluded volume interactions and reduced chemical interactions because of shielding of PEG residues in PEG flexible coils. We deduce that these excluded volume and chemical shielding contributions largely compensate, explaining why the dependence of μ23 on N3 is similar for both small and large PEGs. © 2015 Wiley Periodicals, Inc.

  7. The selective conversion of glutamic acid in amino acid mixtures using glutamate decarboxylase--a means of separating amino acids for synthesizing biobased chemicals.

    PubMed

    Teng, Yinglai; Scott, Elinor L; Sanders, Johan P M

    2014-01-01

    Amino acids (AAs) derived from hydrolysis of protein rest streams are interesting feedstocks for the chemical industry due to their functionality. However, separation of AAs is required before they can be used for further applications. Electrodialysis may be applied to separate AAs, but its efficiency is limited when separating AAs with similar isoelectric points. To aid the separation, specific conversion of an AA to a useful product with different charge behavior to the remaining compounds is desired. Here the separation of L-aspartic acid (Asp) and L-glutamic acid (Glu) was studied. L-Glutamate α-decarboxylase (GAD, Type I, EC 4.1.1.15) was applied to specifically convert Glu into γ-aminobutyric acid (GABA). GABA has a different charge behavior from Asp therefore allowing a potential separation by electrodialysis. Competitive inhibition and reduced operational stability caused by Asp could be eliminated by maintaining a sufficiently high concentration of Glu. Immobilization of GAD does not reduce the enzyme's initial activity. However, the operational stability was slightly reduced. An initial study on the reaction operating in a continuous mode was performed using a column reactor packed with immobilized GAD. As the reaction mixture was only passed once through the reactor, the conversion of Glu was lower than expected. To complete the conversion of Glu, the stream containing Asp and unreacted Glu might be recirculated back to the reactor after GABA has been removed. Overall, the reaction by GAD is specific to Glu and can be applied to aid the electrodialysis separation of Asp and Glu.

  8. Stereoisomers Separation

    NASA Astrophysics Data System (ADS)

    Wieczorek, Piotr

    The use of capillary electrophoresis for enantiomer separation and optical purity determination is presented. The contents start with basic information about the nature of stereoizomers and the mechanism of enantioseparation using capillary electrophoresis techniques. The molecules to be separated show identical chemical structure and electrochemical behavior. Therefore, the chiral recognition of enantiomers is possible only by bonding to chiral selector and the separation based on very small differences in complexation energies of diastereomer complexes formed. This method is useful for this purpose due to the fact that different compounds can be used as chiral selectors. The mostly used chiral selectors like cyclodextrins, crown ethers, chiral surfactants, macrocyclic antibiotics, transition metal complexes, natural, and synthetic polymers and their application for this purpose is also discussed. Finally, examples of practical applications of electromigration techniques for enantiomers separation and determination are presented.

  9. Fast separation of (poly)phenolic compounds from apples and pears by high-performance liquid chromatography with diode-array detection.

    PubMed

    Escarpa, A; González, M C

    1999-01-15

    Polyphenolic compounds in apples and pears were analysed by HPLC on C18-modified silica. Gradient elution with phosphoric acid-methanol mixtures and phosphoric acid-acetonitrile mixtures gave complete separation of all polyphenolics of interest. The use of methanol as modifier was preferred because it provides a more rapid separation (20 min). Diode-array detection was used for the provisional identification of polyphenolic compounds not available as standards.

  10. Fast comprehensive two-dimensional gas chromatography method for fatty acid methyl ester separation and quantification using dual ionic liquid columns.

    PubMed

    Nosheen, Asia; Mitrevski, Blagoj; Bano, Asghari; Marriott, Philip J

    2013-10-18

    Safflower oil is a complex mixture of C18 saturated and unsaturated fatty acids amongst other fatty acids, and achieving separation between these similar structure components using one dimensional gas chromatography (GC) may be difficult. This investigation aims to obtain improved separation of fatty acid methyl esters in safflower oil, and their quantification using comprehensive two-dimensional GC (GC×GC). Here, GC×GC separation is accomplished by the coupling of two ionic liquid (IL) column phases: the combination of SLB-IL111 with IL59 column phases was finally selected since it provided excellent separation of a FAME standard mixture, as well as fatty acids in safflower and linseed oil, compared to other tested column sets. Safflower oil FAME were well separated in a short run of 16min. FAME validation was demonstrated by method reproducibility, linearity over a range up to 500mgL(-1), and limits of detection which ranged from 1.9mgL(-1) to 5.2mgL(-1) at a split ratio of 20:1. Quantification was carried out using two dilution levels of 200-fold for major components and 20-fold for trace components. The fatty acids C15:0 and C17:0 were not reported previously in safflower oil. The SLB-IL111/IL59 column set proved to be an effective and novel configuration for separation and quantification of vegetable and animal oil fatty acids.

  11. Very high pressure liquid chromatography using core-shell particles: quantitative analysis of fast gradient separations without post-run times.

    PubMed

    Stankovich, Joseph J; Gritti, Fabrice; Stevenson, Paul G; Beaver, Lois A; Guiochon, Georges

    2014-01-17

    Five methods for controlling the mobile phase flow rate for gradient elution analyses using very high pressure liquid chromatography (VHPLC) were tested to determine thermal stability of the column during rapid gradient separations. To obtain rapid separations, instruments are operated at high flow rates and high inlet pressure leading to uneven thermal effects across columns and additional time needed to restore thermal equilibrium between successive analyses. The purpose of this study is to investigate means to minimize thermal instability and obtain reliable results by measuring the reproducibility of the results of six replicate gradient separations of a nine component RPLC standard mixture under various experimental conditions with no post-run times. Gradient separations under different conditions were performed: constant flow rates, two sets of constant pressure operation, programmed flow constant pressure operation, and conditions which theoretically should yield a constant net heat loss at the column's wall. The results show that using constant flow rates, programmed flow constant pressures, and constant heat loss at the column's wall all provide reproducible separations. However, performing separations using a high constant pressure with programmed flow reduces the analysis time by 16% compared to constant flow rate methods. For the constant flow rate, programmed flow constant pressure, and constant wall heat experiments no equilibration time (post-run time) was required to obtain highly reproducible data.

  12. Biodegradation testing of chemicals with high Henry's constants - Separating mass and effective concentration reveals higher rate constants.

    PubMed

    Birch, Heidi; Andersen, Henrik R; Comber, Mike; Mayer, Philipp

    2017-05-01

    During simulation-type biodegradation tests, volatile chemicals will continuously partition between water phase and headspace. This study addressed how (1) this partitioning affects test results and (2) can be accounted for by combining equilibrium partition and dynamic biodegradation models. An aqueous mixture of 9 (semi)volatile chemicals was first generated using passive dosing and then diluted with environmental surface water producing concentrations in the ng/L to μg/L range. After incubation for 2 h to 4 weeks, automated Headspace Solid Phase Microextraction (HS-SPME) was applied directly on the test systems to measure substrate depletion by biodegradation relatively to abiotic controls. HS-SPME was also applied to determine air to water partitioning ratios. Biodegradation rate constants relating to the chemical in the water phase, kwater, were generally a factor 1 to 11 times higher than biodegradation rate constants relating to the total mass of chemical in the test system, ksystem, with one exceptional factor of 72 times for a long chain alkane. True water phase degradation rate constants were found (i) more appropriate for risk assessment than test system rate constants, (ii) to facilitate extrapolation to other air-water systems and (iii) to be better defined input parameters for aquatic exposure and fate models.

  13. Fast variance reduction for steady-state simulation and sensitivity analysis of stochastic chemical systems using shadow function estimators

    NASA Astrophysics Data System (ADS)

    Milias-Argeitis, Andreas; Lygeros, John; Khammash, Mustafa

    2014-07-01

    We address the problem of estimating steady-state quantities associated to systems of stochastic chemical kinetics. In most cases of interest, these systems are analytically intractable, and one has to resort to computational methods to estimate stationary values of cost functions. In this work, we introduce a novel variance reduction algorithm for stochastic chemical kinetics, inspired by related methods in queueing theory, in particular the use of shadow functions. Using two numerical examples, we demonstrate the efficiency of the method for the calculation of steady-state parametric sensitivities and evaluate its performance in comparison to other estimation methods.

  14. Discrimination and chemical characterization of different Paeonia lactifloras (Radix Paeoniae Alba and Radix Paeoniae Rubra) by infrared macro-fingerprint analysis-through-separation

    NASA Astrophysics Data System (ADS)

    Wang, Yang; Wang, Ping; Xu, Changhua; Sun, Suqin; Zhou, Qun; Shi, Zhe; Li, Jin; Chen, Tao; Li, Zheng; Cui, Weili

    2015-11-01

    Paeonia lactiflora, a commonly used herbal medicine (HM) in Traditional Chinese Medicine (TCM), mainly has two species, Radix Paeoniae Alba (RPA) and Radix Paeoniae Rubra (RPR), for different clinical applications in TCM. For expounding the chemical profile of RPA and RPR and ensuring the clinical efficacy and safety, an infrared macro-fingerprint analysis-through-separation method integrated with statistical pattern recognition was developed to analyze and discriminate the two Paeonia lactifloras. In IR spectra, the major difference between the two was in the range of 1200-900 cm-1: the strongest peak of RPA was at 1024 cm-1, while that of RPR was 1049 cm-1. The difference was magnified in second derivative spectra. The findings were further verified by investigating the separation process of total glucosides, stepwisely monitored by both of IR and UPLC-MS/MS. Simultaneously, the aqueous extracts of RPA and RPR had been separated continuously to acquire the comprehensively hierarchical chemical characteristics for undoubtedly identification and subsequently discrimination of the two herbs. Moreover, 60 batches of the two HMs (30 for each) were objectively classified by principal component regression (PCR) model based on IR macro-fingerprints.

  15. A review of the chemical and physical mechanisms of the storage stability of fast pyrolysis bio-oils

    SciTech Connect

    Diebold, J.P.

    1999-01-27

    Understanding the fundamental chemical and physical aging mechanisms is necessary to learn how to produce a bio-oil that is more stable during shipping and storage. This review provides a basis for this understanding and identifies possible future research paths to produce bio-oils with better storage stability.

  16. Gas Phase Chemical Detection with an Integrated Chemical Analysis System

    SciTech Connect

    Baca, Albert G.; Casalnuovo, Stephen A.; Frye-Mason, Gregory C.; Heller, Edwin J.; Hietala, Susan L.; Hietala, Vincent M.; Kottenstette, Richard J.; Lewis, Patrick R.; Manginell, Ronald P.; Matzke, Carloyn M.; Reno, John L.; Sasaki, Darryl Y.; Schubert, W. Kent

    1999-07-08

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample concentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described. The design and performance of novel micromachined acoustic wave devices, with the potential for improved chemical sensitivity, are also described.

  17. Janus Graphene Oxide Sponges for High-Purity Fast Separation of Both Water-in-Oil and Oil-in-Water Emulsions.

    PubMed

    Yun, Jongju; Khan, Fakhre Alam; Baik, Seunghyun

    2017-05-17

    Membrane separation of oil and water with high purity and high permeability is of great interest in environmental and industrial processes. However, membranes with fixed wettability can separate only one type of surfactant-stabilized emulsion (water-in-oil or oil-in-water). Here, we report on Janus graphene oxide (J-GO) sponges for high purity and high permeability separation of both water-in-oil and oil-in-water emulsions. Millimeter-scale reduced GO sponges with a controlled pore size (11.2 or 94.1 μm) are synthesized by freeze drying, and the wettability is further controlled by fluorine (hydrophobic/oleophilic in air) or oxygen (hydrophilic/oleophilic in air) functionalization. J-GO sponges are prepared by the fluorine functionalization on one side and oxygen functionalization on the other side. Interestingly, the oil wettability of oxygen-functionalized surface turns into an oleophobic surface when immersed in water, which is explained by Young's theory. This effect is further used in the separation of both water-in-oil and oil-in-water emulsions by changing the flow direction. The purity of the separated oil and water is very high (≥99.2%), and the permeability is more than an order of magnitude greater than those of the other Janus membranes reported. J-GO sponges can be reused with an excellent repeatability, demonstrating feasibility in practical applications.

  18. Isotopic separation

    SciTech Connect

    Chen, C.

    1981-03-10

    Method and apparatus for separating isotopes in an isotopic mixture of atoms or molecules by increasing the mass differential among isotopic species. The mixture containing a particular isotope is selectively irradiated so as to selectively excite the isotope. This preferentially excited species is then reacted rapidly with an additional preselected radiation, an electron or another chemical species so as to form a product containing the specific isotope, but having a mass different than the original species initially containing the particular isotope. The product and the remaining balance of the mixture is then caused to flow through a device which separates the product from the mixture based upon the increased mass differential.

  19. Fast, sensitive, and selective gas chromatography tandem mass spectrometry method for the target analysis of chemical secretions from femoral glands in lizards.

    PubMed

    Sáiz, Jorge; García-Roa, Roberto; Martín, José; Gómara, Belén

    2017-09-08

    Chemical signaling is a widespread mode of communication among living organisms that is used to establish social organization, territoriality and/or for mate choice. In lizards, femoral and precloacal glands are important sources of chemical signals. These glands protrude chemical secretions used to mark territories and also, to provide valuable information from the bearer to other individuals. Ecologists have studied these chemical secretions for decades in order to increase the knowledge of chemical communication in lizards. Although several studies have focused on the chemical analysis of these secretions, there is a lack of faster, more sensitive and more selective analytical methodologies for their study. In this work a new GC coupled to tandem triple quadrupole MS (GC-QqQ (MS/MS)) methodology is developed and proposed for the target study of 12 relevant compounds often found in lizard secretions (i.e. 1-hexadecanol, palmitic acid, 1-octadecanol, oleic acid, stearic acid, 1-tetracosanol, squalene, cholesta-3,5-diene, α-tocopherol, cholesterol, ergosterol and campesterol). The method baseline-separated the analytes in less than 7min, with instrumental limits of detection ranging from 0.04 to 6.0ng/mL. It was possible to identify differences in the composition of the samples from the lizards analyzed, which depended on the species, the habitat occupied and the diet of the individuals. Moreover, α-tocopherol has been determined for the first time in a lizard species, which was thought to lack its expression in chemical secretions. Globally, the methodology has been proven to be a valuable alternative to other published methods with important improvements in terms of analysis time, sensitivity, and selectivity. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Predicting paramagnetic 1H NMR chemical shifts and state-energy separations in spin-crossover host-guest systems.

    PubMed

    Isley, William C; Zarra, Salvatore; Carlson, Rebecca K; Bilbeisi, Rana A; Ronson, Tanya K; Nitschke, Jonathan R; Gagliardi, Laura; Cramer, Christopher J

    2014-06-14

    The behaviour of metal-organic cages upon guest encapsulation can be difficult to elucidate in solution. Paramagnetic metal centres introduce additional dispersion of signals that is useful for characterisation of host-guest complexes in solution using nuclear magnetic resonance (NMR). However, paramagnetic centres also complicate spectral assignment due to line broadening, signal integration error, and large changes in chemical shifts, which can be difficult to assign even for known compounds. Quantum chemical predictions can provide information that greatly facilitates the assignment of NMR signals and identification of species present. Here we explore how the prediction of paramagnetic NMR spectra may be used to gain insight into the spin crossover (SCO) properties of iron(II)-based metal organic coordination cages, specifically examining how the structure of the local metal coordination environment affects SCO. To represent the tetrahedral metal-organic cage, a model system is generated by considering an isolated metal-ion vertex: fac-ML3(2+) (M = Fe(II), Co(II); L = N-phenyl-2-pyridinaldimine). The sensitivity of the (1)H paramagnetic chemical shifts to local coordination environments is assessed and utilised to shed light on spin crossover behaviour in iron complexes. Our data indicate that expansion of the metal coordination sphere must precede any thermal SCO. An attempt to correlate experimental enthalpies of SCO with static properties of bound guests shows that no simple relationship exists, and that effects are likely due to nuanced dynamic response to encapsulation.

  1. Initiated Chemical Vapor Deposition (iCVD) of Highly Cross-Linked Polymer Films for Advanced Lithium-Ion Battery Separators.

    PubMed

    Yoo, Youngmin; Kim, Byung Gon; Pak, Kwanyong; Han, Sung Jae; Song, Heon-Sik; Choi, Jang Wook; Im, Sung Gap

    2015-08-26

    We report an initiated chemical vapor deposition (iCVD) process to coat polyethylene (PE) separators in Li-ion batteries with a highly cross-linked, mechanically strong polymer, namely, polyhexavinyldisiloxane (pHVDS). The highly cross-linked but ultrathin pHVDS films can only be obtained by a vapor-phase process, because the pHVDS is insoluble in most solvents and thus infeasible with conventional solution-based methods. Moreover, even after the pHVDS coating, the initial porous structure of the separator is well preserved owing to the conformal vapor-phase deposition. The coating thickness is delicately controlled by deposition time to the level that the pore size decreases to below 7% compared to the original dimension. The pHVDS-coated PE shows substantially improved thermal stability and electrolyte wettability. After incubation at 140 °C for 30 min, the pHVDS-coated PE causes only a 12% areal shrinkage (versus 90% of the pristine separator). The superior wettability results in increased electrolyte uptake and ionic conductivity, leading to significantly improved rate performance. The current approach is applicable to a wide range of porous polymeric separators that suffer from thermal shrinkage and poor electrolyte wetting.

  2. Controlling Solution Self-assembly and Non-Solvent Induced Microphase Separation of Triblock Terpolymers to Generate Nanofiltration Membranes with Chemically-Tailored Pore Walls

    NASA Astrophysics Data System (ADS)

    Boudouris, Bryan; Mulvenna, Ryan; Weidman, Jacob; Phillip, William

    2014-03-01

    Block polymer-based templates have been utilized in a number of membrane applications; however, there has yet to be a demonstration of a nanoporous block polymer thin film that can achieve high flux and high selectivity simultaneously while also allowing for the facile tuning of the pore wall chemistry. Here, we demonstrate that by synthesizing and controlling the solution self-assembly of a triblock terpolymer, polyisoprene- b-polystyrene- b-poly(N, N-dimethylacrylamide) (PI-PS-PDMA), and precisely inducing non-solvent induced phase separation during the self-assembly process allows for the creation of an asymmetric nanoporous membrane with PDMA-lined pore walls. This PDMA functionality is then converted to any number of side chain functionalities through simple chemistry in the solid state. In this way, we are able to show a highly selectivity membrane that can separate analytes of interest based both on size and chemical composition at a high solution flux. In fact, this high fidelity structure has a very narrow distribution of pore sizes (<10% variation in diameter) over large areas (>500 cm2) . This has allowed for the separation of particles with hydrodynamic radii as low as 0.8 nm, which is the smallest separation achieved using a block polymer-based membrane to date.

  3. Characterization of Cerro Negro crude. Part I. Physical and chemical separations. [Project shared by Bartlesville Energy Technology Center, US DOE, and Institute de Tecnologico del Venezolana Petroleo

    SciTech Connect

    Grizzle, P.L.; Green, J.B.; Sanchez, V.; Murgia, E.; Lubkowitz, J.

    1981-09-01

    The scheme couples distillation and ion exchange and solid liquid chromatography in an attempt to prepare narrow-boiling, chemically unique fractions, which can be analyzed further or can supply data for process development. For evaluation of the separation approach, a Cerro Negro crude from the Venezuelan Orinoco basin has been studied in a cooperative program between the United States Department of Energy and the Institute de Tecnologico del Venezolana Petroleo. These fractions may be analyzed by ir, uv, fluorescence, and nuclear magnetic resonance spectroscopy, as well as various mass spectroscopy methods. The approach appears to be promising. 5 figures, 6 tables.

  4. In-line respeciation: an ion-exchange ion chromatographic method applied to the separation of degradation products of chemical warfare nerve agents in soil.

    PubMed

    Vermillion, W D; Crenshaw, M D

    1997-05-16

    The natural background of anions encountered when analyzing soil samples by ion chromatography (IC) present significant problems in the separation, detection and quantification of isopropyl methylphosphonic acid (IMPA) and methylphosphonic acid (MPA), the degradation products of sarin, a chemical warfare nerve agent. Using chemically-suppressed IC with conductivity detection, a commercially available ion-exchange column, and an isocratic binary eluent system, IMPA and MPA were determined in aqueous extracts of soil at sub-ppm (microgram/g) concentrations without the need for gradient elution or organic solvent eluent modifiers. Common soil anions such as chloride, nitrate, sulfate and phosphate do not interfere with the analysis method due to the composition of the binary eluent allowing for greater mobilization of multivalent anions (e.g., MPA, carbonate, and sulfate) while monovalent anions (e.g., IMPA and nitrate) are relatively unaffected. Carbonate is selectively removed by in-line respeciation to bicarbonate.

  5. Microscopic origin of the fast blue-green luminescence of chemically synthesized non-oxidized silicon quantum dots.

    PubMed

    Dohnalová, Kateřina; Fučíková, Anna; Umesh, Chinnaswamy P; Humpolíčková, Jana; Paulusse, Jos M J; Valenta, Jan; Zuilhof, Han; Hof, Martin; Gregorkiewicz, Tom

    2012-10-22

    The microscopic origin of the bright nanosecond blue-green photoluminescence (PL), frequently reported for synthesized organically terminated Si quantum dots (Si-QDs), has not been fully resolved, hampering potential applications of this interesting material. Here a comprehensive study of the PL from alkyl-terminated Si-QDs of 2-3 nm size, prepared by wet chemical synthesis is reported. Results obtained on the ensemble and those from the single nano-object level are compared, and they provide conclusive evidence that efficient and tunable emission arises due to radiative recombination of electron-hole pairs confined in the Si-QDs. This understanding paves the way towards applications of chemical synthesis for the development of Si-QDs with tunable sizes and bandgaps. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Apportionment of motor vehicle emissions from fast changes in number concentration and chemical composition of ultrafine particles near a roadway intersection.

    PubMed

    Klems, Joseph P; Pennington, M Ross; Zordan, Christopher A; McFadden, Lauren; Johnston, Murray V

    2011-07-01

    High frequency spikes in ultrafine number concentration near a roadway intersection arise from motor vehicles that accelerate after a red light turns green. The present work describes a method to determine the contribution of motor vehicles to the total ambient ultrafine particle mass by correlating these number concentration spikes with fast changes in ultrafine particle chemical composition measured with the nano aerosol mass spectrometer, NAMS. Measurements were performed at an urban air quality monitoring site in Wilmington, Delaware during the summer and winter of 2009. Motor vehicles were found to contribute 48% of the ultrafine particle mass in the winter measurement period, but only 16% of the ultrafine particle mass in the summer period. Chemical composition profiles and contributions to the ultrafine particle mass of spark vs diesel vehicles were estimated by correlating still camera images, chemical composition and spike contribution at each time interval.. The spark and diesel contributions were roughly equal, but the uncertainty in the split was large. The distribution of emissions from individual vehicles was determined by correlating camera images with the spike contribution to particle number concentration at each time interval. A small percentage of motor vehicles were found to emit a disproportionally large concentration of ultrafine particles, and these high emitters included both spark ignition and diesel vehicles.

  7. Highly Repeatable and Recoverable Phototransistors Based on Multifunctional Channels of Photoactive CdS, Fast Charge Transporting ZnO, and Chemically Durable Al2O3 Layers.

    PubMed

    Ahn, Cheol Hyoun; Kang, Won Jun; Kim, Ye Kyun; Yun, Myeong Gu; Cho, Hyung Koun

    2016-06-22

    Highly repeatable and recoverable phototransistors were explored using a "multifunctional channels" structure with multistacked chalcogenide and oxide semiconductors. These devices were made of (i) photoactive CdS (with a visible band gap), (ii) fast charge transporting ZnO (with a high field-effect mobility), and (iii) a protection layer of Al2O3 (with high chemical durability). The CdS TFT without the Al2O3 protection layer did not show a transfer curve due to the chemical damage that occurred on the ZnO layer during the chemical bath deposition (CBD) process used for CdS deposition. Alternatively, compared to CdS phototransistors with long recovery time and high hysteresis (ΔVth = 19.5 V), our "multi-functional channels" phototransistors showed an extremely low hysteresis loop (ΔVth = 0.5V) and superior photosensitivity with repeatable high photoresponsivity (52.9 A/W at 400 nm). These improvements are likely caused by the physical isolation of the sensing region and charge transport region by the insertion of the ultrathin Al2O3 layer. This approach successfully addresses some of the existing problems in CdS phototransistors, such as the high gate-interface trap site density and high absorption of molecular oxygen, which originate from the polycrystalline CdS.

  8. Sodium desoxycholate-assisted capillary electrochromatography with methacrylate ester-based monolithic column on fast separation and determination of coumarin analogs in Angelica dahurica extract.

    PubMed

    Chen, Zhao; Wang, Jiajing; Chen, Danxia; Fan, Guorong; Wu, Yutian

    2012-09-01

    A rapid and sensitive CEC method with methacrylate ester-based monolithic column has been developed for separation and determination of five coumarins (byakangelicin, oxypeucedanin hydrate, xanthotoxol, 5-hydroxy-8-methoxypsoralen and bergapten) in Angelica dahurica extract. Surfactant sodium desoxycholate (SDC) was introduced into the mobile phase as the pseudostationary to dynamically increase the selectivity of analytes instead of increasing the hydrophobicity of stationary phase. In addition, other factors, pH of phosphate buffer, ACN content and applied voltage, for instance, have also an obvious effect on the resolution but little on the retention time. Satisfactory separation of these five coumarins was achieved within 6 min under a 30:70 v/v ACN-buffer containing 20 mM sodium dihydrogen phosphate (NaH(2) PO(4) ) and 0.25 mM SDC at pH 2.51. The RSDs of intraday and interday for relative peak areas were less than 3.0% and 4.7%, respectively; and the recoveries were between 87.5% and 95.0%. The LODs were lower than 0.15 μg/mL and the LOQs were lower than 0.30 μg/mL, respectively, while calibration curves showed a good linearity (r(2) > 0.9979). Finally, five target coumarins from the crude extracts of A. dahurica were separated, purified, and concentrated by D-101 macroporous resin, and were successfully separated and quantitatively determined within 6 min.

  9. Functional Reorganization in the Developing Lexicon: Separable and Changing Influences of Lexical and Phonological Variables on Children's Fast-Mapping

    ERIC Educational Resources Information Center

    McKean, Cristina; Letts, Carolyn; Howard, David

    2013-01-01

    Neighbourhood Density (ND) and Phonotactic Probability (PP) influence word learning in children. This influence appears to change over development but the separate developmental trajectories of influence of PP and ND on word learning have not previously been mapped. This study examined the cross-sectional developmental trajectories of influence of…

  10. Interinstrumental transfer of a fast short-end injection capillary electrophoresis method: Application to the separation of niobium, tantalum, and their substituted ions.

    PubMed

    De Cock, Bart; Oliver, James D; Delaunay, Nathalie; Deblonde, Gauthier; Mangelings, Debby; Vander Heyden, Yvan

    2017-08-01

    The interinstrumental transfer of a short-end CE method was studied. A model separation of the hexameric forms of niobium, tantalum, and their substituted ions (Nb6-x Tax with 0 ≤ x ≤ 6) was selected as test case. The method was first optimized on a Beckman instrument and in a second step transferred to an Agilent instrument. The transfer needed updated guidelines that tackled differences in effective capillary length, 8.5 (Agilent) versus 10 cm (Beckman), because of instrumental different capillary cartridges. Differences in effective length lead to migration time and separation efficiency inequalities, illustrated by a decrease in resolution between the substituted ions. The difference in effective length was overcome by adapting the lift offset parameter of the Agilent instrument. The lift offset default setting is 4 mm and by increasing this parameter both the inlet and outlet lifts are lowered and thus the detection window can be displaced and consequently the effective length was increased. The decrease in effective length difference and the effect on the separation efficiency was investigated and led finally to a restored separation of the substituted ions. The adaptation of the lift offset parameter during short-end injection methods was added to earlier developed guidelines to facilitate interinstrumental method transfer of CE methods. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Functional Reorganization in the Developing Lexicon: Separable and Changing Influences of Lexical and Phonological Variables on Children's Fast-Mapping

    ERIC Educational Resources Information Center

    McKean, Cristina; Letts, Carolyn; Howard, David

    2013-01-01

    Neighbourhood Density (ND) and Phonotactic Probability (PP) influence word learning in children. This influence appears to change over development but the separate developmental trajectories of influence of PP and ND on word learning have not previously been mapped. This study examined the cross-sectional developmental trajectories of influence of…

  12. Fast non-aqueous reversed-phase liquid chromatography separation of triacylglycerol regioisomers with isocratic mobile phase. Application to different oils and fats.

    PubMed

    Tamba Sompila, Arnaud W G; Héron, Sylvie; Hmida, Dorra; Tchapla, Alain

    2017-01-15

    The distribution of fatty acid species at the sn-1/3 position or the sn-2 position of triacylglycerols (TAGs) in natural fats and oils affects their physical and nutritional properties. In fats and oils, determining the presence of one or two regioisomers and the identification of structure, where they do have one, as well as their separation, became a problem of fundamental importance to solve. A variety of instrumental technics has been proposed, such as MS, chromatography-MS or pure chromatography. A number of studies deal with the optimization of the separation, but very often, they are expensive in time. In the present study, in order to decrease the analysis time while maintaining good chromatographic separation, we tested different monomeric and polymeric stationary phases and different chromatographic conditions (mobile phase composition and analysis temperature) using Non-Aqueous Reversed Phase Liquid Chromatography (NARP-LC). It was demonstrated that mixed polymeric stationary bonded silica with accessible terminal hydroxyl groups leads to very good separation for the pairs of TAGs regioisomers constituted by two saturated and one unsaturated fatty acid (with double bond number: from 1 to 6). A Nucleodur C18 ISIS percolated by isocratic mobile phase (acetonitrile/2-propanol) at 18°C leads to their separations in less than 15min. The difference of retention times between two regioisomers XYX and XXY are large enough to confirm, as application, the presence of POP, SOP, SOS and PLP and no PPO, SPO, SSO and PPL in Theobroma cacao butter. In the same way, this study respectively shows the presence of SOS, SOP and no SSO, PSO in Butyrospermum parkii butter, POP, SOP, SOS and no PPO, PSO and SSO in Carapa oil and finally POP and no PPO in Pistacia Lentiscus oil.

  13. Installations for separation of hydrogen isotopes by the method of chemical isotopic exchange in the `water-hydrogen` system

    SciTech Connect

    Andreev, B.M.; Sakharovsky, Y.A.; Rozenkevich, M.B.; Magomedbekov, E.P.; Park, Y.S.; Uborskiy, V.V.; Trenin, V.D.; Alekseev, I.A.; Fedorchenko, O.A.; Karpov, S.P.; Konoplev, K.A.

    1995-10-01

    The paper presents the results of more than a year of running a pilot setup for separation of hydrogen isotopes using catalytic isotopic exchange between hydrogen and liquid water. The setup is 5 m high, has the inner diameter of 28 mm, and is equipped with upper and lower reflux devices. The experimental values of HETP vary from 15 cm at T=333 K to 38 cm at T=293 K. The setup is capable of upgrading diluted heavy water with 85-90% deuterium content up to [D{sub 2}O] > 99.95 at.%, yielding daily 4 kg of the product. We also report on the progress in constructing a similar setup for eliminating tritium and an industrial setup, for which the one reported is a prototype. 10 refs., 1 fig., 3 tabs.

  14. Isotopic anomalies of Ne, Xe, and C in meteorites. I - Separation of carriers by density and chemical resistance

    NASA Technical Reports Server (NTRS)

    Ming, Tang; Lewis, Roy S.; Anders, Edward; Grady, M. M.; Wright, I. P.

    1988-01-01

    The carriers of presolar noble gases were studied by isotopically analyzing 19 separates from the Murray and Murchison C2 chondrites for Ne, Xe, C, and N. It is found that the carriers of Ne-E(H) and Xe-S are resistant to HCl, HF, boiling HClO4, and CrO3-H2SO4, and thus must be either diamond or some resistant carbide or oxide. The carrier of Ne-E(L) may be some form of amorphous carbon with delta C13 of about +340 percent. A new carbon component, C theta, found as 0.2-2-micron inclusions in Murchison spinel, is amorphous and contains little or no noble gas. A new heavy nitrogen component is found which has an abundance of about 1 ppm in the bulk meteorite, combusts at 450-500 C, and may be associated wtih isotopically normal carbon or with C-alpha.

  15. Gas-Phase Chemical Separation of Phosphatidylcholine and Phosphatidylethanolamine Cations via Charge Inversion Ion/Ion Chemistry.

    PubMed

    Rojas-Betancourt, Stella; Stutzman, John R; Londry, Frank A; Blanksby, Stephen J; McLuckey, Scott A

    2015-11-17

    The [M + H](+) cations formed upon electrospray ionization of the glycerophospholipids phosphatidylcholine (PC) and phosphatidylethanolamine (PE) show distinct reactivities upon gas-phase reactions with doubly deprotonated 1,4-phenylenedipropionic acid (PDPA). PC cations undergo charge inversion via adduct formation with subsequent methyl cation and proton transfer to the acid to yield [PC - CH3](-) anions. These demethylated PC anions fragment upon ion trap collision-induced dissociation (CID) to yield products that reveal fatty acid chain lengths and degrees of unsaturation. PE cations, on the other hand, undergo charge inversion via double proton transfer to the two carboxylate moieties in doubly deprotonated PDPA to yield [PE - H](-) anions. These anions also fragment upon ion trap CID to yield product ions indicative of chain lengths and degrees of unsaturation in the fatty acyl moieties. Advantage is taken of this distinct reactivity to separate isomeric and isobaric PC and PE cations present in mass spectra of lipid mixtures. A cation precursor ion population containing a mixture of PE and PC cations is mass-selected and subjected to ion/ion charge inversion reactions that result in separation of PC and PE anions into different mass-to-charge ratios. Mass selection and subsequent ion trap CID of the lipid anions allows for the characterization of the isomeric lipids within each subclass. The charge inversion approach described here is demonstrated to provide increased signal-to-noise ratios for detection of PCs and PEs relative to the standard negative ionization approach as well as improved mixture analysis performance.

  16. High resolution LC-ESI-TOF-mass spectrometry method for fast separation, identification, and quantification of 12 isoflavones in soybeans and soybean products.

    PubMed

    Lee, Mi Jin; Chung, Ill-Min; Kim, Hunjung; Jung, Mun Yhung

    2015-06-01

    A high resolution LC-ESI-TOF-MS analytical method was established for the rapid isolation, identification, and quantification of 12 isoflavones in soybean and soybean products. Individual isoflavones were identified on the basis of the accurate mass data of their respective protonated mass ions, Na or K adduct ions, fragment ions, and isotope ion patterns. The protonated mass ions of isoflavones were extracted for their quantification in soybean products. Twelve different isoflavones in the soybean products were fully separated, identified and quantified within 12min separation time. The established LC-TOF/MS was an effective analytical method for the simultaneous characterization and quantification of isoflavones with exceptionally short analytical time, high selectivity, a high linearity (r(2)>0.992) in a wide range, low LOD and LOQ, high precision, inter-and intra-day repeatability, and no significant matrix effect. Furthermore, it requires simple sample preparation procedure (solvent extraction, dilution, and syringe filtration).

  17. A Fast and Robust UHPLC-MRM-MS Method to Characterize and Quantify Grape Skin Tannins after Chemical Depolymerization.

    PubMed

    Pinasseau, Lucie; Verbaere, Arnaud; Roques, Maryline; Meudec, Emmanuelle; Vallverdú-Queralt, Anna; Terrier, Nancy; Boulet, Jean-Claude; Cheynier, Véronique; Sommerer, Nicolas

    2016-10-21

    A rapid, sensitive, and selective analysis method using ultra high performance liquid chromatography coupled with triple-quadrupole mass spectrometry (UHPLC-QqQ-MS) has been developed for the characterization and quantification of grape skin flavan-3-ols after acid-catalysed depolymerization in the presence of phloroglucinol (phloroglucinolysis). The compound detection being based on specific MS transitions in Multiple Reaction Monitoring (MRM) mode, this fast gradient robust method allows analysis of constitutive units of grape skin proanthocyanidins, including some present in trace amounts, in a single injection, with a throughput of 6 samples per hour. This method was applied to a set of 214 grape skin samples from 107 different red and white grape cultivars grown under two conditions in the vineyard, irrigated or non-irrigated. The results of triplicate analyses confirmed the robustness of the method, which was thus proven to be suitable for high-throughput and large-scale metabolomics studies. Moreover, these preliminary results suggest that analysis of tannin composition is relevant to investigate the genetic bases of grape response to drought.

  18. Optimization of chemical compositions in low-carbon Al-killed enamel steel produced by ultra-fast continuous annealing

    SciTech Connect

    Dong, Futao; Du, Linxiu; Liu, Xianghua; Xue, Fei

    2013-10-15

    The influence of Mn,S and B contents on microstructural characteristics, mechanical properties and hydrogen trapping ability of low-carbon Al-killed enamel steel was investigated. The materials were produced and processed in a laboratory and the ultra-fast continuous annealing processing was performed using a continuous annealing simulator. It was found that increasing Mn,S contents in steel can improve its hydrogen trapping ability which is attributed by refined ferrite grains, more dispersed cementite and added MnS inclusions. Nevertheless, it deteriorates mechanical properties of steel sheet. Addition of trace boron results in both good mechanical properties and significantly improved hydrogen trapping ability. The boron combined with nitrogen segregating at grain boundaries, cementite and MnS inclusions, provides higher amount of attractive hydrogen trapping sites and raises the activation energy for hydrogen desorption from them. - Highlights: • We study microstructures and properties in low-carbon Al-killed enamel steel. • Hydrogen diffusion coefficients are measured to reflect fish-scale resistance. • Manganese improves hydrogen trapping ability but decrease deep-drawing ability. • Boron improves both hydrogen trapping ability and deep-drawing ability. • Both excellent mechanical properties and fish-scale resistance can be matched.

  19. Characteristics of a fast rise time power supply for a pulsed plasma reactor for chemical vapor destruction

    SciTech Connect

    Lawless, P.A.; Yamamoto, Toshiaki; Shofran, S.P.; Boss, C.B.; Nunez, C.M.; Ramsey, G.H.; Engels, R.L.

    1996-11-01

    Rotating spark gap devices for switching high-voltage direct current (dc) into a corona plasma reactor can achieve pulse rise times in the range of tens of nanoseconds. The fast rise times lead to vigorous plasma generation without sparking at instantaneous applied voltages higher than can be obtained with dc. The resulting energetic plasma is effective for destroying a variety of molecules. The spark gap circuit configuration plays an important role in the effectiveness of the plasma generation. A single-gap circuit is effective for generating moderate peak voltages, but is limited by a multiple sparking phenomenon. A double-gap circuit can achieve equal peak voltages with every spark, but with a reduced number of pulses, compared to the single gap. Both configurations have an upper voltage imposed by the changing impedance of the reactor as voltage and frequency are varied. The pulse characteristics are reported for both types of circuits. The general performance of the reactors for destruction of some compounds with both circuits is also reported.

  20. Development of an SPE method for the determination of zaleplon and zopiclone in hemolyzed blood using fast GC with negative-ion chemical ionization MS.

    PubMed

    Karlonas, Nerijus; Ramanavicius, Arunas; Ramanaviciene, Almira

    2014-03-01

    An SPE procedure for the determination of zaleplon and zopiclone in low-volume human hemolyzed blood using fast GC with negative-ion chemical ionization MS has been developed and validated. Both analytes were well retained on Oasis MCX and HLB columns, and sufficient extraction efficiency was achieved at pH 9.0. For further study a hydrophilic-lipophilic sorbent Oasis HLB was selected due to the polarity of sorbent surface and its large surface area in order to achieve efficient extraction of both analytes in a single step. Special attention has been paid to choosing washing and eluting solvents, resulting in a particularly/extremely clean and moisture-free extract. The mean extraction efficiency was higher than 90.1% for zaleplon and 82.9% for zopiclone. The precision for zaleplon and zopiclone was between 3.04-10.58% and 4.08-9.52%, respectively. Whereas the accuracy was in the range from -5.73 to 6.00%, and from -7.00 to 6.32% for zaleplon and zopiclone, respectively. The results show that the developed method is accurate, selective, precise, and very fast with excellent recovery and low LOD and LOQ.

  1. Continuous estimation of baseflow in snowmelt-dominated streams and rivers in the Upper Colorado River Basin: A chemical hydrograph separation approach

    USGS Publications Warehouse

    Miller, Matthew P.; Susong, David D.; Shope, Christopher L.; Heilweil, Victor M.; Stolp, Bernard J.

    2014-01-01

    Effective science-based management of water resources in large basins requires a qualitative understanding of hydrologic conditions and quantitative measures of the various components of the water budget, including difficult to measure components such as baseflow discharge to streams. Using widely available discharge and continuously collected specific conductance (SC) data, we adapted and applied a long established chemical hydrograph separation approach to quantify daily and representative annual baseflow discharge at fourteen streams and rivers at large spatial (> 1,000 km2 watersheds) and temporal (up to 37 years) scales in the Upper Colorado River Basin. On average, annual baseflow was 21-58% of annual stream discharge, 13-45% of discharge during snowmelt, and 40-86% of discharge during low-flow conditions. Results suggest that reservoirs may act to store baseflow discharged to the stream during snowmelt and release that baseflow during low-flow conditions, and that irrigation return flows may contribute to increases in fall baseflow in heavily irrigated watersheds. The chemical hydrograph separation approach, and associated conceptual model defined here provide a basis for the identification of land use, management, and climate effects on baseflow.

  2. Superhydrophobic Cu2S@Cu2O film on copper surface fabricated by a facile chemical bath deposition method and its application in oil-water separation

    NASA Astrophysics Data System (ADS)

    Pi, Pihui; Hou, Kun; Zhou, Cailong; Li, Guidong; Wen, Xiufang; Xu, Shouping; Cheng, Jiang; Wang, Shuangfeng

    2017-02-01

    Cu2S and Cu2O composite (Cu2S@Cu2O) film with micro/nano binary structure was created on copper surface using the mixing solution of sodium thiosulphate and copper sulfate by a facile chemical bath deposition method. After modification with low-cost polydimethylsioxane (PDMS), the superhydrophobic Cu2S@Cu2O film was obtained. The as-prepared film shows outstanding water repellency with a water contact angle larger than 150° and long-term storage stability. The geometric morphology and chemical composition of the film were characterized by scanning electron microscope (SEM), energy dispersive spectrometer (EDS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), respectively. Moreover, the same method was used to fabricate superhydrophobic/superoleophilic copper mesh, and it could realize separation of various oily sewages with separation efficiency above 94%. This strategy has potential to fabricate the practical superhydrophobic Cu2S@Cu2O film on copper surface on a large scale due to its simplicity and low cost.

  3. Effect of velocity cross-relaxation and mode separation upon the power spectrum of a chemical oxygen-iodine laser resonator

    NASA Astrophysics Data System (ADS)

    Copeland, Drew A.

    1990-06-01

    A gain model for optical extraction from the CW chemical oxygen-iodine laser medium is described. It uses a simplified, temperatuire-dependent, chemical kinetics package which consists of several reactions between molecular oxygen, atomic and molecular iodine, water, and helium. The Heidner I2 dissociation mechanism is included to allow for incomplete dissociation. Gas flow is treated using a premixed, one-dimensional stream-tube model which accounts for gas expansion and heat release in the cavity. Collisional cross-relaxation effects upon the Doppler-broadened line are treated using a Fokker-Planck diffusion model of the velocity distribution of the upper and lower laser levels. This model, in conjunction with geometric optics, multimode model of an unstable standing-wave confocal resonator, is used to examine the influence of incomplete velocity cross-relaxation and longitudinal mode separation upon the output power and mode spectrum of the laser. It is shown that lasing will occur on all available modes even when the mode separation is less than the collision linewidth.

  4. Fast Prediction of HCCI and PCCI Combustion with an Artificial Neural Network-Based Chemical Kinetic Model

    SciTech Connect

    Piggott, W T; Aceves, S M; Flowers, D L; Chen, J Y

    2007-09-26

    We have added the capability to look at in-cylinder fuel distributions using a previously developed ignition model within a fluid mechanics code (KIVA3V) that uses an artificial neural network (ANN) to predict ignition (The combined code: KIVA3V-ANN). KIVA3V-ANN was originally developed and validated for analysis of Homogeneous Charge Compression Ignition (HCCI) combustion, but it is also applicable to the more difficult problem of Premixed Charge Compression Ignition (PCCI) combustion. PCCI combustion refers to cases where combustion occurs as a nonmixing controlled, chemical kinetics dominated, autoignition process, where the fuel, air, and residual gas mixtures are not necessarily as homogeneous as in HCCI combustion. This paper analyzes the effects of introducing charge non-uniformity into a KIVA3V-ANN simulation. The results are compared to experimental results, as well as simulation results using a more physically representative and computationally intensive code (KIVA3V-MPI-MZ), which links a fluid mechanics code to a multi-zone detailed chemical kinetics solver. The results indicate that KIVA3V-ANN produces reasonable approximations to the more accurate KIVA3V-MPI-MZ at a much reduced computational cost.

  5. Fast synthesis of high-performance graphene films by hydrogen-free rapid thermal chemical vapor deposition.

    PubMed

    Ryu, Jaechul; Kim, Youngsoo; Won, Dongkwan; Kim, Nayoung; Park, Jin Sung; Lee, Eun-Kyu; Cho, Donyub; Cho, Sung-Pyo; Kim, Sang Jin; Ryu, Gyeong Hee; Shin, Hae-A-Seul; Lee, Zonghoon; Hong, Byung Hee; Cho, Seungmin

    2014-01-28

    The practical use of graphene in consumer electronics has not been demonstrated since the size, uniformity, and reliability problems are yet to be solved to satisfy industrial standards. Here we report mass-produced graphene films synthesized by hydrogen-free rapid thermal chemical vapor deposition (RT-CVD), roll-to-roll etching, and transfer methods, which enabled faster and larger production of homogeneous graphene films over 400 × 300 mm(2) area with a sheet resistance of 249 ± 17 Ω/sq without additional doping. The properties of RT-CVD graphene have been carefully characterized by high-resolution transmission electron microscopy, Raman spectroscopy, chemical grain boundary analysis, and various electrical device measurements, showing excellent uniformity and stability. In particular, we found no significant correlation between graphene domain sizes and electrical conductivity, unlike previous theoretical expectations for nanoscale graphene domains. Finally, the actual application of the RT-CVD films to capacitive multitouch devices installed in the most sophisticated mobile phone was demonstrated.

  6. Fast and Efficient Separation and Determination of UV-absorbing Amino Acids, Nucleobases, and Creatinine Using a Carboxy-functionalized Cation-exchange Column.

    PubMed

    Yokoyama, Yukio; Fujishima, Takeru; Kurota, Kazuki

    2015-01-01

    This paper presents a new HPLC technique for the determination of biogenic cations such as amino acids and nucleobases, using a weak-acid cation-exchange column. Fourteen analytes, five amino acids and seven bases in addition to creatinine and creatine, were separated in 12 min by means of a two-liquid gradient elution with UV detection. The newly released column packed with a carboxy-functionalized polymethacrylate resin could give excellent selectivity to the organic cations of interest, although such a column is in general suitable for the separation of inorganic common cations. The chromatographic intra-day repeatability was very good with RSDs less than 0.4%, and the quantitation precision based on peak area intensities was also good with RSDs less than 5% for all analytes. The linear calibration lines for quantitation ranged between 5 and 500 μM on 20-μL injections with R(2) more than 0.9990. Since the method could provide concentration data of urinary creatinine and some metabolites simultaneously, for example, the urinary phenylalanine/creatinine ratios for phenylketonuria of inborn errors of metabolism were simply determined through one chromatographic run. The ratios for patients were significantly higher than those for controls. We found that the new weak-acid cation-exchange column was suitable for the separation of organic cations as well as inorganic cations.

  7. Fast confirmation of 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol (THC-COOH) in urine by LC/MS/MS using negative atmospheric-pressure chemical ionisation (APCI).

    PubMed

    Weinmann, W; Goerner, M; Vogt, S; Goerke, R; Pollak, S

    2001-09-15

    A fast method using automated solid-phase extraction (SPE) and short-column liquid-chromatography coupled to tandem mass-spectrometry (LC/MS/MS) with negative atmospheric-pressure chemical ionisation (APCI) has been developed for the confirmation of 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol (THC-COOH) in urine samples. This highly specific method which combines chromatographic separation and MS/MS-analysis can be used for the confirmation of positive immunoassay results with a NIDA cut-off of 15ng/ml. The conjugates of THC-COOH were hydrolysed prior to SPE, and a standard SPE was performed using C18-SPE columns. No derivatisation of the extracts was needed as in GC/MS analysis, and the LC run-time was 6.5min by gradient elution with a retention time of 2.4min. Linearity of calibration was obtained in the range between 0 and 500ng/ml (correlation coefficient R(2)=0.998). Using linear regression (0-50ng/ml) the limit of detection (LOD) was 2.0ng/ml and the limit of quantitation (LOQ) was 5.1ng/ml; day-to-day reproducibility and precision were tested at 15 and 250ng/ml and were 13.4ng/ml+/-3.3% and 255.8ng/ml+/-4.5%, respectively.

  8. Fast and efficient adsorption of methylene green 5 on activated carbon prepared from new chemical activation method.

    PubMed

    Tran, Hai Nguyen; You, Sheng-Jie; Chao, Huan-Ping

    2017-03-01

    Activated carbon (AC) was synthesized from golden shower (GS) through a new chemical activation process. The three-stage process comprised (1) hydrothermal carbonization of GS to produce hydrochar, (2) pyrolysis of hydrochar to produce biochar, and (3) subsequent chemical activation of biochar with K2CO3 to obtain GSHBAC. The traditional synthesis processes (i.e., one-stage and two-stage) were also examined for comparison. In the one-stage process, GS that was impregnated with K2CO3 was directly pyrolyzed (GSAC), and the two-stage process consisted of (1) pyrolytic or hydrothermal carbonization to produce biochar or hydrochar and (2) subsequent chemical activation was defined as GSBAC and GSHAC, respectively. The synthesized ACs were characterized by scanning electron microscope, Brunauer-Emmett-Teller (BET) surface area analysis, Fourier transform infrared spectrometry, point zero charge, and Boehm titration. The adsorption results demonstrated that the MG5 adsorption process was not remarkably affected by neither the solution pH (2.0-10) nor ionic strength (0-0.5 M NaCl). Kinetic studies showed that the adsorption equilibrium was quickly established, with a low activation energy required for adsorption (Ea; 3.30-27.8 kJ/mol), and the ACs removed 50-73% of the MG5 concentration from solution within 01 min. Desorption studies confirmed the adsorption was irreversible. Thermodynamic experiments suggested that the MG5 adsorption was spontaneous (-ΔG°) and endothermic (+ΔH°), and increased the randomness (+ΔS°) in the system. Although the specific surface areas of the ACs followed the order GSAC (1,413) > GSHAC (1,238) > GSHBAC (903) > GSBAC (812 m(2)/g), the maximum adsorption capacities determined from the Langmuir model (Q(o)max) at 30 °C exhibited the following order: GSHBAC (531) > GSAC (344) > GSHAC (332) > GSBAC (253 mg/g). Oxygenation of the ACs' surface through a hydrothermal process with acrylic acid resulted in a decrease in MG5

  9. Accurate fast method with high chemical yield for determination of uranium isotopes (234U, 235U, 238U) in granitic samples using alpha spectroscopy

    NASA Astrophysics Data System (ADS)

    Guirguis, Laila A.; Farag, Nagdy M.; Salim, Adham K.

    2015-03-01

    The present study aims to use the α-spectroscopy at Nuclear Materials Authority (NMA) of Egypt. A radiochemical technique for analysis uranium isotopes was carried out for ten mineralized granitic samples together with the International standards RGU-1 (IAEA) and St4 (NMA). Several steps of sample preparation, radiochemical separation and source preparation were performed before analysis. Uranium was separated from sample matrix with 0.2 M TOPO in cyclohexane as an extracting agent with a chemical yield 98.95% then uranium was purified from lanthanides and actinides present with 0.2 M TOA in xylene as an extracting agent. The pure fraction was electrodeposited on a mirror-polished copper disc from buffer solution (NaHSO4+H2SO4+NH4OH). Rectangle pt-electrode with an anode-cathode distance of 2 cm was used. Current was 900 mA and the electrodeposition time reach up to 120 min. The achieved results show that the chemical yield ranged between 87.9±6.8 and 98±8.6.

  10. Dual silicon surface-barrier detectors and associated electronics for monitoring chemical separation of sup 249 Cf and sup 249 Bk

    SciTech Connect

    Chiles, M.M.

    1990-01-01

    The isotopes {sup 249}Cf and {sup 249}Bk are chemically separated by ion exchange chromatography at the Oak Ridge National Laboratory Transuranium Processing Plant. Control of the separation depends on the operator's ability to distinguish electronically between alpha radiation from the {sup 249}Cf and beta particles from the {sup 249}Bk. This new monitoring system consists of two surface-barrier detectors, each having its own channel of electronics and data acquisition. The two detectors are mounted in a Teflon holder and positioned near the tip of the ion exchange column, where droplets of solution are formed as the nuclides are eluted from the column. Amplifier gain and window settings on the single-channel analyzer (SCA) for one detector are adjusted to count the energetic alpha particles from the {sup 249}Cf, while the electronic settings of the other channel are adjusted to count the lower energy beta particles from {sup 249}Bk. The alpha count rate will increase first as {sup 249}Cf passes from the column; then the beta count rate increases, indicating that {sup 249}Bk is being eluted. At this point, the operator can make a cut in the separation process. 4 figs.

  11. Automated radioanalytical system incorporating microwave-assisted sample preparation, chemical separation, and online radiometric detection for the monitoring of total 99Tc in nuclear waste processing streams.

    PubMed

    Egorov, Oleg B; O'Hara, Matthew J; Grate, Jay W

    2012-04-03

    An automated fluidic instrument is described that rapidly determines the total (99)Tc content of aged nuclear waste samples, where the matrix is chemically and radiologically complex and the existing speciation of the (99)Tc is variable. The monitor links microwave-assisted sample preparation with an automated anion exchange column separation and detection using a flow-through solid scintillator detector. The sample preparation steps acidify the sample, decompose organics, and convert all Tc species to the pertechnetate anion. The column-based anion exchange procedure separates the pertechnetate from the complex sample matrix, so that radiometric detection can provide accurate measurement of (99)Tc. We developed a preprogrammed spike addition procedure to automatically determine matrix-matched calibration. The overall measurement efficiency that is determined simultaneously provides a self-diagnostic parameter for the radiochemical separation and overall instrument function. Continuous, automated operation was demonstrated over the course of 54 h, which resulted in the analysis of 215 samples plus 54 hly spike-addition samples, with consistent overall measurement efficiency for the operation of the monitor. A sample can be processed and measured automatically in just 12.5 min with a detection limit of 23.5 Bq/mL of (99)Tc in low activity waste (0.495 mL sample volume), with better than 10% RSD precision at concentrations above the quantification limit. This rapid automated analysis method was developed to support nuclear waste processing operations planned for the Hanford nuclear site.

  12. In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities.

    PubMed

    Ottaviani, Giorgio; Martel, Sophie; Carrupt, Pierre-Alain

    2007-02-22

    The development of in silico and in vitro tools to estimate or predict the passive human skin permeation and distribution of new chemical entities, useful in dermal drug delivery, in absorption studies of toxic compounds, and in the cosmetics industry, is presented. In vitro permeation parameters were measured using the artificial membrane PAMPA-skin. The Volsurf approach was then applied to extract pertinent descriptors from molecular interaction fields characterizing the molecular structure of tested compounds. Two useful three-dimensional solvatochromic models able to predict PAMPA permeation parameters directly from the molecular structure were obtained using the partial least squares analysis. The models also provide valuable information to understand the link between physicochemical and structural properties of tested compounds and their interactions with the artificial membrane PAMPA-skin and can be useful to rapidly estimate their permeation through the human skin.

  13. Solving the chemical master equation by a fast adaptive finite state projection based on the stochastic simulation algorithm.

    PubMed

    Sidje, R B; Vo, H D

    2015-11-01

    The mathematical framework of the chemical master equation (CME) uses a Markov chain to model the biochemical reactions that are taking place within a biological cell. Computing the transient probability distribution of this Markov chain allows us to track the composition of molecules inside the cell over time, with important practical applications in a number of areas such as molecular biology or medicine. However the CME is typically difficult to solve, since the state space involved can be very large or even countably infinite. We present a novel way of using the stochastic simulation algorithm (SSA) to reduce the size of the finite state projection (FSP) method. Numerical experiments that demonstrate the effectiveness of the reduction are included.

  14. Characterization of Diesel Fuel by Chemical Separation Combined with Capillary Gas Chromatography (GC) Isotope Ratio Mass Spectrometry (IRMS)

    SciTech Connect

    Harvey, Scott D.; Jarman, Kristin H.; Moran, James J.; Sorensen, Christina M.; Wright, Bob W.

    2011-09-15

    The purpose of this study was to perform a preliminary investigation of compound-specific isotope analysis (CSIA) of diesel fuels to evaluate whether the technique could distinguish between the diesel samples from different sources/locations. The ability to differentiate or correlate diesel samples could be valuable for detecting fuel tax evasion schemes. Two fractionation techniques were used to isolate the n-alkanes from the fuel. Both δ13C and δD values for the n-alkanes were then determined by CSIA in each sample. Plots of δD versus δ13C with sample n-alkane points connected in order of increasing carbon number gave well separated clusters with characteristic shapes for each sample. Principal components analysis (PCA) with δ13C, δD, or combined δ13C and δD data on the yielded scores plots that could clearly differentiate the samples, thereby demonstrating the potential of this approach for fingerprinting fuel samples using the δ13C and δD values.

  15. Cell-surface modification of non-GMO without chemical treatment by novel GMO-coupled and -separated cocultivation method.

    PubMed

    Miura, Natsuko; Aoki, Wataru; Tokumoto, Naoki; Kuroda, Kouichi; Ueda, Mitsuyoshi

    2009-02-01

    We developed a novel method to coat living non-genetically modified (GM) cells with functional recombinant proteins. First, we prepared GM yeast to secrete constructed proteins that have two domains: a functional domain and a binding domain that recognizes other cells. Second, we cocultivated GM and non-GM yeasts that share and coutilize the medium containing recombinant proteins produced by GM yeasts using a filter-membrane-separated cultivation reactor. We confirmed that GM yeast secreted enhanced green fluorescent protein (EGFP) fusion proteins to culture medium. After cocultivation, EGFP fusion proteins produced by GM yeast were targeted to non-GM yeast (Saccharomyces cerevisiae BY4741DeltaCYC8 strain) cell surface. Yeast cell-surface engineering is a useful method that enables the coating of GM yeast cell surface with recombinant proteins to produce highly stable and accumulated protein particles. The results of this study suggest that development of cell-surface engineering from GM organisms (GMOs) to living non-GMOs by our novel cocultivation method is possible.

  16. Direct probe atmospheric pressure photoionization/atmospheric pressure chemical ionization high-resolution mass spectrometry for fast screening of flame retardants and plasticizers in products and waste.

    PubMed

    Ballesteros-Gómez, A; Brandsma, S H; de Boer, J; Leonards, P E G

    2014-04-01

    In this study, we develop fast screening methods for flame retardants and plasticizers in products and waste based on direct probe (DP) atmospheric pressure photoionization (APPI) and atmospheric pressure chemical ionization (APCI) coupled to a high-resolution (HR) time-of-flight mass spectrometer. DP-APPI is reported for the first time in this study, and DP-APCI that has been scarcely exploited is optimized for comparison. DP-APPI was more selective than DP-APCI and also more sensitive for the most hydrophobic compounds. No sample treatment was necessary, and only a minimal amount of sample (few milligrams) was used for analysis that was performed within a few minutes. Both methods were applied to the analysis of plastic products, electronic waste, and car interiors. Polybrominated diphenylethers, new brominated flame retardants, and organophosphorus flame retardants were present in most of the samples. The combination of DP with HR mass spectra and data processing based on mass accuracy and isotopic patterns allowed the unambiguous identification of chemicals at low levels of about 0.025 % (w/w). Under untargeted screening, resorcinol bis(biphenylphosphate) and bisphenol A bis(bisphenylphosphate) were identified in many of the consumer products of which literature data are still very limited.

  17. Effect of the β decay of metallic fission products on the chemical and phase compositions of the uranium-plutonium nitride nuclear fuel irradiated by fast neutrons

    NASA Astrophysics Data System (ADS)

    Bondarenko, G. G.; Androsov, A. V.; Bulatov, G. S.; Gedgovd, K. N.; Lyubimov, D. Yu.; Yakunkin, M. M.

    2016-09-01

    Thermodynamic analysis of the chemical and phase compositions of uranium-plutonium nitride (U0.8Pu0.2)N0.995 irradiated by fast neutrons to a burn-up fraction of 14% shows that a structure, which consists of a solid solution based on uranium and plutonium nitrides and containing some elements (americium, neptunium, zirconium, yttrium, lanthanides), individual condensed phases (U2N3, CeRu2, Ba3N2, CsI, Sr3N2, LaSe), metallic molybdenum and technetium, and U(Ru, Rh, Pd)3 intermetallics, forms due to the accumulation of metallic fission products. The contents and compositions of these phases are calculated. The change in the chemical and phase compositions of the irradiated uranium-plutonium nitride during the β decay of metallic radioactive fission products is studied. The kinetics of the transformations of 95Nb41N, 143Pr59N, 151Sm62N, and 147NdN into 95Mo42 + Ns.s., 143Nd60N, 151Eu63N, and 147SmN, respectively, is calculated.

  18. Fast separation, characterization, and speciation of gold and silver nanoparticles and their ionic counterparts with micellar electrokinetic chromatography coupled to ICP-MS.

    PubMed

    Franze, Bastian; Engelhard, Carsten

    2014-06-17

    In this study, a method for separation, size characterization, and speciation of gold and silver nanoparticles was developed through the use of micellar electrokinetic chromatography (MEKC) coupled to inductively coupled plasma-mass spectrometry (ICP-MS) for the first time. Figures of merit in this proof-of-principle study include peak area precision of 4-6%, stable migration times (1.4% with internal standard), and capillary recoveries on the order of 72-100% depending on species and nanoparticle size, respectively. Detection limits are currently in the sub-microgram per liter range. For example, a total of 1500 50-nm-sized gold nanoparticles were successfully detected. After careful optimization, MEKC-ICP-MS was used to separate engineered nanoparticles (ENPs) of different composition. Speciation analysis of ENPs and free metal ions in solution was feasible using a complexing agent (penicillamine). Gold speciation analysis of a dietary supplement, which contained approximately 6-nm-sized gold nanoparticles, was demonstrated.

  19. Variable delay multi-pulse train for fast chemical exchange saturation transfer and relayed-nuclear overhauser enhancement MRI.

    PubMed

    Xu, Jiadi; Yadav, Nirbhay N; Bar-Shir, Amnon; Jones, Craig K; Chan, Kannie W Y; Zhang, Jiangyang; Walczak, P; McMahon, Michael T; van Zijl, Peter C M

    2014-05-01

    Chemical exchange saturation transfer (CEST) imaging is a new MRI technology allowing the detection of low concentration endogenous cellular proteins and metabolites indirectly through their exchangeable protons. A new technique, variable delay multi-pulse CEST (VDMP-CEST), is proposed to eliminate the need for recording full Z-spectra and performing asymmetry analysis to obtain CEST contrast. The VDMP-CEST scheme involves acquiring images with two (or more) delays between radiofrequency saturation pulses in pulsed CEST, producing a series of CEST images sensitive to the speed of saturation transfer. Subtracting two images or fitting a time series produces CEST and relayed-nuclear Overhauser enhancement CEST maps without effects of direct water saturation and, when using low radiofrequency power, minimal magnetization transfer contrast interference. When applied to several model systems (bovine serum albumin, crosslinked bovine serum albumin, l-glutamic acid) and in vivo on healthy rat brain, VDMP-CEST showed sensitivity to slow to intermediate range magnetization transfer processes (rate < 100-150 Hz), such as amide proton transfer and relayed nuclear Overhauser enhancement-CEST. Images for these contrasts could be acquired in short scan times by using a single radiofrequency frequency. VDMP-CEST provides an approach to detect CEST effect by sensitizing saturation experiments to slower exchange processes without interference of direct water saturation and without need to acquire Z-spectra and perform asymmetry analysis. Copyright © 2013 Wiley Periodicals, Inc.

  20. Variable Delay Multi-Pulse Train for Fast Chemical Exchange Saturation Transfer and Relayed-Nuclear Overhauser Enhancement MRI

    PubMed Central

    Xu, Jiadi; Yadav, Nirbhay N.; Bar-Shir, Amnon; Jones, Craig K.; Chan, Kannie W. Y.; Zhang, Jiangyang; Walczak, P.; McMahon, Michael T.; van Zijl, Peter C. M.

    2013-01-01

    Purpose Chemical exchange saturation transfer (CEST) imaging is a new MRI technology allowing the detection of low concentration endogenous cellular proteins and metabolites indirectly through their exchangeable protons. A new technique, variable delay multi-pulse CEST (VDMP-CEST), is proposed to eliminate the need for recording full Z-spectra and performing asymmetry analysis to obtain CEST contrast. Methods The VDMP-CEST scheme involves acquiring images with two (or more) delays between radiofrequency saturation pulses in pulsed CEST, producing a series of CEST images sensitive to the speed of saturation transfer. Subtracting two images or fitting a time series produces CEST and relayed-nuclear Overhauser enhancement CEST maps without effects of direct water saturation and, when using low radiofrequency power, minimal magnetization transfer contrast interference. Results When applied to several model systems (bovine serum albumin, crosslinked bovine serum albumin, l-glutamic acid) and in vivo on healthy rat brain, VDMP-CEST showed sensitivity to slow to intermediate range magnetization transfer processes (rate < 100–150 Hz), such as amide proton transfer and relayed nuclear Overhauser enhancement-CEST. Images for these contrasts could be acquired in short scan times by using a single radiofrequency frequency. Conclusions VDMP-CEST provides an approach to detect CEST effect by sensitizing saturation experiments to slower exchange processes without interference of direct water saturation and without need to acquire Z-spectra and perform asymmetry analysis. PMID:23813483

  1. Fast analysis of high-energy compounds and agricultural chemicals in water with desorption electrospray ionization mass spectrometry.

    PubMed

    Mulligan, Christopher C; MacMillan, Denise K; Noll, Robert J; Cooks, R Graham

    2007-01-01

    Novel sampling and detection methods using desorption electrospray ionization (DESI) are examined in the detection of explosives (RDX, TNT, HMX, and TNB) and agricultural chemicals (atrazine, alachlor and acetochlor) from aqueous matrices and authentic contaminated groundwater samples. DESI allows analysis of solid and liquid compounds directly from surfaces of interest with little or no sample preparation. Significant savings in analysis time and sample preparation are realized. The methods investigated here include (i) immediate analysis of filter paper wetted with contaminated water samples without further sample preparation, (ii) rapid liquid-liquid extraction (LLE), and (iii) analyte extraction from contaminated groundwater samples on-site using solid-phase extraction (SPE) membranes, followed by direct DESI analysis of the membrane. The wetted filter paper experiment demonstrates the maximum sample throughput for DESI analysis of aqueous matrices but has inadequate sensitivity for some of these analytes. Both the LLE and the SPE methods have adequate sensitivity. The resulting SPE membranes and/or small volume solvent extracts produced in these experiments are readily transported to off-site facilities for direct analysis by DESI. This realizes a significant reduction in the costs of sample shipping compared with those for typical liter-sized samples of groundwater. Total analysis times for these preliminary DESI analyses are comparable with or shorter than those for GC/MS and limits of detection approach environmental action levels for these compounds while maintaining a modest relative standard deviation. Tandem mass spectrometric data is used to provide additional specificity as needed.

  2. Microwave-enhanced synthesis of magnetic porous covalent triazine-based framework composites for fast separation of organic dye from aqueous solution.

    PubMed

    Zhang, Wang; Liang, Fei; Li, Cun; Qiu, Ling-Guang; Yuan, Yu-Peng; Peng, Fu-Min; Jiang, Xia; Xie, An-Jian; Shen, Yu-Hua; Zhu, Jun-Fa

    2011-02-28

    A novel type of magnetic porous carbonaceous polymeric material, CTF/Fe(2)O(3) composite (CTF = covalent triazine-based framework), has been synthesized by a facile microwave-enhanced high-temperature ionothermal method. By selecting ZnCl(2) as a reaction medium and the Lewis acid catalyst, and choosing FeCl(3)·6H(2)O as an iron oxide precursor, a series of CTF/Fe(2)O(3) composites with different γ-Fe(2)O(3) contents has been prepared in 60 min. The resulting samples were characterized by the X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), vibration sample magnetometer (VSM), and N(2) sorption-desorption isotherms. The obtained CTF/Fe(2)O(3) composites exhibit high surface areas (930-1149 m(2) g(-1)), and their saturation magnetizations at 300 K vary from 1.1 to 5.9 emu g(-1), depending respectively on different Fe(2)O(3) contents (6.43-12.43 wt%) in the CTF/Fe(2)O(3) composites. The CTF/Fe(2)O(3) composites were applied to remove organic dye from aqueous solution by selecting methyl orange as a model molecule, and both high adsorption capacity (291 mg g(-1), corresponding to 0.889 mmol g(-1)) and fast adsorption kinetics (k(ads) = 4.31 m(2) mg(-1) min(-1)) were observed.

  3. Disposable terbium (III) salicylate complex imprinted membrane using solid phase surface fluorescence method for fast separation and detection of salicylic acid in pharmaceuticals and human urine.

    PubMed

    Huang, Jianxiang; Hu, Yufei; Hu, Yuling; Li, Gongke

    2013-03-30

    In this work, a simple, low cost, selective and sensitive complex imprinted membrane (CIM) for solid-phase fluorescent detection was developed with terbium (III) salicylate as complex template. Terbium-sensitized luminescence was employed for monitoring salicylic acid (SA) based on the fluorescence enhancement effect of benzoic acid derivatives on lanthanide ion Tb (III). The resulting CIM showed good fluorescent response and high selectivity towards SA with Tb as pivot in protic solvents, while demonstrating better analytical performance than the controlled membranes. The optimized adsorption time was 10 min, indicating rapid kinetics of the imprinted membrane. The linear response of CIM to SA was from 0.20 to 10mg/L with limit of detection (LOD) of 0.040 mg/L. The prepared CIM was successfully applied to the analysis of salicylic acid in pharmaceuticals and spiked human urine with recoveries of 80.6%-88.1%. The analytical results of the proposed method were in good agreement with those obtained by high performance liquid chromatography (HPLC) method, indicating that the developed membrane has acceptable practicability for fast determination of SA in real samples. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Fast Breeder Reactor studies

    SciTech Connect

    Till, C.E.; Chang, Y.I.; Kittel, J.H.; Fauske, H.K.; Lineberry, M.J.; Stevenson, M.G.; Amundson, P.I.; Dance, K.D.

    1980-07-01

    This report is a compilation of Fast Breeder Reactor (FBR) resource documents prepared to provide the technical basis for the US contribution to the International Nuclear Fuel Cycle Evaluation. The eight separate parts deal with the alternative fast breeder reactor fuel cycles in terms of energy demand, resource base, technical potential and current status, safety, proliferation resistance, deployment, and nuclear safeguards. An Annex compares the cost of decommissioning light-water and fast breeder reactors. Separate abstracts are included for each of the parts.

  5. Determination of pore size distributions in capillary-channeled polymer fiber stationary phases by inverse size-exclusion chromatography and implications for fast protein separations.

    PubMed

    Wang, Zhengxin; Marcus, R Kenneth

    2014-07-18

    Capillary-channeled polymer (C-CP) fibers have been utilized as liquid chromatography stationary phases, primarily for biomacromolecule separations on the analytical and preparative scales. The collinear packing of the eight-channeled C-CP fibers provides for very efficient flow, allowing operation at high linear velocity (u>100mm s(-1)) and low backpressure (<2000psi) in analytical-scale separations. To take advantage of these fluid transport properties, there must not be mass transfer limitations as would be imposed by having an appreciably porous phase, wherein solute diffusion limits the overall mass transport rates. To better understand the physical nano-/micro- structure of C-CP fibers, inverse size exclusion chromatography (iSEC) has been employed to determine the pore size distribution (PSD) within C-CP fibers. A diversity of test species (from metal ions to large proteins) was used as probes under non-retaining conditions to obtain a response curve reflecting the apparent partition coefficient (Kd) versus hydrodynamic radii (rm). A mean pore radius (rp) of 4.2nm with standard deviation (sp) of ±1.1nm was calculated by fitting the Kd versus rm data to model equations with a Gaussian pore size distribution, and a pore radius of 4.0±0.1nm was calculated based on a log-normal distribution. The derived mean pore radius is much smaller than traditional support materials, with the standard deviation showing a relatively uniform pore distribution. van Deemter plots were analyzed to provide practical confirmation of the structural implications. Large molecules (e.g., proteins) that are fully excluded from pores have no significant C-terms in the van Deemter plots whereas small molecules that can access the pore volumes display appreciable C-terms, as expected. Fitting of retention data to the Knox equation suggests that the columns operate with a characteristic particle diameter (dp) of ∼53μm.

  6. Large-scale separation of antipsychotic alkaloids from Rauwolfia tetraphylla L. by pH-zone-refining fast centrifugal partition chromatography.

    PubMed

    Maurya, Anupam; Gupta, Shikha; Srivastava, Santosh K

    2013-01-01

    pH-zone-refining centrifugal partition chromatography was successively applied in the large-scale separation of close R(f) antipsychotic indole alkaloids directly from CHCl(3) fraction of Rauwolfia tetraphylla leaves. Two experiments with increasing mass from 500 mg to 3 g of crude alkaloid extracts (1C) of R. tetraphylla were carried out in normal-displacement mode using a two-phase solvent system composed of methyl tert-butyl ether/ACN/water (4:1:5, v/v/v) where HCl (12 mM) was added to the lower aqueous stationary phase as a retainer and triethylamine (5 mM) to the organic mobile phase as an eluter. The two centrifugal partition chromatography separations afforded a total of 162.6 mg of 10-methoxytetrahydroalstonine (1) and 296.5 mg of isoreserpiline (2) in 97% and 95.5% purity, respectively, along with a 400.9 mg mixture of α-yohimbine and reserpiline (3 and 4). Further, this mixture was resolved over medium pressure LC using TLC grade silica gel H (average particle size 10 μm), which afforded 160.4 mg of α-yohimbine (3) and 150.2 mg of reserpiline (4) in >95% purities. The purity of the isolated antipsychotic alkaloids was analyzed by high-performance LC and their structures were characterized on the basis of their 1D, 2D NMR and electrospray ionization-mass spectroscopic data. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Application of chemical, biological and membrane separation processes in textile industry with recourse to zero effluent discharge--a case study.

    PubMed

    Nandy, T; Dhodapkar, R S; Pophali, G R; Kaul, S N; Devotta, S

    2005-09-01

    Environmental concerns associated with textile processing had placed the textile sector in a Southern State of India under serious threat of survival. The textile industries were closed under the orders of the Statutory Board for reason of inadequate compliance to environmental discharge norms of the State for the protection of the drinking water source of the State capital. In compliance with the direction of the Board for zero effluent discharge, advanced treatment process have been implemented for recovery of boiler feed quality water with recourse to effluent recycling/reuse. The paper describes to a case study on the adequacy assessment of the full scale effluent treatment plant comprising chemical, biological and filtration processes in a small scale textile industry. In addition, implementation of measures for discernable improvement in the performance of the existing units through effective operation & maintenance, and application of membrane separation processes leading to zero effluent discharge is also highlighted.

  8. Unique battery with an active membrane separator having uniform physico-chemically functionalized ion channels and a method making the same

    DOEpatents

    Gerald, II, Rex E.; Ruscic, Katarina J [Chicago, IL; Sears, Devin N [Spruce Grove, CA; Smith, Luis J [Natick, MA; Klingler, Robert J [Glenview, IL; Rathke, Jerome W [Homer Glen, IL

    2012-02-21

    The invention relates to a unique battery having an active, porous membrane and method of making the same. More specifically the invention relates to a sealed battery system having a porous, metal oxide membrane with uniform, physicochemically functionalized ion channels capable of adjustable ionic interaction. The physicochemically-active porous membrane purports dual functions: an electronic insulator (separator) and a unidirectional ion-transporter (electrolyte). The electrochemical cell membrane is activated for the transport of ions by contiguous ion coordination sites on the interior two-dimensional surfaces of the trans-membrane unidirectional pores. The membrane material is designed to have physicochemical interaction with ions. Control of the extent of the interactions between the ions and the interior pore walls of the membrane and other materials, chemicals, or structures contained within the pores provides adjustability of the ionic conductivity of the membrane.

  9. The production of chemicals from food processing wastes using a novel fermenter separator: Fourth quarterly progress report, June 1--August 31, 1988

    SciTech Connect

    Dale, M.C.; Park, C.H.; Lee, W.; Lin, J.; Havlik, S.; Lineback, D.; Okos, M.R.; Wankat, P.C.

    1988-09-01

    Fermentation costs (which increase with higher product concentration) traditionally must be balanced against product recovery costs (which decrease with product concentration). A novel reactor-separator process has been developed at Purdue University to minimize product inhibition of fermentation rates. This has been shown to exhibit very high productivities---simultaneously producing and removing a inhibitory product while maintaining a high viable cell concentration in the reactor. The objective of this study is to develop an energy efficient and economical process to convert food wastes to usable chemicals. Work is divided into two major effects (1) an applied phase which involves design and building a whey to ethanol process as well as process design and optimization and (2) a basic phase which involves investigating alternative fermentation systems and fundamental research on immobilized cell reactor systems. Accomplishments are discussed. 13 refs., 8 figs., 6 tabs.

  10. The production of chemicals from food processing wastes using a novel fermenter separator: Seventh quarterly report, March 1, 1989--May 31, 1989

    SciTech Connect

    Dale, M.C.; Park, C.H.; Lee, W.; Havlik, S.; Lineback, D.; Okos, M.R.; Wankat, P.C.

    1989-07-01

    Fermentation costs (which increase with higher product concentration) traditionally must be balanced against product recovery costs (which decrease with product concentration). A novel reactor-separator process has been developed at Purdue University to minimize product inhibition of fermentation rates. This has been shown to exhibit very high productivities -- simultaneously producing and removing a inhibitory product while maintaining a high viable cell concentration in the reactor. The objective of this study is to develop an energy efficient and economical process to convert food wastes to usable chemicals. Work is divided into two major effects (1) an applied phase which involves design and building a whey to ethanol process as well as process design and optimization and (2) a basic phase which involves investigating alternative fermentation systems and fundamental research on immobilized cell reactor systems. Accomplishments are discussed.

  11. Co-assembly of CdTe and Fe3O4 with molecularly imprinted polymer for recognition and separation of endocrine disrupting chemicals

    NASA Astrophysics Data System (ADS)

    Chang, Limin; Chen, Shaona; Chu, Jia; Li, Xin

    2013-11-01

    In this study, we present a general protocol to fabricate imprinting matrix co-loaded with CdTe quantum dots and Fe3O4 nanoparticles for the recognition of endocrine disrupting chemicals (EDCs). The resultant composites were characterized by transmission electron microscopy, fluorescence spectroscopy, and energy dispersive spectroscopy. The materials have been demonstrated to be characterized with spherical shape with a saturation magnetization value of 1.7 emu g-1. Furthermore, the rebinding experiments show that the resultant materials have greater affinity and selectivity towards p-nitrophenol (model EDCs) over structurally related compounds. We believe that the effective method proposed in this work might provide a platform to prepare magnetic and fluorescent molecularly imprinted polymers for the recognition and separation of EDCs.

  12. Method for quantitative determination and separation of trace amounts of chemical elements in the presence of large quantities of other elements having the same atomic mass

    DOEpatents

    Miller, C.M.; Nogar, N.S.

    1982-09-02

    Photoionization via autoionizing atomic levels combined with conventional mass spectroscopy provides a technique for quantitative analysis of trace quantities of chemical elements in the presence of much larger amounts of other elements with substantially the same atomic mass. Ytterbium samples smaller than 10 ng have been detected using an ArF* excimer laser which provides the atomic ions for a time-of-flight mass spectrometer. Elemental selectivity of greater than 5:1 with respect to lutetium impurity has been obtained. Autoionization via a single photon process permits greater photon utilization efficiency because of its greater absorption cross section than bound-free transitions, while maintaining sufficient spectroscopic structure to allow significant photoionization selectivity between different atomic species. Separation of atomic species from others of substantially the same atomic mass is also described.

  13. Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals

    NASA Astrophysics Data System (ADS)

    Golze, Dorothea; Benedikter, Niels; Iannuzzi, Marcella; Wilhelm, Jan; Hutter, Jürg

    2017-01-01

    An integral scheme for the efficient evaluation of two-center integrals over contracted solid harmonic Gaussian functions is presented. Integral expressions are derived for local operators that depend on the position vector of one of the two Gaussian centers. These expressions are then used to derive the formula for three-index overlap integrals where two of the three Gaussians are located at the same center. The efficient evaluation of the latter is essential for local resolution-of-the-identity techniques that employ an overlap metric. We compare the performance of our integral scheme to the widely used Cartesian Gaussian-based method of Obara and Saika (OS). Non-local interaction potentials such as standard Coulomb, modified Coulomb, and Gaussian-type operators, which occur in range-separated hybrid functionals, are also included in the performance tests. The speed-up with respect to the OS scheme is up to three orders of magnitude for both integrals and their derivatives. In particular, our method is increasingly efficient for large angular momenta and highly contracted basis sets.

  14. Fast hydrothermal liquefaction for production of chemicals and biofuels from wet biomass - The need to develop a plug-flow reactor.

    PubMed

    Tran, Khanh-Quang

    2016-08-01

    Hydrothermal liquefaction (HTL) is a promising technology for converting wet plant biomass directly to liquid fuels and chemicals. However, some aspects of the technology are not fully understood and still disputed. The reactor material constraints and difficulties coupled with the formation of unwanted products are the main challenges limiting the applications of the technology. In addition, heat and mass transfer limitations in the reaction system result in a lower conversion efficiency and selectivity, of which the later would make it difficult and expensive for products separation, purification, and/or modification of the products. This paper discusses the challenges and current status of possible solutions to the challenges, focusing on the need of developing a special plug-flow reactor for scaling up of the HTL process. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. A fresh look at dense hydrogen under pressure. II. Chemical and physical models aiding our understanding of evolving H-H separations.

    PubMed

    Labet, Vanessa; Hoffmann, Roald; Ashcroft, N W

    2012-02-21

    In order to explain the intricate dance of intramolecular (intra-proton-pair) H-H separations observed in a numerical laboratory of calculationally preferred static hydrogen structures under pressure, we examine two effects through discrete molecular models. The first effect, we call it physical, is of simple confinement. We review a salient model already in the literature, that of LeSar and Herschbach, of a hydrogen molecule in a spheroidal cavity. As a complement, we also study a hydrogen molecule confined along a line between two helium atoms. As the size of the cavity/confining distance decreases (a surrogate for increasing pressure), in both models the equilibrium proton separation decreases and the force constant of the stretching vibration increases. The second effect, which is an orbital or chemical factor, emerges from the electronic structure of the known molecular transition metal complexes of dihydrogen. In these the H-H bond is significantly elongated (and the vibron much decreased in frequency) as a result of depopulation of the σ(g) bonding molecular orbital of H(2), and population of the antibonding σ(u)∗ MO. The general phenomenon, long known in chemistry, is analyzed through a specific molecular model of three hydrogen molecules interacting in a ring, a motif found in some candidate structures for dense hydrogen.

  16. Photoelectric characteristics of InGaP/Ga(In)As/Ge solar cells fabricated with a single-stage wet chemical etching separation process

    NASA Astrophysics Data System (ADS)

    Kalinovsky, Vitaly S.; Grebenshchikova, Elena A.; Dmitriev, Pavel A.; Il'inskaya, Natalia D.; Kontrosh, Evgeny V.; Malevskaya, Alexandra V.; Usikova, Anna A.; Andreev, Viacheslav M.

    2014-09-01

    In this work we present a post-growth fabrication process, in which the separation of InGaP/Ga(In)As/Ge epitaxial wafers into individual elements is done in a single-stage wet chemical etching process, which produces a smooth etching profile. This process makes it easier to apply a passivating protective layer to the element mesa sidewall, increasing both average cell efficiency and reliability. To assess fabricated multi-junction solar cell quality, dark J-V characteristics were measured directly on the epitaxial wafer at current densities of (1ṡ10-12 - 10) A/cm2 and voltages of (0 - 3) V. The dominating current flow mechanisms and their corresponding pre-exponential factors J0i were determined, and estimates of cell efficiencies made. We have demonstrated that the post-growth processes with single-stage separation etching of InGaP/Ga(In)As/Ge epitaxial wafers allows fabricating multi-junction solar cells with very similar J-V characteristics, similar low values of pre-exponential factors corresponding to "tunnel-trap" (overabundant) and "recombination" current flow mechanisms and high efficiencies.

  17. Normal phase liquid chromatography coupled to quadrupole time of flight atmospheric pressure chemical ionization mass spectrometry for separation, detection and mass spectrometric profiling of neutral sphingolipids and cholesterol.

    PubMed

    Farwanah, Hany; Wirtz, Jennifer; Kolter, Thomas; Raith, Klaus; Neubert, Reinhard H H; Sandhoff, Konrad

    2009-10-01

    Many lipidomic approaches focus on investigating aspects of sphingolipid metabolism. Special emphasis is put on neutral sphingolipids and cholesterol and their interaction. Such an interest is attributed to the fact that those lipids are altered in a series of serious disorders including various sphingolipidoses. High performance thin-layer chromatography (HPTLC) has become a widely used technique for lipid analysis. However, mass spectrometric profiling is irreplaceable for gaining an overview about the various molecular species within a lipid class. In this work we have developed a sensitive method based on a gradient normal phase high performance liquid chromatography (HPLC) coupled to quadrupole time of flight (QTOF) atmospheric pressure chemical ionization mass spectrometry (APCI-MS) in positive mode, which for the first time enables separation, on-line detection, and mass spectrometric profiling of multiple neutral sphingolipids including ceramide, glucosylceramide, lactosylceramide, globotriaosylceramide, globotetraosylceramide, sphingomyelin as well as cholesterol within less than 15min. An important advantage of the presented HPLC/APCI-MS approach is that the separation pattern emulates the one obtained by an optimized HPTLC method with a multiple stage development. Thus, the lipid classes previously separated and quantified by HPTLC can be easily screened regarding their mass spectrometric profiles by HPLC/APCI-MS. In addition, the selected ionization conditions enable in-source fragmentation providing useful structural information. The methods (HPLC/APCI-MS and the optimized HPTLC) were applied for the analysis of the mentioned lipids in human fibroblasts. This approach is aimed basically at investigators who perform studies based on genetic modifications or treatment with pharmacological agents leading to changes in the biochemical pathways of neutral sphingolipids and cholesterol. In addition, it can be of interest for research on disorders related to

  18. Separate evaluation of multiple film-forming species in chemical vapor deposition of SiC using high aspect-ratio microchannels

    NASA Astrophysics Data System (ADS)

    Shima, Kohei; Sato, Noboru; Funato, Yuichi; Fukushima, Yasuyuki; Momose, Takeshi; Shimogaki, Yukihiro

    2017-06-01

    The effect of multiple film-forming species on the film quality during chemical vapor deposition (CVD) of SiC from CH3SiCl3/H2 was examined by separating each species using high aspect-ratio (AR) parallel-plate microchannels. Profiles of the chemical and physical properties of the grown SiC films, including the composition, crystallinity and surface roughness, were characterized along the microchannel depth. The exceptionally high AR, which was typically more than 1{,}000:1, allowed film growth with a variety of film-forming species that significantly changed with depth. We were thus able to examine the effect of each film-forming species on film growth. The exceptionally large depth, which was typically centimeter-scale, allowed depth profile analysis using various kinds of film characterization techniques having large detection areas. For CVD SiC from CH3SiCl3/H2, multiple film-forming species with different sticking probabilities of 8 × 10-7, 1 × 10-4, and 2 × 10-2 provided almost the same film quality.

  19. Impact of Lewis base on chemical reactivity and separation efficiency for hydrated fourth-row transition metal (II) complexes: an ONIOM DFT/MM study.

    PubMed

    He, Dingsheng; Ma, Ming

    2014-04-24

    In this paper, two-layer ONIOM combinations of high-level quantum mechanics (QM) and inexpensive molecular mechanics (MM) are successfully used to investigate the structural characters of metal (M, all the transition metals in the fourth period)-H2O-Lewis base (A(-)) complexes. Global and local descriptors of chemical reactivity and selectivity from conceptual density functional theory are employed to show the properties of the active complexes of M(H2O)2A2 and to study the effect of the Lewis base for the separation of transition metal ions. It is shown that chemical potential, hardness, electrophilicity, as well as the dual and multiphilic descriptors are adequate for characterizing the global and local reactivity trends of the M(H2O)2A2 complex. It is found that the reactivity is well localized at the metallic center in M(H2O)2A2 and the dual descriptor (ΔfM(r)) can also be used to characterize the directional attack of the electrophile and nucleophile except for the selectivity of the reaction. On the basis of the values of ωM and Δsk, and the sign of ΔfM(r), the selectivity of the nucleophilic reagent (R(-)) for M(II) in M(H2O)2A2 (from high to low) follows this order: Cu(II) > Ni(II) > Co(II) > Fe(II) ≫ Mn(II) > Zn(II) > Cr(II). The Lewis base (A(-)) improves chemical reactivity and selectivity because of changing the reaction path and forming an intermediate, which possesses the higher antibonding character and the larger HOMO/LUMO gap. NBO or AIMALL analysis and Frontier orbital theory results presented here provided more theoretical support for the above reactivity and selectivity studies.

  20. Chemical Etching of Bovine Serum Albumin-Protected Au25 Nanoclusters for Label-Free and Separation-Free Ratiometric Fluorescent Detection of Tris(2-carboxyethyl)phosphine.

    PubMed

    Shu, Tong; Wang, Jianxing; Su, Lei; Zhang, Xueji

    2016-11-15

    This study describes a novel ratiometric fluorescent sensor based on chemical etching of gold nanocluster (GNCs) for label-free, separation-free determination of tris(2-carboxyethyl)phosphine (TCEP). TCEP was discovered to exhibit unusual chemical behavior toward fluorescent gold nanoclusters: it quenched the red fluorescent emission of the bovine serum album (BSA)-protected GNCs (GNCs@BSA) and simultaneously restored the blue fluorescent emission of the dityrosine (diTyr) residues of the BSA ligand. The TCEP-induced quenching of the fluorescent GNCs@BSA was investigated with the UV-vis adsorption spectrum, the matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS), inductively coupled plasma-mass spectrometry (ICP-MS) and X-ray photoelectron spectroscopy (XPS), revealing the chemical etching of the gold(0) core of the GNCs@BSA by TCEP. Furthermore, the ratio of the blue fluorescence intensity of the diTyr to the red fluorescence intensity of the GNCs@BSA was found to be dependent on TCEP concentration and showed a linear relationship in the TCEP concentration range of 500 nM to 50, 000 nM (R(2) = 0.9943) with a limit of detection (LOD) of 130 nM, achieving the higher sensitivity over previous reports. This ratiometric sensor also showed superior selectivity for TCEP over certain common interferences including glutathione, 20 kinds of natural amino acids, and the oxidized form of TCEP. With the developed ratiometric method, the deproteinized human serum samples spiked with TCEP were analyzed with satisfactory results. In addition, it is worth noting that compared with conventional ratiometric fluorescent sensors, the ratiometric sensor developed in this study does not require external fluorophores, avoiding the additional derivation procedures.

  1. How Fast Is Fast?

    ERIC Educational Resources Information Center

    Korn, Abe

    1994-01-01

    Presents an activity that enables students to answer for themselves the question of how fast a body must travel before the nonrelativistic expression must be replaced with the correct relativistic expression by deciding on the accuracy required in describing the kinetic energy of a body. (ZWH)

  2. Fast determination of 3-ethenylpyridine as a marker of environmental tobacco smoke at trace level using direct atmospheric pressure chemical ionization tandem mass spectrometry

    NASA Astrophysics Data System (ADS)

    Jiang, Cheng-Yong; Sun, Shi-Hao; Zhang, Qi-Dong; Liu, Jun-Hui; Zhang, Jian-Xun; Zong, Yong-Li; Xie, Jian-Ping

    2013-03-01

    A method with atmospheric pressure chemical ionization tandem mass spectrometry (APCI-MS/MS) was developed and applied to direct analysis of Environmental Tobacco Smoke (ETS), using 3-ethenylpyridine (3-EP) as a vapour-phase marker. In this study, the ion source of APCI-MS/MS was modified and direct analysis of gas sample was achieved by the modified instrument. ETS samples were directly introduced, via an atmospheric pressure inlet, into the APCI source. Ionization was carried out in positive-ion APCI mode and 3-EP was identified by both full scan mode and daughter scan mode. Quantification of 3-EP was performed by multiple reaction monitoring (MRM) mode. The calibration curve was obtained in the range of 1-250 ng L-1 with a satisfactory regression coefficient of 0.999. The limit of detection (LOD) and the limit of quantification (LOQ) were 0.5 ng L-1 and 1.6 ng L-1, respectively. The precision of the method, calculated as relative standard deviation (RSD), was characterized by repeatability (RSD 3.92%) and reproducibility (RSD 4.81%), respectively. In real-world ETS samples analysis, compared with the conventional GC-MS method, the direct APCI-MS/MS has shown better reliability and practicability in the determination of 3-EP at trace level. The developed method is simple, fast, sensitive and repeatable; furthermore, it could provide an alternative way for the determination of other volatile pollutants in ambient air at low levels.

  3. Direct determination of arsenic in soil samples by fast pyrolysis-chemical vapor generation using sodium formate as a reductant followed by nondispersive atomic fluorescence spectrometry

    NASA Astrophysics Data System (ADS)

    Duan, Xuchuan; Zhang, Jingya; Bu, Fanlong

    2015-09-01

    This new study shows for the first time that sodium formate can react with trace arsenic to form volatile species via fast pyrolysis - chemical vapor generation. We found that the presence of thiourea greatly enhanced the generation efficiency and eliminated the interference of copper. We studied the reaction temperature, the volume of sodium formate, the reaction acidity, and the carried argon rate using nondispersive atomic fluorescence spectrometry. Under optimal conditions of T = 500 °C, the volumes of 30% sodium formate and 10% thiourea were 0.2 ml and 0.05 ml, respectively. The carrier argon rate was 300 ml min- 1 and the detection limit and precision of arsenic were 0.39 ng and 3.25%, respectively. The amount of arsenic in soil can be directly determined by adding trace amount of hydrochloric acid as a decomposition reagent without any sample pretreatment. The method was successfully applied to determine trace amount of arsenic in two soil-certified reference materials (GBW07453 and GBW07450), and the results were found to be in agreement with certified reference values.

  4. Comparison of clinical semi-quantitative assessment of muscle fat infiltration with quantitative assessment using chemical shift-based water/fat separation in MR studies of the calf of post-menopausal women

    PubMed Central

    Nardo, Lorenzo; Karampinos, Dimitrios C.; Joseph, Gabby B.; Yap, Samuel P.; Baum, Thomas; Krug, Roland; Majumdar, Sharmila; Link, Thomas M.

    2013-01-01

    Objective The goal of this study was to compare the semi-quantitative Goutallier classification for fat infiltration with quantitative fat-fraction derived from a magnetic resonance imaging (MRI) chemical shift-based water/fat separation technique. Methods Sixty-two women (age 61±6 years), 27 of whom had diabetes, underwent MRI of the calf using a T1-weighted fast spin-echo sequence and a six-echo spoiled gradient-echo sequence at 3 T. Water/fat images and fat fraction maps were reconstructed using the IDEAL algorithm with T2* correction and a multi-peak model for the fat spectrum. Two radiologists scored fat infiltration on the T1-weighted images using the Goutallier classification in six muscle compartments. Spearman correlations between the Goutallier grades and the fat fraction were calculated; in addition, intra-observer and inter-observer agreement were calculated. Results A significant correlation between the clinical grading and the fat fraction values was found for all muscle compartments (P<0.0001, R values ranging from 0.79 to 0.88). Goutallier grades 0–4 had a fat fraction ranging from 3.5 to 19%. Intra-observer and inter-observer agreement values of 0.83 and 0.81 were calculated for the semi-quantitative grading. Conclusion Semi-quantitative grading of intramuscular fat and quantitative fat fraction were significantly correlated and both techniques had excellent reproducibility. However, the clinical grading was found to overestimate muscle fat. PMID:22411305

  5. Separation and isolation of human apolipoproteins C-II, C-III0, C-III1, and C-III2 by chromatofocusing on the Fast Protein Liquid Chromatography system.

    PubMed

    Huff, M W; Strong, W L

    1987-09-01

    Chromatofocusing, which separates proteins based on differences in isoelectric point, has been used on the Fast Protein Liquid Chromatography (FPLC) system (Pharmacia) to separate the C apolipoproteins from human very low density lipoproteins (VLDL). Using a Mono P column (Pharmacia), a pH gradient between pH 6.2 and pH 4.0 was generated using buffers containing 6 M urea, at a flow rate of 0.5 ml/min. Typically, runs took approximately 45 min. Chromatofocusing of delipidated whole VLDL produced sharp, well-resolved peaks for the C apolipoproteins. However, as determined by analytical isoelectric focusing (IEF), the apolipoprotein E isoforms were not separated from apoC-II, and they contaminated the other apoC species to a variable extent. In addition, apoC-II was not resolved from apoC-III0. Preliminary precipitation of VLDL with acetone prior to delipidation removed both apolipoproteins E and B. Using a start buffer of 25 mM histidine, pH 6.2, and a 1:30 dilution of the polybuffer exchanger (eluting buffer), apoC-II, C-III0, C-III1, and C-III2 were well resolved in run-times of approximately 60 min. The C apoproteins proved to be pure by analytical IEF and immunoassay with monospecific antisera against apoC-II and C-III. Recovery was over 90% of the protein chromatographed. In addition, a variant of apoC-II present in VLDL of a hypertriglyceridemic subject was clearly resolved from the other C apolipoproteins. This technique is superior to conventional methodology in terms of its time saving and high resolution. The application of this technique to the study of C apolipoprotein variants and C apolipoprotein specific radioactivity determinations is possible.

  6. Fate of 17β-Estradiol as a model estrogen in source separated urine during integrated chemical P recovery and treatment using partial nitritation-anammox process.

    PubMed

    Huang, Pei; Mukherji, Sachiyo T; Wu, Sha; Muller, James; Goel, Ramesh

    2016-10-15

    Recently, research on source separation followed by the treatment of urine and/or resource recovery from human urine has shown promise as an emerging management strategy. Despite contributing only 1% of the total volume of wastewater, human urine contributes about 80% of the nitrogen, 70% of the potassium, and up to 50% of the total phosphorus in wastewater. It is also a known fact that many of the micropollutants, especially selected estrogens, get into municipal wastewater through urine excretion. In this research, we investigated the fate of 17β-estradiol (E2) as a model estrogen during struvite precipitation from synthetic urine followed by the treatment of urine using a partial nitritation-anammox (PN/A) system. Single-stage and two-stage suspended growth PN/A configurations were used to remove the nitrogen in urine after struvite precipitation. The results showed an almost 95% phosphorous and 5% nitrogen recovery/removal from the synthetic urine due to struvite precipitation. The single and two stage PN/A processes were able to remove around 50% and 75% of ammonia and nitrogen present in the post struvite urine solution, respectively. After struvite precipitation, more than 95% of the E2 remained in solution and the transformation of E2 to E1 happened during urine storage. Most of the E2 removal that occurred during the PN/A process was due to sorption on the biomass and biodegradation (transformation of E2 to E1, and slow degradation of E1 to other metabolites). These results demonstrate that a combination of chemical and biological unit processes will be needed to recover and manage nutrients in source separated urine. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. Where clinical chemistry meets medicinal chemistry. Systematic analysis of physico-chemical properties predicts stability of common used drugs in gel separator serum tubes.

    PubMed

    Steuer, Christian; Huber, Andreas R; Bernasconi, Luca

    2016-11-01

    As LC-MS/MS techniques are becoming more accessible even outside of highly specialized clinical laboratories, pre-analytical issues such as drug stability during specimen storage should be critically evaluated before implementing therapeutic drug monitoring. Our study investigated the influence of physico-chemical properties of different drugs in regard to their interaction with gel separators used in commercial available collection tubes. Drug spiked blood samples were analyzed after storage in different commercial gel- and non-gel based serum tubes. LC-ESI-MS/MS based methods were used to determine drug concentration in serum samples. Lipophilic compounds, defined by logP>3 and a compatibility factor>20 are prone to be efficiently and rapidly absorbed by lipophilic gel barriers inducing a significant in-vitro decrease of drug concentration over a short storage time. Our data show a relevant drop of concentration of posaconazole, sertraline and citalopram when stored in gel based tubes. Molecular descriptors such as logP, polar surface area and protein binding seem to be good predictive markers to identify gel interacting drugs. For ease of handling and minimization of blood drawing times, we assume that tubes containing separator gel can be used for therapeutic drug monitoring of high hydrophilic drugs. In contrast lipophilic compounds showing logP higher than 3 and/or CF>20 should be critically considered and validated by extensive stability studies. logP, partition coefficient; PSA, polar surface area; TDM, therapeutic drug monitoring; ACN, acetonitrile; MeOH, methanol; IVD, in-vitro diagnostic; CF, compatibility factor. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Metallography and fuel cladding chemical interaction in fast flux test facility irradiated metallic U-10Zr MFF-3 and MFF-5 fuel pins

    SciTech Connect

    Carmack, W. J.; Chichester, H. M.; Porter, D. L.; Wootan, D. W.

    2016-05-01

    Abstract The Mechanistic Fuel Failure (MFF) series of metal fuel irradiations conducted in the Fast Flux Test Facility (FFTF) provides an important potential comparison between data generated in the Experimental Breeder Reactor (EBR-II) and that expected in a larger-scale fast reactor. The irradiations were the beginning tests to qualify U-10wt%Zr as a driver fuel for FFTF. The FFTF core, with a 91.4 cm tall fuel column and a chopped cosine neutron flux profile, operated with a peak cladding temperature at the top of the fuel column, but developed peak burnup at the centerline of the core. This places the peak fuel temperature midway between the core center and the top of fuel, lower in the fuel column than in previous EBR-II experiments that had a 32-cm height core. The MFF-3 and MFF-5 qualification assemblies operated in FFTF to >10 at% burnup, and performed very well with no cladding breaches. The MFF-3 assembly operated to 13.8 at% burnup with a peak inner cladding temperature of 643°C, and the MFF-5 assembly operated to 10.1 at% burnup with a peak inner cladding temperature of 651°C. Because of the very high operating temperatures for both the fuel and the cladding, data from the MFF assemblies are most comparable to the data obtained from the EBR-II X447 experiment, which experienced two pin breaches. The X447 breaches were strongly influenced by a large amount of fuel/cladding chemical interaction (FCCI). The MFF pins benefitted from different axial locations of high burnup and peak cladding temperature, which helped to reduce interdiffusion between rare earth fission products and stainless steel cladding. Post-irradiation examination evidence illustrates this advantage. Comparing other performance data of the long MFF pins to prior EBR-II test data, the MFF fuel inside the cladding grew less axially, and the gas release data did not reveal a definitive difference.

  9. Laser diode thermal desorption atmospheric pressure chemical ionization tandem mass spectrometry applied for the ultra-fast quantitative analysis of BKM120 in human plasma.

    PubMed

    Lanshoeft, Christian; Heudi, Olivier; Leuthold, Luc Alexis; Schlotterbeck, Götz; Elbast, Walid; Picard, Franck; Kretz, Olivier

    2014-09-01

    A sensitive and ultra-fast method utilizing the laser diode thermal desorption ion source using atmospheric pressure chemical ionization coupled to tandem mass spectrometry (LDTD-APCI-MS/MS) was developed for the quantitative analysis of BKM120, an investigational anticancer drug in human plasma. Samples originating from protein precipitation (PP) followed by salting-out assisted liquid-liquid extraction (SALLE) were spotted onto the LazWell™ plate prior to their thermal desorption and detection by tandem mass spectrometry in positive mode. The validated method described in this paper presents a high absolute extraction recovery (>90 %) for BKM120 and its internal standard (ISTD) [D8]BKM120, with precision and accuracy meeting the acceptance criteria. Standard curves were linear over the range of 5.00 to 2000 ng mL(-1) with a coefficient of determination (R (2)) >0.995. The method specificity was demonstrated in six different batches of human plasma. Intra- and inter-run precision as well as accuracy within ±20 % at the lower limit of quantification (LLOQ) and ±15 % (other levels) were achieved during a three-run validation for quality control (QC) samples. The post-preparative stability on the LazWell™ plate at room temperature was 72 h and a 200-fold dilution of spiked samples was demonstrated. The method was applied successfully to three clinical studies (n = 847) and cross-checked with the validated LC-ESI-MS/MS reference method. The sample analysis run time was 10 s as compared to 4.5 min for the current validated LC-ESI-MS/MS method. The resultant data were in agreement with the results obtained using the validated reference LC-ESI-MS/MS assay and the same pharmacokinetic (PK) parameters were calculated for both analytical assays. This work demonstrates that LDTD-APCI-MS/MS is a reliable method for the ultra-fast quantitative analysis of BKM120 which can be used to speed-up and support its bioanalysis in the frame of the clinical trials.

  10. Metallography and fuel cladding chemical interaction in fast flux test facility irradiated metallic U-10Zr MFF-3 and MFF-5 fuel pins

    DOE PAGES

    Carmack, W. Jon; Chichester, Heather M.; Porter, Douglas L.; ...

    2016-02-27

    The Mechanistic Fuel Failure (MFF) series of metal fuel irradiations conducted in the Fast Flux Test Facility (FFTF) provides an important potential comparison between data generated in the Experimental Breeder Reactor (EBR-II) and that expected in a larger-scale fast reactor. The irradiations were the beginning tests to qualify U-10wt%Zr as a driver fuel for FFTF. The FFTF core, with a 91.4 cm tall fuel column and a chopped cosine neutron flux profile, operated with a peak cladding temperature at the top of the fuel column, but developed peak burnup at the centerline of the core. This then places the peakmore » fuel temperature midway between the core center and the top of fuel, lower in the fuel column than in previous EBR-II experiments that had a 32-cm height core. The MFF-3 and MFF-5 qualification assemblies operated in FFTF to >10 at% burnup, and performed very well with no cladding breaches. The MFF-3 assembly operated to 13.8 at% burnup with a peak inner cladding temperature of 643°C, and the MFF-5 assembly operated to 10.1 at% burnup with a peak inner cladding temperature of 651°C. Because of the very high operating temperatures for both the fuel and the cladding, data from the MFF assemblies are most comparable to the data obtained from the EBR-II X447 experiment, which experienced two pin breaches. The X447 breaches were strongly influenced by a large amount of fuel/cladding chemical interaction (FCCI). The MFF pins benefitted from different axial locations of high burnup and peak cladding temperature, which helped to reduce interdiffusion between rare earth fission products and stainless steel cladding. Post-irradiation examination evidence illustrates this advantage. After comparing other performance data of the long MFF pins to prior EBR-II test data, the MFF fuel inside the cladding grew less axially, and the gas release data did not reveal a definitive difference.« less

  11. Metallography and fuel cladding chemical interaction in fast flux test facility irradiated metallic U-10Zr MFF-3 and MFF-5 fuel pins

    SciTech Connect

    Carmack, W. Jon; Chichester, Heather M.; Porter, Douglas L.; Wootan, David W.

    2016-02-27

    The Mechanistic Fuel Failure (MFF) series of metal fuel irradiations conducted in the Fast Flux Test Facility (FFTF) provides an important potential comparison between data generated in the Experimental Breeder Reactor (EBR-II) and that expected in a larger-scale fast reactor. The irradiations were the beginning tests to qualify U-10wt%Zr as a driver fuel for FFTF. The FFTF core, with a 91.4 cm tall fuel column and a chopped cosine neutron flux profile, operated with a peak cladding temperature at the top of the fuel column, but developed peak burnup at the centerline of the core. This then places the peak fuel temperature midway between the core center and the top of fuel, lower in the fuel column than in previous EBR-II experiments that had a 32-cm height core. The MFF-3 and MFF-5 qualification assemblies operated in FFTF to >10 at% burnup, and performed very well with no cladding breaches. The MFF-3 assembly operated to 13.8 at% burnup with a peak inner cladding temperature of 643°C, and the MFF-5 assembly operated to 10.1 at% burnup with a peak inner cladding temperature of 651°C. Because of the very high operating temperatures for both the fuel and the cladding, data from the MFF assemblies are most comparable to the data obtained from the EBR-II X447 experiment, which experienced two pin breaches. The X447 breaches were strongly influenced by a large amount of fuel/cladding chemical interaction (FCCI). The MFF pins benefitted from different axial locations of high burnup and peak cladding temperature, which helped to reduce interdiffusion between rare earth fission products and stainless steel cladding. Post-irradiation examination evidence illustrates this advantage. After comparing other performance data of the long MFF pins to prior EBR-II test data, the MFF fuel inside the cladding grew less axially, and the gas release data did not reveal a definitive difference.

  12. Separation of chemical constituents from three plant medicines by counter-current chromatography using a three-phase solvent system at a novel ratio.

    PubMed

    Wu, Xiaoyi; Chao, Zhimao; Wang, Chun; Yu, Li

    2015-03-06

    A solvent system of n-hexane, methyl acetate, acetonitrile, and water at a novel volume ratio of 4:3:4:4 forms three layers, i.e. upper phase (UP), middle phase (MP), and lower phase (LP), with a volume ratio of 1:1.20:1.42 at room temperature (25°C). All three two-phases from this three-phase solvent system were successfully used to separate some chemical constituents from three plant medicines with counter-current chromatography (CCC). Eight coumarins (B1-B8) were obtained from petroleum ether extract of fresh roots of Angelica dahurica (Baizhi) with a stationary phase of UP and a mobile phase of LP. Six diarylheptanoids (L1-L6) were obtained from petroleum ether extract of dried rhizomes of Alpinia officinarum (Liangjiang) with a stationary phase of UP and a mobile phase of MP. Three chemical constituents (Z1-Z3) were obtained from ethyl acetate extract of fresh rhizomes of Anemarrhena asphodeloides (Zhimu) with a stationary phase of MP and a mobile phase of LP. Preparative HPLC was used for further purification if necessary. Seventeen chemical constituents were identified as oxypeucedanin hydrate (B1), byakangelicin (B2), byakangelicol (B3), bergapten (B4), oxypeucedanin (B5), imperatorin (B6), phellopterin (B7), isoimperatorin (B8), 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone (L1), 7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4E-en-3-heptanone (L2), 5-hydroxy-1,7-diphenyl-3-heptanone (L3), 1,7-diphenyl-4E-en-3-heptanone (L4), 5-hydroxy-1,7-diphenyl-4E,6E-dien-3-heptanone (L5), isomers of 1,7-diphenyl-3,5-heptandione and 5-hydroxy-1,7-diphenyl-4E-en-3-heptanone (L6), mangiferin (Z1), timosaponin A-III (Z2), and 2,6,4'-trihydroxy-4-methoxy-benzophenone (Z3) by means of MS, (1)H and (13)C NMR studies. Five compounds of B3, L3, L5, L6, and Z3 were isolated by CCC for the first time.

  13. Chemical separation and mass spectrometry of Cr, Fe, Ni, Zn, and Cu in terrestrial and extraterrestrial materials using thermal ionization mass spectrometry.

    PubMed

    Yamakawa, Akane; Yamashita, Katsuyuki; Makishima, Akio; Nakamura, Eizo

    2009-12-01

    A sequential chemical separation technique for Cr, Fe, Ni, Zn, and Cu in terrestrial and extraterrestrial silicate rocks was developed for precise and accurate determination of elemental concentration by the isotope dilution method (ID). The technique uses a combination of cation-anion exchange chromatography and Eichrom nickel specific resin. The method was tested using a variety of matrixes including bulk meteorite (Allende), terrestrial peridotite (JP-1), and basalt (JB-1b). Concentrations of each element was determined by thermal ionization mass spectrometry (TIMS) using W filaments and a Si-B-Al type activator for Cr, Fe, Ni, and Zn and a Re filament and silicic acid-H3PO4 activator for Cu. The method can be used to precisely determine the concentrations of these elements in very small silicate samples, including meteorites, geochemical reference samples, and mineral standards for microprobe analysis. Furthermore, the Cr mass spectrometry procedure developed in this study can be extended to determine the isotopic ratios of 53Cr/52Cr and 54Cr/52Cr with precision of approximately 0.05epsilon and approximately 0.10epsilon (1epsilon = 0.01%), respectively, enabling cosmochemical applications such as high precision Mn-Cr chronology and investigation of nucleosynthetic isotopic anomalies in meteorites.

  14. A novel nano-hydroxyapatite - PMMA hybrid scaffolds adopted by conjugated thermal induced phase separation (TIPS) and wet-chemical approach: Analysis of its mechanical and biological properties.

    PubMed

    G, Radha; S, Balakumar; Venkatesan, Balaji; Vellaichamy, Elangovan

    2017-04-01

    In this study, we report the preparation of nano-hydroxyapatite (nHAp) incorporated poly(methyl methacrylate) (PMMA) scaffolds by conjugated thermal induced phase separation (TIPS) and wet-chemical approach, which essentially facilitates the enhancement of both mechanical as well as biological properties of the scaffolds. The dissolution of PMMA was accomplished by acetone (Ace scaffold), ethanol-water (E-W scaffold) and isopropanol-water (I-W scaffold) mixtures as solvents. The existence of nHAp in PMMA matrix was investigated systematically. The porosity of ~57.89% was achieved from Ace scaffold that was higher degree compared to both I-W and E-W scaffolds. On the other hand, the dense porous architecture of I-W scaffold exhibited superior hardness of ~65.6 HR 'D' than that of the Ace and E-W scaffolds. All the fabricated samples demonstrated enhanced in vitro bioactivity with respect to increasing immersion period as a result of flower-like in vitro apatite layer formation. The MTT assay was carried out for 1day and 3day culture using Saos-2 osteoblast-like cells, which showed better cell proliferation with increasing culture period owing to the interconnected pore architecture of scaffolds and the rational hemocompatibility as per the ASTM standard F756-00.

  15. Determination of Os by isotope dilution-inductively coupled plasma-mass spectrometry with the combination of laser ablation to introduce chemically separated geological samples

    NASA Astrophysics Data System (ADS)

    Sun, Yali; Ren, Minghao; Xia, Xiaoping; Li, Congying; Sun, Weidong

    2015-11-01

    A method was developed for the determination of trace Os in geological samples by laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) with the combination of chemical separation and preconcentration. Samples are digested using aqua regia in Carius tubes, and the Os analyte is converted into volatile OsO4, which is distilled and absorbed with HBr. The HBr solution is concentrated for further Os purification using the microdistillation technique. The purified Os is dissolved in 10 μl of 0.02% sucrose-0.005% H3PO4 solution and then evaporated on pieces of perfluoroalkoxy (PFA) film, resulting in the formation of a tiny object (< 3 × 104 μm2 superficial area). Using LA-ICP-MS measurements, the object can give Os signals at least 100 times higher than those provided by routine solution-ICP-MS while successfully avoiding the memory effect. The procedural blank and detection limit in the developed technique are 3.0 pg and 1.8 pg for Os, respectively when 1 g of samples is taken. Reference materials (RM) are analyzed, and their Os concentrations obtained by isotope dilution are comparable to reference or literature values. Based on the individual RM results, the precision is estimated within the range of 0.6 to 9.4% relative standard deviation (RSD), revealing that this method is applicable to the determination of trace Os in geological samples.

  16. Implementing an energetic life cycle analysis to prove the benefits of lignocellulosic feedstocks with protein separation for the chemical industry from the existing bioethanol industry.

    PubMed

    Brehmer, Ben; Sanders, Johan

    2009-02-15

    The biofuel ethanol is currently being produced in large quantities from corn in the US and from wheat in the EU and further capacity expansion is expected. Relying on the so-called 1st generation technology, only the starch contained in the edible portion of the crops (ears/grains) is subjected to fermentation. Following life cycle calculations reveals minute levels of fossil fuel replacement placing doubt on its renewability and an imbalance on the domestic animal feed markets are immerging due to the by-product distiller grains. Additional utilization of the lignocellulosic and protein components of the by-product through new developments has the potential to alleviate both setbacks. A cradle-to-factory gate analysis was performed on a variety of bioethanol production layouts incorporating the newest technological developments to determine the maximum fossil fuel reduction potential. Expanding to include lignocellulose pretreatment for ethanol production with protein separation for amine-based chemical production can increase the fossil fuel mitigation potential by seven- to ninefold for US-corn and five- to eightfold for EU-wheat bioethanol facilities.

  17. Fast gas chromatographic separation of biodiesel.

    SciTech Connect

    Pauls, R. E.

    2011-05-01

    A high-speed gas chromatographic method has been developed to determine the FAME distribution of B100 biodiesel. The capillary column used in this work has dimensions of 20 m x 0.100 mm and is coated with a polyethylene glycol film. Analysis times are typically on the order of 4-5 min depending upon the composition of the B100. The application of this method to a variety of vegetable and animal derived B100 is demonstrated. Quantitative results obtained with this method were in close agreement with those obtained by a more conventional approach on a 100 m column. The method, coupled with solid-phase extraction, was also found suitable to determine the B100 content of biodiesel-diesel blends.

  18. Task 38 - commercial mercury remediation demonstrations: Thermal retorting and physical separation/chemical leaching. Topical report, December 1, 1994--June 30, 1996

    SciTech Connect

    Charlton, D.S.; Fraley, R.H.; Stepan, D.J.

    1998-12-31

    Results are presented on the demonstration of two commercial technologies for the removal of mercury from soils found at natural gas metering sites. Technologies include a thermal retorting process and a combination of separation, leaching, and electrokinetic separation process.

  19. Mass Separation by Metamaterials

    NASA Astrophysics Data System (ADS)

    Restrepo-Flórez, Juan Manuel; Maldovan, Martin

    2016-02-01

    Being able to manipulate mass flow is critically important in a variety of physical processes in chemical and biomolecular science. For example, separation and catalytic systems, which requires precise control of mass diffusion, are crucial in the manufacturing of chemicals, crystal growth of semiconductors, waste recovery of biological solutes or chemicals, and production of artificial kidneys. Coordinate transformations and metamaterials are powerful methods to achieve precise manipulation of molecular diffusion. Here, we introduce a novel approach to obtain mass separation based on metamaterials that can sort chemical and biomolecular species by cloaking one compound while concentrating the other. A design strategy to realize such metamaterial using homogeneous isotropic materials is proposed. We present a practical case where a mixture of oxygen and nitrogen is manipulated using a metamaterial that cloaks nitrogen and concentrates oxygen. This work lays the foundation for molecular mass separation in biophysical and chemical systems through metamaterial devices.

  20. Mass Separation by Metamaterials

    PubMed Central

    Restrepo-Flórez, Juan Manuel; Maldovan, Martin

    2016-01-01

    Being able to manipulate mass flow is critically important in a variety of physical processes in chemical and biomolecular science. For example, separation and catalytic systems, which requires precise control of mass diffusion, are crucial in the manufacturing of chemicals, crystal growth of semiconductors, waste recovery of biological solutes or chemicals, and production of artificial kidneys. Coordinate transformations and metamaterials are powerful methods to achieve precise manipulation of molecular diffusion. Here, we introduce a novel approach to obtain mass separation based on metamaterials that can sort chemical and biomolecular species by cloaking one compound while concentrating the other. A design strategy to realize such metamaterial using homogeneous isotropic materials is proposed. We present a practical case where a mixture of oxygen and nitrogen is manipulated using a metamaterial that cloaks nitrogen and concentrates oxygen. This work lays the foundation for molecular mass separation in biophysical and chemical systems through metamaterial devices. PMID:26912419

  1. Selective extraction and analysis of catecholamines in rat blood microdialysate by polymeric ionic liquid-diphenylboric acid-packed capillary column and fast separation in high-performance liquid chromatography-electrochemical detector.

    PubMed

    Zhou, Xinguang; Zhu, Anwei; Shi, Guoyue

    2015-08-28

    Concentration of blood catecholamines (CAs) is linked to a host of cardiovascular diseases, including hypertension and stenocardia. The matrix interferences and low concentration require tedious sample pretreatment methods before quantitative analysis by the gold standard method of high-performance liquid chromatography-electrochemical detector (HPLC-ECD). Solid phase extraction (SPE) has been widely used as the pretreatment technique. Here, a facile polymeric ionic liquid (PIL)-diphenylboric acid (DPBA)-packed capillary column was prepared to selectively extract dopamine (DA), noradrenaline (NE) and epinephrine (E) prior to their quantitative analysis by a fast separation in HPLC-ECD method, while microdialysis sampling method was applied to get the analysis sample. Parameters that influenced desorption efficiency, such as pH, salt concentration, acetonitrile content and wash time, were examined and optimized. The proposed method, combining microdialysis sampling technique, SPE and HPLC-ECD system, was successfully applied to detect CAs in rat blood microdialysate with high sensitivity and selectivity in small sample volumes (5-40μl) and a short analysis time (8min), yielding good reproducibility (RSD 6.5-7.7%) and spiked recovery (91-104.4%).

  2. What happens in the pith stays in the pith: tissue-localized defense responses facilitate chemical niche differentiation between two spatially separated herbivores.

    PubMed

    Lee, Gisuk; Joo, Youngsung; Kim, Sang-Gyu; Baldwin, Ian T

    2017-08-14

    Herbivore attack is known to elicit systemic defense responses that spread throughout the host plant and influence the performance of other herbivores. While these plant-mediated indirect competitive interactions are well described, and the co-existence of herbivores from different feeding guilds is common, the mechanisms of co-existence are poorly understood. In both field and glasshouse experiments with a native tobacco, Nicotiana attenuata, we found no evidence of negative interactions when plants were simultaneously attacked by two spatially separated herbivores: a leaf chewer Manduca sexta and a stem borer Trichobaris mucorea. T. mucorea attack elicited jasmonic acid (JA) and jasmonoyl-l-isoleucine bursts in the pith of attacked stems similar to those that occur in leaves when M. sexta attacks N. attenuata leaves. Pith chlorogenic acid (CGA) levels increased 1000-fold to levels 6-fold higher than leaf levels after T. mucorea attack; these increases in pith CGA levels, which did not occur in M. sexta-attacked leaves, required JA signaling. With plants silenced in CGA biosynthesis (irHQT plants), CGA, as well as other caffeic acid conjugates, was demonstrated in both glasshouse and field experiments to function as a direct defense protecting piths against T. mucorea attack, but not against leaf chewers or sucking insects. T. mucorea attack does not systemically activate JA signaling in leaves, while M. sexta leaf-attack transiently induces detectable but minor pith JA levels that are dwarfed by local responses. We conclude that tissue-localized defense responses allow tissue-specialized herbivores to share the same host and occupy different chemical defense niches in the same hostplant. © 2017 The Authors The Plant Journal © 2017 John Wiley & Sons Ltd.

  3. Separated Shoulder

    MedlinePlus

    Separated shoulder Overview By Mayo Clinic Staff A separated shoulder is an injury to the ligaments that hold your collarbone (clavicle) to your shoulder blade. In a mild separated shoulder, the ligaments ...

  4. Computer modelling of the chemical speciation of caesium, uranium(VI) and neptunium(V) in human duodenal fluids under fasting conditions.

    PubMed

    Jones, Paul W; Taylor, David M; Webb, Louise M; Williams, David R

    2002-08-01

    A model simulating the human duodenal contents under physiologically realistic, fasting conditions was developed using the joint expert speciation system (JESS) computer program and database and used to investigate the chemical speciation of caesium, uranium(VI) and neptunium(V). Over the pH range 5.0-9.0, and the concentration range 5 x 10(-15) x 10(-5) mol dm(-3), caesium was predicted to occur predominantly as the absorbable free monovalent cation Cs+ (approximately 95%) with species such as CsHPO4- and CsCl representing the remainder. The presence or absence of sulphate at 2.1 x 10(-3) mol dm(-3) did not influence the predicted speciation. Uranium was predicted to be present entirely as a soluble, highly charged species, both in the absence and in the presence of sulphate. Between pH 5.0 and approximately 6.5 the UO2H2(PO4)2(2-) predominated, above this pH carbonate species, either UO2(CO3)4(6-) or, possibly, UO2(CO3)5(8-). At pH 8.0, and in the presence of sulphate, neptunium(V) was predicted to exist solely as the tetrasulphate species, whilst in the absence of sulphate, an array of negatively charged soluble carbonate species predominated. Studies over the pH range 5.0-9.0 predicted the formation of a spectrum of negatively charged carbonate and phosphate species, approximately 40% of the total neptunium was predicted to be present as the electrically net-neutral species NpO2HCO3 at pH6.0, approximately 20% at pH 7.0, approximately 10% at pH 7.5 and approximately 1% at pH 8.0. The observed speciation patterns of uranium and neptunium did not change over the concentration range 5 x 10(-15) - 5 x 10(-5) mol dm(-3) and no solid species were predicted to occur under the conditions simulated. Whether the predicted electrically net-neutral neptunium species or the uranium pentacarbonate species do actually occur under true physiological conditions remains to be established. The observed speciation patterns for caesium and uranium are consistent with the observed

  5. Chromatographic hydrogen isotope separation

    DOEpatents

    Aldridge, Frederick T.

    1981-01-01

    Intermetallic compounds with the CaCu.sub.5 type of crystal structure, particularly LaNiCo.sub.4 and CaNi.sub.5, exhibit high separation factors and fast equilibrium times and therefore are useful for packing a chromatographic hydrogen isotope separation colum. The addition of an inert metal to dilute the hydride improves performance of the column. A large scale mutli-stage chromatographic separation process run as a secondary process off a hydrogen feedstream from an industrial plant which uses large volumes of hydrogen can produce large quantities of heavy water at an effective cost for use in heavy water reactors.

  6. Chromatographic hydrogen isotope separation

    DOEpatents

    Aldridge, F.T.

    Intermetallic compounds with the CaCu/sub 5/ type of crystal structure, particularly LaNiCo/sub 4/ and CaNi/sub 5/, exhibit high separation factors and fast equilibrium times and therefore are useful for packing a chromatographic hydrogen isotope separation column. The addition of an inert metal to dilute the hydride improves performance of the column. A large scale multi-stage chromatographic separation process run as a secondary process off a hydrogen feedstream from an industrial plant which uses large volumes of hydrogen cn produce large quantities of heavy water at an effective cost for use in heavy water reactors.

  7. Comparison of a 13,500-Reaction Near-Explicit Chemical Mechanism With Smog Chamber Data and its Implementation Into a Fast Solver to Study the Ambient Sensitivity of E85 Versus Gasoline Emissions

    NASA Astrophysics Data System (ADS)

    Ginnebaugh, D.; Liang, J.; Jacobson, M. Z.

    2007-12-01

    The study of urban, regional, and global air pollution requires the accurate and fast simulation of atmospheric chemistry, particularly for determining the composition of gases that condense to particulate matter. To date, atmospheric models that have solved chemistry in 3-D have been constrained by computer time, requiring chemical mechanisms used within them to be condensed. When chemicals are grouped within the mechanism, though, individual characteristics and accuracy are often lost. Here, the near-explicit Master Chemical Mechanism (MCM, version 3.1, LEEDS University) is implemented into the SMVGEAR II chemical ordinary differential solver to provide the speed necessary to simulate explicit chemistry in three dimensions. The MCM has over 13,500 organic reactions and 4,600 species. SMVGEAR II is a sparse-matrix vectorized Gear solver that reduces the computation time significantly while maintaining any specified accuracy. The near-explicit mechanism allows species to maintain their individual characteristics and improves the modeling of organic and inorganic chemicals in the atmosphere. This is important for simulating the gas-to-particle conversion of explicit chemicals. The model is used to compare the MCM treatment of alkene and aromatic chemistry with smog chamber data and another chemical mechanism. A test case for the air-pollution impacts of the tailpipe emissions from E85 is also performed. Potential impacts of ethanol are increasingly relevant today because of the increased use of ethanol in transportation fuels. The air pollution impacts of all fuels should be investigated before they are used widely.

  8. Chemical microsensors

    SciTech Connect

    Li, DeQuan; Swanson, Basil I.

    1995-01-01

    An article of manufacture is provided including a substrate having an oxide surface layer and a selective thin film of a cyclodextrin derivative chemically bound upon said substrate, said film is adapted for the inclusion of a selected organic compound therewith. Such an article can be either a chemical sensor capable of detecting a resultant mass change from inclusion of the selected organic compound or a chemical separator capable of reversibly selectively separating a selected organic compound.

  9. Plasma separation: physical separation at the molecular level

    NASA Astrophysics Data System (ADS)

    Gueroult, Renaud; Rax, Jean-Marcel; Fisch, Nathaniel J.

    2016-09-01

    Separation techniques are usually divided in two categories depending on the nature of the discriminating property: chemical or physical. Further to this difference, physical and chemical techniques differ in that chemical separation typically occurs at the molecular level, while physical separation techniques commonly operate at the macroscopic scale. Separation based on physical properties can in principle be realized at the molecular or even atomic scale by ionizing the mixture. This is in essence plasma based separation. Due to this fundamental difference, plasma based separation stands out from other separation techniques, and features unique properties. In particular, plasma separation allows separating different elements or chemical compounds based on physical properties. This could prove extremely valuable to separate macroscopically homogeneous mixtures made of substances of similar chemical formulation. Yet, the realization of plasma separation techniques' full potential requires identifying and controlling basic mechanisms in complex plasmas which exhibit suitable separation properties. In this paper, we uncover the potential of plasma separation for various applications, and identify the key physics mechanisms upon which hinges the development of these techniques.

  10. A Synergistic Combination of Advanced Separation and Chemical Scale Inhibitor Technologies for Efficient Use of Imparied Water As Cooling Water in Coal-based Power Plants

    SciTech Connect

    Jasbir Gill

    2010-08-30

    Nalco Company is partnering with Argonne National Laboratory (ANL) in this project to jointly develop advanced scale control technologies that will provide cost-effective solutions for coal-based power plants to operate recirculating cooling water systems at high cycles using impaired waters. The overall approach is to use combinations of novel membrane separations and scale inhibitor technologies that will work synergistically, with membrane separations reducing the scaling potential of the cooling water and scale inhibitors extending the safe operating range of the cooling water system. The project started on March 31, 2006 and ended in August 30, 2010. The project was a multiyear, multi-phase project with laboratory research and development as well as a small pilot-scale field demonstration. In Phase 1 (Technical Targets and Proof of Concept), the objectives were to establish quantitative technical targets and develop calcite and silica scale inhibitor chemistries for high stress conditions. Additional Phase I work included bench-scale testing to determine the feasibility of two membrane separation technologies (electrodialysis ED and electrode-ionization EDI) for scale minimization. In Phase 2 (Technology Development and Integration), the objectives were to develop additional novel scale inhibitor chemistries, develop selected separation processes, and optimize the integration of the technology components at the laboratory scale. Phase 3 (Technology Validation) validated the integrated system's performance with a pilot-scale demonstration. During Phase 1, Initial evaluations of impaired water characteristics focused on produced waters and reclaimed municipal wastewater effluents. Literature and new data were collected and evaluated. Characteristics of produced waters vary significantly from one site to another, whereas reclaimed municipal wastewater effluents have relatively more uniform characteristics. Assessment to date confirmed that calcite and silica

  11. Ultracapacitor separator

    DOEpatents

    Wei, Chang; Jerabek, Elihu Calvin; LeBlanc, Jr., Oliver Harris

    2001-03-06

    An ultracapacitor includes two solid, nonporous current collectors, two porous electrodes separating the collectors, a porous separator between the electrodes and an electrolyte occupying the pores in the electrodes and separator. The electrolyte is a polar aprotic organic solvent and a salt. The porous separator comprises a wet laid cellulosic material.

  12. Response measurement of single-crystal chemical vapor deposition diamond radiation detector for intense X-rays aiming at neutron bang-time and neutron burn-history measurement on an inertial confinement fusion with fast ignition.

    PubMed

    Shimaoka, T; Kaneko, J H; Arikawa, Y; Isobe, M; Sato, Y; Tsubota, M; Nagai, T; Kojima, S; Abe, Y; Sakata, S; Fujioka, S; Nakai, M; Shiraga, H; Azechi, H; Chayahara, A; Umezawa, H; Shikata, S

    2015-05-01

    A neutron bang time and burn history monitor in inertial confinement fusion with fast ignition are necessary for plasma diagnostics. In the FIREX project, however, no detector attained those capabilities because high-intensity X-rays accompanied fast electrons used for plasma heating. To solve this problem, single-crystal CVD diamond was grown and fabricated into a radiation detector. The detector, which had excellent charge transportation property, was tested to obtain a response function for intense X-rays. The applicability for neutron bang time and burn history monitor was verified experimentally. Charge collection efficiency of 99.5% ± 0.8% and 97.1% ± 1.4% for holes and electrons were obtained using 5.486 MeV alpha particles. The drift velocity at electric field which saturates charge collection efficiency was 1.1 ± 0.4 × 10(7) cm/s and 1.0 ± 0.3 × 10(7) cm/s for holes and electrons. Fast response of several ns pulse width for intense X-ray was obtained at the GEKKO XII experiment, which is sufficiently fast for ToF measurements to obtain a neutron signal separately from X-rays. Based on these results, we confirmed that the single-crystal CVD diamond detector obtained neutron signal with good S/N under ion temperature 0.5-1 keV and neutron yield of more than 10(9) neutrons/shot.

  13. Response measurement of single-crystal chemical vapor deposition diamond radiation detector for intense X-rays aiming at neutron bang-time and neutron burn-history measurement on an inertial confinement fusion with fast ignition

    SciTech Connect

    Shimaoka, T. Kaneko, J. H.; Tsubota, M.; Arikawa, Y.; Nagai, T.; Kojima, S.; Abe, Y.; Sakata, S.; Fujioka, S.; Nakai, M.; Shiraga, H.; Azechi, H.; Isobe, M.; Sato, Y.; Chayahara, A.; Umezawa, H.; Shikata, S.

    2015-05-15

    A neutron bang time and burn history monitor in inertial confinement fusion with fast ignition are necessary for plasma diagnostics. In the FIREX project, however, no detector attained those capabilities because high-intensity X-rays accompanied fast electrons used for plasma heating. To solve this problem, single-crystal CVD diamond was grown and fabricated into a radiation detector. The detector, which had excellent charge transportation property, was tested to obtain a response function for intense X-rays. The applicability for neutron bang time and burn history monitor was verified experimentally. Charge collection efficiency of 99.5% ± 0.8% and 97.1% ± 1.4% for holes and electrons were obtained using 5.486 MeV alpha particles. The drift velocity at electric field which saturates charge collection efficiency was 1.1 ± 0.4 × 10{sup 7} cm/s and 1.0 ± 0.3 × 10{sup 7} cm/s for holes and electrons. Fast response of several ns pulse width for intense X-ray was obtained at the GEKKO XII experiment, which is sufficiently fast for ToF measurements to obtain a neutron signal separately from X-rays. Based on these results, we confirmed that the single-crystal CVD diamond detector obtained neutron signal with good S/N under ion temperature 0.5–1 keV and neutron yield of more than 10{sup 9} neutrons/shot.

  14. Porous multi-component material for the capture and separation of species of interest

    DOEpatents

    Addleman, Raymond S.; Chouyyok, Wilaiwan; Li, Xiaohong S.; Cinson, Anthony D.; Gerasimenko, Aleksandr A

    2016-06-21

    A method and porous multi-component material for the capture, separation or chemical reaction of a species of interest is disclosed. The porous multi-component material includes a substrate and a composite thin film. The composite thin film is formed by combining a porous polymer with a nanostructured material. The nanostructured material may include a surface chemistry for the capture of chemicals or particles. The composite thin film is coupled to the support or device surface. The method and material provides a simple, fast, and chemically and physically benign way to integrate nanostructured materials into devices while preserving their chemical activity.

  15. Fast Reactors

    NASA Astrophysics Data System (ADS)

    Esposito, S.; Pisanti, O.

    The following sections are included: * Elementary Considerations * The Integral Equation to the Neutron Distribution * The Critical Size for a Fast Reactor * Supercritical Reactors * Problems and Exercises

  16. MR chemical exchange imaging with spin-lock technique (CESL): a theoretical analysis of the Z-spectrum using a two-pool R(1ρ) relaxation model beyond the fast-exchange limit.

    PubMed

    Yuan, Jing; Zhou, Jinyuan; Ahuja, Anil T; Wang, Yi-Xiang J

    2012-12-21

    The chemical exchange (CE) process has been exploited as a novel and powerful contrast mechanism for MRI, which is primarily performed in the form of chemical exchange saturation transfer (CEST) imaging. A spin-lock (SL) technique can also be used for CE studies, although traditionally performed and interpreted quite differently from CEST. Chemical exchange imaging with spin-lock technique (CESL), theoretically based on the Bloch-McConnell equations common to CEST, has the potential to be used as an alternative to CEST and to better characterize CE processes from slow and intermediate to fast proton exchange rates through the tuning of spin-lock pulse parameters. In this study, the Z-spectrum and asymmetric magnetization transfer ratio (MTR(asym)) obtained by CESL are theoretically analyzed and numerically simulated using a general two-pool R(1ρ) relaxation model beyond the fast-exchange limit. The influences of spin-lock parameters, static magnetic field strength B(0) and physiological properties on the Z-spectrum and MTR(asym) are quantitatively revealed. Optimization of spin-lock frequency and spin-lock duration for the maximum CESL contrast enhancement is also investigated. Numerical simulation results in this study are compatible with the findings in the existing literature on CE imaging studies.

  17. MR chemical exchange imaging with spin-lock technique (CESL): a theoretical analysis of the Z-spectrum using a two-pool R1ρ relaxation model beyond the fast-exchange limit

    NASA Astrophysics Data System (ADS)

    Yuan, Jing; Zhou, Jinyuan; Ahuja, Anil T.; Wang, Yi-Xiang J.

    2012-12-01

    The chemical exchange (CE) process has been exploited as a novel and powerful contrast mechanism for MRI, which is primarily performed in the form of chemical exchange saturation transfer (CEST) imaging. A spin-lock (SL) technique can also be used for CE studies, although traditionally performed and interpreted quite differently from CEST. Chemical exchange imaging with spin-lock technique (CESL), theoretically based on the Bloch-McConnell equations common to CEST, has the potential to be used as an alternative to CEST and to better characterize CE processes from slow and intermediate to fast proton exchange rates through the tuning of spin-lock pulse parameters. In this study, the Z-spectrum and asymmetric magnetization transfer ratio (MTRasym) obtained by CESL are theoretically analyzed and numerically simulated using a general two-pool R1ρ relaxation model beyond the fast-exchange limit. The influences of spin-lock parameters, static magnetic field strength B0 and physiological properties on the Z-spectrum and MTRasym are quantitatively revealed. Optimization of spin-lock frequency and spin-lock duration for the maximum CESL contrast enhancement is also investigated. Numerical simulation results in this study are compatible with the findings in the existing literature on CE imaging studies.

  18. Simultaneous and selective decarboxylation of L-serine and deamination of L-phenylalanine in an amino acid mixture--a means of separating amino acids for synthesizing biobased chemicals.

    PubMed

    Teng, Yinglai; Scott, Elinor L; Witte-van Dijk, Susan C M; Sanders, Johan P M

    2016-01-25

    Amino acids (AAs) obtained from the hydrolysis of biomass-derived proteins are interesting feedstocks for the chemical industry. They can be prepared from the byproduct of biofuel production and agricultural wastes. They are rich in functionalities needed in petrochemicals, providing the opportunity to save energy, reagents, and process steps. However, their separation is required before they can be applied for further applications. Electrodialysis (ED) is a promising separation method, but its efficiency needs to be improved when separating AAs with similar isoelectric points. Thus, specific conversions are required to form product with different charges. Here we studied the enzymatic conversions which can be used as a means to aid the ED separation of neutral AAs. A model mixture containing L-serine, L-phenylalanine and L-methionine was used. The reactions of L-serine decarboxylase and L-phenylalanine ammonia-lyase were employed to specifically convert serine and phenylalanine into ethanolamine and trans-cinnamic acid. At the isoelectric point of methionine (pH 5.74), the charge of ethanolamine and trans-cinnamic acid are +1 and -1, therefore facilitating potential separation into three different streams by electrodialysis. Here the enzyme kinetics, specificity, inhibition and the operational stabilities were studied, showing that both enzymes can be applied simultaneously to aid the ED separation of neutral AAs. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Neptunium separations

    SciTech Connect

    Wild, J.F.

    1983-05-09

    Two procedures for the separation of Np are presented; the first involves separation of /sup 239/Np from irradiated /sup 238/U, and the second involves separation of /sup 237/Np from a solution representing that from a dissolved fuel element.

  20. Teaching Separations: Why, What, When, and How?

    ERIC Educational Resources Information Center

    Wankat, Phillip C.

    2001-01-01

    Describes how and when to teach separation science to chemical engineering students. Separation science is important for industrial businesses involving the manufacture of adsorption systems, distillation columns, extractors, and other separation equipment and techniques. (Contains 13 references.) (YDS)

  1. Teaching Separations: Why, What, When, and How?

    ERIC Educational Resources Information Center

    Wankat, Phillip C.

    2001-01-01

    Describes how and when to teach separation science to chemical engineering students. Separation science is important for industrial businesses involving the manufacture of adsorption systems, distillation columns, extractors, and other separation equipment and techniques. (Contains 13 references.) (YDS)

  2. Method for separating boron isotopes

    DOEpatents

    Rockwood, Stephen D.

    1978-01-01

    A method of separating boron isotopes .sup.10 B and .sup.11 B by laser-induced selective excitation and photodissociation of BCl.sub.3 molecules containing a particular boron isotope. The photodissociation products react with an appropriate chemical scavenger and the reaction products may readily be separated from undissociated BCl.sub.3, thus effecting the desired separation of the boron isotopes.

  3. Surface chemical studies on selective separation of pyrite and galena in the presence of bacterial cells and metabolic products of Paenibacillus polymyxa.

    PubMed

    Patra, Partha; Natarajan, K A

    2006-06-15

    Selective separation of pyrite and galena from mixture of the two minerals was achieved through interaction with cells and metabolic products from a culture of Paenibacillus polymyxa. Adsorption of cells and metabolic products onto minerals and electrokinetic studies of minerals after interaction with cells and metabolic products were carried out to examine the resulting surface modification on the mineral surfaces. Flocculation and flotation techniques were successfully applied in the selective separation of minerals after bacterial interaction. The effect of varying conditions for production of extracellular polysaccharides and protein provided an insight into the possible mechanism involved in microbially induced flocculation and flotation of pyrite and galena.

  4. Biotin-conjugated N-methylisatoic anhydride: a chemical tool for nucleic acid separation by selective 2'-hydroxyl acylation of RNA.

    PubMed

    Ursuegui, S; Chivot, N; Moutin, S; Burr, A; Fossey, C; Cailly, T; Laayoun, A; Fabis, F; Laurent, A

    2014-06-01

    An isatoic anhydride derivative conjugated to a biotin and a disulfide linker was specifically designed for the separation of nucleic acids. Starting from a DNA-RNA mixture, a selective 2'-hydroxyl acylation of RNAs followed by capture with streptavidin-coated magnetic beads and cleavage of the disulfide led to elution of RNAs.

  5. Chiral Separations

    NASA Astrophysics Data System (ADS)

    Stalcup, A. M.

    2010-07-01

    The main goal of this review is to provide a brief overview of chiral separations to researchers who are versed in the area of analytical separations but unfamiliar with chiral separations. To researchers who are not familiar with this area, there is currently a bewildering array of commercially available chiral columns, chiral derivatizing reagents, and chiral selectors for approaches that span the range of analytical separation platforms (e.g., high-performance liquid chromatography, gas chromatography, supercritical-fluid chromatography, and capillary electrophoresis). This review begins with a brief discussion of chirality before examining the general strategies and commonalities among all of the chiral separation techniques. Rather than exhaustively listing all the chiral selectors and applications, this review highlights significant issues and differences between chiral and achiral separations, providing salient examples from specific classes of chiral selectors where appropriate.

  6. Chemical separation of Nd from geological samples for chronological studies using (146)Sm-(142)Nd and (147)Sm-(143)Nd systematics.

    PubMed

    Kagami, Saya; Yokoyama, Tetsuya

    2016-09-21

    Sm-Nd dating, which involves long-lived (147)Sm-(143)Nd and short-lived (146)Sm-(142)Nd systematics, has been widely used in the field of geosciences. To obtain precise and accurate ages of geological samples, the determination of highly precise Nd isotope ratios with nearly complete removal of Ce and Sm is indispensable to avoid mass spectral interference. In this study, we developed a three-step column chemistry procedure for separating Nd from geological samples that includes cation exchange chromatography for separating major elements from rare earth elements (REEs), oxidative extraction chromatography using Ln Resin coupled with HNO3 + KBrO3 for separating tetravalent Ce from the remaining REEs, and final purification of Nd using Ln Resin. This method enables high recovery of Nd (>91%) with effective separation of Nd from Ce and Sm (Ce/Nd < 1.2 × 10(-5) and Sm/Nd < 5.2 × 10(-6)). In addition, we devised a new method for determining Sm/Nd ratios with the isotope dilution inductively coupled plasma mass spectrometry method using (145)Nd- and (149)Sm-enriched spikes coupled with a group separation of REEs using TRU Resin. Applying the techniques developed in this study, we determined the Sm-Nd whole-rock isochron age of basaltic eucrites, yielding 4577 - 88(+ 55) Ma and 4558 ± 300 Ma for (146)Sm-(142)Nd and (147)Sm-(143)Nd systematics, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Water separator

    NASA Technical Reports Server (NTRS)

    Dunn, W. F.; Austin, I. G. (Inventor)

    1964-01-01

    An apparatus for separating liquids from gases or gaseous fluids is described. Features of the apparatus include: (1) the collection and removal of the moisture in the fluid is not dependent upon, or affected by gravity; (2) all the collected water is cyclically drained from the apparatus irrespective of the attitude of the separator; and (3) a fluid actuator is utilized to remove the collected water from the separator.

  8. Substituted polyacetylene separation membrane

    DOEpatents

    Pinnau, I.; Morisato, Atsushi

    1998-01-13

    A separation membrane is described which is useful for gas separation, particularly separation of C{sub 2+} hydrocarbons from natural gas. The invention encompasses the membrane itself, methods of making it and processes for using it. The membrane comprises a polymer having repeating units of a hydrocarbon-based, disubstituted polyacetylene, having the general formula shown in the accompanying diagram, wherein R{sub 1} is chosen from the group consisting of C{sub 1}-C{sub 4} alkyl and phenyl, and wherein R{sub 2} is chosen from the group consisting of hydrogen and phenyl. In the most preferred embodiment, the membrane comprises poly(4-methyl-2-pentyne) [PMP]. The membrane exhibits good chemical resistance and has super-glassy properties with regard to separating certain large, condensable permeant species from smaller, less-condensable permeant species. The membranes may also be useful in other fluid separations. 4 figs.

  9. Substituted polyacetylene separation membrane

    DOEpatents

    Pinnau, Ingo; Morisato, Atsushi

    1998-01-13

    A separation membrane useful for gas separation, particularly separation of C.sub.2+ hydrocarbons from natural gas. The invention encompasses the membrane itself, methods of making it and processes for using it. The membrane comprises a polymer having repeating units of a hydrocarbon-based, disubstituted polyacetylene, having the general formula: ##STR1## wherein R.sub.1 is chosen from the group consisting of C.sub.1 -C.sub.4 alkyl and phenyl, and wherein R.sub.2 is chosen from the group consisting of hydrogen and phenyl. In the most preferred embodiment, the membrane comprises poly(4-methyl-2-pentyne) ›PMP!. The membrane exhibits good chemical resistance and has super-glassy properties with regard to separating certain large, condensable permeant species from smaller, less-condensable permeant species. The membranes may also be useful in other fluid separations.

  10. Production of a refined biooil derived by fast pyrolysis of chicken manure with chemical and physical characteristics close to those of fossil fuels.

    PubMed

    Monreal, Carlos M; Schnitzer, Morris

    2011-01-01

    The chemical and physical properties of raw biooils prevent their direct use in combustion engines. We processed raw pyrolytic biooil derived from chicken manure to yield a colorless refined biooil with diesel qualities. Chemical characterization of the refined biooil involved elemental and several spectroscopic analyses. The physical measurements employed were viscosity, density and heat of combustion. The elemental composition (% wt/wt) of the refined biooil was 82.7 % C, 15.3 % H, 0.2 % N and 1.8 % O, no S. Its viscosity was 0.006 Pa.s and a heat of combustion of 43 MJ kg(-1). The refined biooil fraction contains n-alkanes, ranging from n-C(14) to n-C(27), alkenes varying from C(10:1) to C(22:1), and long-chain alcohols. The refined biooil makes a good diesel fuel due to its chemical and physical properties.

  11. Chemical Exchange Saturation Transfer (CEST) MR Technique for Liver Imaging at 3.0 Tesla: an Evaluation of Different Offset Number and an After-Meal and Over-Night-Fast Comparison.

    PubMed

    Deng, Min; Chen, Shu-Zhong; Yuan, Jing; Chan, Queenie; Zhou, Jinyuan; Wáng, Yì-Xiáng J

    2016-04-01

    This study seeks to explore whether chemical exchange saturation transfer (CEST) magnetic resonance imaging (MRI) can detect liver composition changes between after-meal and over-night-fast statuses. Fifteen healthy volunteers were scanned on a 3.0-T human MRI scanner in the evening 1.5-2 h after dinner and in the morning after over-night (12-h) fasting. Among them, seven volunteers were scanned twice to assess the scan-rescan reproducibility. Images were acquired at offsets (n = 41, increment = 0.25 ppm) from -5 to 5 ppm using a turbo spin echo (TSE) sequence with a continuous rectangular saturation pulse. Amide proton transfer-weighted (APTw) and GlycoCEST signals were quantified with the asymmetric magnetization transfer ratio (MTRasym) at 3.5 ppm and the total MTRasym integrated from 0.5 to 1.5 ppm from the corrected Z-spectrum, respectively. To explore scan time reduction, CEST images were reconstructed using 31 offsets (with 20% time reduction) and 21 offsets (with 40% time reduction), respectively. For reproducibility, GlycoCEST measurements in 41 offsets showed the smallest scan-rescan mean measurements variability, indicated by the lowest mean difference of -0.049% (95% limits of agreement, -0.209 to 0.111%); for APTw, the smallest mean difference was found to be 0.112% (95% limits of agreement, -0.698 to 0.921%) in 41 offsets. Compared with after-meal, both GlycoCEST measurement and APTw measurement under different offset number decreased after 12-h fasting. However, as the offsets number decreased (41 offsets vs. 31 offsets vs. 21 offsets), GlycoCEST map and APTw map became more heterogeneous and noisier. Our results show that CEST liver imaging at 3.0 T has high sensitivity for fasting.

  12. Topographical and Chemical Imaging of a Phase Separated Polymer Using a Combined Atomic Force Microscopy/Infrared Spectroscopy/Mass Spectrometry Platform

    DOE PAGES

    Tai, Tamin; Karácsony, Orsolya; Bocharova, Vera; ...

    2016-02-18

    This article describes how the use of a hybrid atomic force microscopy/infrared spectroscopy/mass spectrometry imaging platform was demonstrated for the acquisition and correlation of nanoscale sample surface topography and chemical images based on infrared spectroscopy and mass spectrometry.

  13. Topographical and Chemical Imaging of a Phase Separated Polymer Using a Combined Atomic Force Microscopy/Infrared Spectroscopy/Mass Spectrometry Platform

    SciTech Connect

    Tai, Tamin; Karácsony, Orsolya; Bocharova, Vera; Van Berkel, Gary J.; Kertesz, Vilmos

    2016-02-18

    This article describes how the use of a hybrid atomic force microscopy/infrared spectroscopy/mass spectrometry imaging platform was demonstrated for the acquisition and correlation of nanoscale sample surface topography and chemical images based on infrared spectroscopy and mass spectrometry.

  14. [Process monitoring of dissolution of valsartan and hydrochlorothiazide tablets by fiber-chemical sensor assisted by mathematical separation model of linear equations].

    PubMed

    Ding, Hai-Yan; Li, Gai-Ru; Yu, Ying-Ge; Guo, Wei; Zhi, Ling; Li, Xin-Xia

    2014-04-01

    A method for on-line monitoring the dissolution of Valsartan and hydrochlorothiazide tablets assisted by mathematical separation model of linear equations was established. UV spectrums of valsartan and hydrochlorothiazide were overlapping completely at the maximum absorption wavelength respectively. According to the Beer-Lambert principle of absorbance additivity, the absorptivity of Valsartan and hydrochlorothiazide was determined at the maximum absorption wavelength, and the dissolubility of Valsartan and hydrochlorothiazide tablets was detected by fiber-optic dissolution test (FODT) assisted by the mathematical separation model of linear equations and compared with the HPLC method. Results show that two ingredients were real-time determined simultaneously in given medium. There was no significant difference for FODT compared with HPLC (p > 0.05). Due to the dissolution behavior consistency, the preparation process of different batches was stable and with good uniformity. The dissolution curves of valsartan were faster and higher than hydrochlorothiazide. The dissolutions at 30 min of Valsartan and hydrochlorothiazide were concordant with US Pharmacopoeia. It was concluded that fiber-optic dissolution test system assisted by the mathematical separation model of linear equations that can detect the dissolubility of Valsartan and hydrochlorothiazide simultaneously, and get dissolution profiles and overall data, which can directly reflect the dissolution speed at each time. It can provide the basis for establishing standards of the drug. Compared to HPLC method with one-point data, there are obvious advantages to evaluate and analyze quality of sampling drug by FODT.

  15. Solvent systems with n-hexane and/or cyclohexane in countercurrent chromatography--Physico-chemical parameters and their impact on the separation of alkyl hydroxybenzoates.

    PubMed

    Englert, Michael; Vetter, Walter

    2014-05-16

    Countercurrent chromatography (CCC) is an efficient preparative separation technique based on the liquid-liquid distribution of compounds between two phases of a biphasic liquid system. The crucial parameter for the successful application is the selection of the solvent system. Especially for nonpolar analytes the selection options are limited. On the search for a suitable solvent system for the separation of an alkyl hydroxybenzoate homologous series, we noted that the substitution of cyclohexane with n-hexane was accompanied with unexpected differences in partitioning coefficients of the individual analytes. In this study, we investigated the influence of the subsequent substitution of n-hexane with cyclohexane in the n-hexane/cyclohexane/tert-butylmethylether/methanol/water solvent system family. Exact phase compositions and polarity, viscosity and density differences were determined to characterize the different mixtures containing n-hexane and/or cyclohexane. Findings were confirmed by performing CCC separations with different mixtures, which led to baseline resolution for positional isomers when increasing the amount of cyclohexane while the resolution between two pairs of structural isomers decreased. With the new methodology described, structurally similar compounds could be resolved by choosing a certain ratio of n-hexane to cyclohexane.

  16. Electrostatically Enhanced Vortex Separator

    NASA Technical Reports Server (NTRS)

    Collins, Earl R.

    1993-01-01

    Proposed device removes fine particles from high-pressure exhaust gas of chemical reactor. Negatively charged sectors on rotating disks in vortex generator attracts positively charged particles from main stream of exhaust gas. Electrostatic charge enhances particle-separating action of vortex. Gas without particles released to atmosphere.

  17. Effect of the electron decay of metallic fission products on the chemical and phase compositions of an uranium-plutonium fuel irradiated by fast neutrons

    NASA Astrophysics Data System (ADS)

    Bondarenko, G. G.; Bulatov, G. S.; Gedgovd, K. N.; Lyubimov, D. Yu.; Yakushkin, M. M.

    2011-11-01

    After fast-neutron irradiation, uranium-plutonium nitride U0.8Pu0.2N is shown to acquire a complex structure consisting of a solid solution that is based on the nitrides of uranium, plutonium, americium, neptunium, zirconium, yttrium, and lanthanides and contains condensed phases U2N3, CeRu2, BaTe, Ba3N2, CsI, Sr3N2, LaSe, metallic molybdenum, technetium, and U(Ru, Rh, Pd)3 intermetallics. The contents and compositions of these phases are calculated at a temperature of 900 K and a burn-up fraction up to 14% (U + Pu). The change in the composition of the irradiated uranium-plutonium nitride is studied during the electron decay of metallic radionuclides. The kinetics of transformation of U103Ru3, 137CsI, 140Ba3N2, and 241PuN is calculated.

  18. Fast determination of thyroid stimulating hormone in human blood serum without chemical preprocessing by using infrared spectroscopy and least squares support vector machines.

    PubMed

    Mello, Cesar; Marangoni, Antônio; Poppi, Ronei; Noda, Isao

    2011-06-24

    The least squares support vector machines (LS-SVM) was used to model infrared spectral data for TSH hormone secreted by thyroid, which regulates the basal metabolic rate. This model was used for direct estimation of the content of TSH in blood serum samples, and the results were comparable with those obtained with the conventional analytical method based on chemoluminescence methodology. Excellent agreement was observed between the conventional method and the newly developed calibration model based in analysis of spectral data with LS-SVM. The latter has clear advantages, because it is fast and requires no reagent once the measurements were done directly in the serum by using a simple mid-infrared spectrometer in the ATR mode. An important advantage observed in this calibration method based on LS-SVM is the remarkable capacity to avoid overfitting in the model-building step, that is, the developed method is highly robust.

  19. CENTRIFUGAL SEPARATORS

    DOEpatents

    Skarstrom, C.

    1959-03-10

    A centrifugal separator is described for separating gaseous mixtures where the temperature gradients both longitudinally and radially of the centrifuge may be controlled effectively to produce a maximum separation of the process gases flowing through. Tbe invention provides for the balancing of increases and decreases in temperature in various zones of the centrifuge chamber as the result of compression and expansions respectively, of process gases and may be employed effectively both to neutralize harmful temperature gradients and to utilize beneficial temperaturc gradients within the centrifuge.

  20. Chemical physics behind formation of efficient charge-separated state for complexation between PC70BM and designed diporphyrin in solution.

    PubMed

    Ray, Anamika; Banerjee, Shrabanti; Ghosh, Shalini; Bauri, Ajoy K; Bhattacharya, Sumanta

    2016-01-05

    The present work reports supramolecular interaction of [6,6]-phenyl C71 butyric acid methyl ester (PC70BM) with two designed diporphyrin molecules having dithiophene (1) and carbazole (2) spacer in solvent having varying polarity. Studies on complex formation reveal relatively higher binding constant for PC70BM/2 complex in all the solvent studied. Solvent dependence of charge separation and charge recombination processes in PC70BM/diporphyrin non-covalent complexes has been well established in present work. Donor-acceptor geometry and stabilization of the singlet excited state of the diporphyrin during charge recombination are considered to be the possible reasons for this behavior.

  1. Fast valve

    SciTech Connect

    Van Dyke, William J.

    1992-01-01

    A fast valve is disclosed that can close on the order of 7 milliseconds. It is closed by the force of a compressed air spring with the moving parts of the valve designed to be of very light weight and the valve gate being of wedge shaped with O-ring sealed faces to provide sealing contact without metal to metal contact. The combination of the O-ring seal and an air cushion create a soft final movement of the valve closure to prevent the fast air acting valve from having a harsh closing.

  2. Fast valve

    DOEpatents

    Van Dyke, W.J.

    1992-04-07

    A fast valve is disclosed that can close on the order of 7 milliseconds. It is closed by the force of a compressed air spring with the moving parts of the valve designed to be of very light weight and the valve gate being of wedge shaped with O-ring sealed faces to provide sealing contact without metal to metal contact. The combination of the O-ring seal and an air cushion create a soft final movement of the valve closure to prevent the fast air acting valve from having a harsh closing. 4 figs.

  3. Mist separator

    SciTech Connect

    Moran, T.M.

    1984-04-17

    An apparatus for the removal of particulates from a flowing gas stream and a process for its use are provided. A perforated screen separator formed as a plate having parallel rows of perforations formed by pushing alternating strips of the plate material forward and backward from the plane of the plate is used. The perforated screen separator may be used alone or with a fiber bed mist eliminator for increased particulate removal.

  4. Product separator

    DOEpatents

    Welsh, Robert A.; Deurbrouck, Albert W.

    1976-01-20

    A secondary light sensitive photoelectric product separator for use with a primary product separator that concentrates a material so that it is visually distinguishable from adjacent materials. The concentrate separation is accomplished first by feeding the material onto a vibratory inclined surface with a liquid flow, such as a wet concentrating table. Vibrations generally perpendicular to the stream direction of flow cause the concentrate to separate from its mixture according to its color. When the concentrate and its surrounding stream reach the recovery end of the table, a detecting device notes the line of color demarcation and triggers a signal if it differs from a normal condition. If no difference is noted nothing moves on the second separator. However, if a difference is detected in the constant monitoring of the color line's location, a product splitter and recovery unit normally positioned near the color line at the recovery end, moves to a new position. In this manner the selected separated concentrate is recovered at a maximum rate regardless of variations in the flow stream or other conditions present.

  5. Project FAST.

    ERIC Educational Resources Information Center

    Essexville-Hampton Public Schools, MI.

    Described are components of Project FAST (Functional Analysis Systems Training) a nationally validated project to provide more effective educational and support services to learning disordered children and their regular elementary classroom teachers. The program is seen to be based on a series of modules of delivery systems ranging from mainstream…

  6. Fast CRCs

    DTIC Science & Technology

    2009-10-01

    or any other computing topic, please visit our Digital Library at www.computer.org/publications/ dlib . NGUYEN: FAST CRCS 1331 Authorized licensed use... Library at http://doi.ieeecomputersociety.org/10.1109/ TC.2009.83. The notation ðk; l; dÞ denotes a systematic code with k ¼ the total bit length of

  7. [Applications of fast and ultra performance liquid chromatography in the analysis of Chinese herbal medicines].

    PubMed

    Liu, Ying; Zhou, Jianliang; Li, Ping

    2009-09-01

    The analysis of chemical components of Chinese herbal medicines (CHMs) is one of the most critical issues not only for screening and analyzing the bioactive components but also for controlling their quality. However, due to the complexity of the chemical constituents of CHMs, it is difficult to separate them on column within a short time. In the recent, the fast and ultra performance liquid chromatography, including ultra high pressure liquid chromatography, high performance liquid chromatography based on the monolithic columns and high temperature liquid chromatography, are of particular interest because of the high resolution and fast analytical speed provided by these techniques. This overview covers the principle and separation characteristics of these techniques, as well as their applications in Chinese herbal medicines.

  8. Chemical etching of bovine serum albumin-protected Au25 nanoclusters for label-free and separation-free detection of cysteamine.

    PubMed

    Shu, Tong; Su, Lei; Wang, Jianxing; Li, Chenzhong; Zhang, Xueji

    2015-04-15

    This study describes a novel Au nanocluster-based fluorescent sensor for label-free, separation-free and selective detection of cysteamine (CSH). The sensing mechanism is based on CSH etching-induced fluorescence quenching of the bovine serum albumin-protected Au25 nanoclusters (BSAGNCs). A series of characterizations is carried out towards a better understanding of the CSH-induced fluorescence quenching of the BSAGNCs. It is found that CSH can etch the Au25 nanoclusters, exhibiting the potent etching activity. Other thiol-containing compounds such as glutathione and cysteine and other 19 natural amino acids do not interfere with such CSH-induced etching process. The decreases in fluorescence intensity of the BSAGNCs allow sensitive detection of free CSH in the range of 500-10,000nM. The detection limit for CSH is 150nM (S/N=3). The spiked human serum samples can be analyzed with satisfactory results.

  9. Liquid chromatography/atmospheric pressure chemical ionization tandem mass spectrometry enantiomeric separation of dl-threo-methylphenidate, (Ritalin) using a macrocyclic antibiotic as the chiral selector.

    PubMed

    Ramos, L; Bakhtiar, R; Majumdar, T; Hayes, M; Tse, F

    1999-01-01

    Vancomycin, a macrocyclic antibiotic, is an amphoteric glycopeptide produced by Streptomyces orientalis which has proven to be a viable chiral selector for high performance liquid chromatograph (HPLC) (D. W. Armstrong, Y. Tang, S. Chen, Y. Zhou, C. Bagwill and J-R. Chen, Anal. Chem. (1994; 66: 1473). While it is related to other glycopeptide antibiotics, vancomycin has a number of unique structural features, including 18 stereogenic centers, five aromatic rings, and two side chains one of which is a carbohydrate dimer. Therefore, a vancomycin-based stationary phase appears to be multimodal in that it can be utilized in both normal-phase and reversed-phase liquid chromatography. Consequently, the enantiomeric separation may be operative via several mechanisms, including pi-pi complexation, dipole stacking, inclusion, hydrogen bonding, or combinations of these interactions. LC/MS/MS is a powerful tool for quantitative analysis when evaluated on the basis of speed, specificity, reliability and sensitivity. For these reasons, the present paper explored the feasibility of bonded macrocyclic glycopeptide phases for chiral LC/MS/MS quantitative analysis. Methylphenidate was used as a model compound. A rapid chiral bioanalytical method (<7.5 min) for the determination of the enantiomers of methylphenidate was developed. A lower limit of quantification (LLOQ) of 87 pg/mL was attained for the human plasma assay. This is to our knowledge the first example of enantioselective reversed-phase LC/MS/MS for methylphenidate. The chiral column was relatively cost effective and exhibited excellent performance with no separation deterioration observed after approximately 2500 injections. Copyright 1999 John Wiley & Sons, Ltd.

  10. Structural and physico-chemical characterization of hemicelluloses from ultrasound-assisted extractions of partially delignified fast-growing poplar wood through organic solvent and alkaline solutions.

    PubMed

    Yuan, Tong-Qi; Xu, Feng; He, Jing; Sun, Run-Cang

    2010-01-01

    One organic and three alkaline hemicellulosic fractions were isolated by an ultrasound-assisted extraction which partially delignified the fast-growing poplar wood. Successive treatments were conducted with dimethyl sulfoxide under ultrasonic irradiation at 570W, 25 degrees C for 30min, 70% ethanol containing 1% NaOH, 3% NaOH and 6% NaOH at 75 degrees C for 3h, respectively. The four hemicellulosic fractions obtained were comparatively studied by sugar analysis, alkaline nitrobenzene oxidation of bound lignin, GPC, FT-IR, 1D and 2D NMR spectroscopy as well as TGA and DTA. The results showed that the ultrasonic treatment and sequential extractions with three different concentrations of NaOH led to a release of 75.5% of the original hemicelluloses and 96.2% of the lignin. All four purified hemicellulose fractions contained relatively low amounts of associated lignin, ranging between 0.96 and 3.10%. In addition, the hemicellulosic fraction H(4) isolated with 6% NaOH is formed by a linear backbone of four (beta-1-->4)-xylopyranosyl residues and at least one of the xylose residues is monosubstituted at C-2 by a 4-O-methylglucuronic acid, giving a typical ratio of 4-O-methyl glucuronic acid to Xyl of 1 to 4. Copyright 2010 Elsevier Inc. All rights reserved.

  11. Direct High-Precision Measurements of the (87)Sr/(86)Sr Isotope Ratio in Natural Water without Chemical Separation Using Thermal Ionization Mass Spectrometry Equipped with 10(12) Ω Resistors.

    PubMed

    Li, Chao-Feng; Guo, Jing-Hui; Chu, Zhu-Yin; Feng, Lian-Jun; Wang, Xuan-Ce

    2015-07-21

    Thermal ionization mass spectrometry (TIMS) allows excellent precision for determining Sr isotope ratios in natural water samples. Traditionally, a chemical separation procedure using cation exchange resin has been employed to obtain a high purity Sr fraction from natural water, which makes sample preparation time-consuming. In this study, we present a rapid and precise method for the direct determination of the Sr isotope ratio of natural water using TIMS equipped with amplifiers with two 10(12) Ω resistors. To eliminate the (87)Rb isobaric interference, Re ribbons are used as filaments, providing a significant advantage over W ribbons in the inhibition of Rb(+) emission, based on systematically examining a series of NIST SRM987 standard doping with various amounts of Rb using Re and W ribbons. To validate the applicability of our method, twenty-two natural water samples, including different water types (rain, snow, river, lake and drinking water), that show a large range in Sr content variations (2.54-922.8 ppb), were collected and analyzed from North and South China. Analytical results show good precision (0.003-0.005%, 2 RSE) and the method was further validated by comparative analysis of the same water with and without chemical separation. The method is simple and rapid, eliminates sample preparation time, and prevents potential contamination during complicated sample-preparation procedures. Therefore, a high sample throughput inherent to the TIMS can be fully utilized.

  12. Separation, purification, and properties of cytochrome P-450 from uninduced rat liver microsomes for the studies of metabolism of environmental chemicals

    SciTech Connect

    Dialameh, G.H. )

    1988-09-01

    This study reports the authors present results on the development of a procedure for purification of multiple forms of cytochrome P-450 from un-induced rat liver microsomes. These cytochromes are catalytically active when reconstituted with NADPH-cytochrome c reductase and lipid and exhibit substrate specificities. The presence of four distinct forms of cytochrome P-450 in uninduced rat liver microsomes which is the result of this research report, compared with the presence of six forms in induced animals represent the importance of genetic control of these enzymes for the metabolism and detoxification of environmental chemicals. These metabolite patterns are not only different for the various species, but also among different individuals. The molecular basis for this are genetic and environmental factors, which exhibit interesting evolutionary aspects.

  13. Map Separates

    USGS Publications Warehouse

    ,

    2001-01-01

    U.S. Geological Survey (USGS) topographic maps are printed using up to six colors (black, blue, green, red, brown, and purple). To prepare your own maps or artwork based on maps, you can order separate black-and-white film positives or negatives for any color printed on a USGS topographic map, or for one or more of the groups of related features printed in the same color on the map (such as drainage and drainage names from the blue plate.) In this document, examples are shown with appropriate ink color to illustrate the various separates. When purchased, separates are black-and-white film negatives or positives. After you receive a film separate or composite from the USGS, you can crop, enlarge or reduce, and edit to add or remove details to suit your special needs. For example, you can adapt the separates for making regional and local planning maps or for doing many kinds of studies or promotions by using the features you select and then printing them in colors of your choice.

  14. Novel Separation of Actinides

    SciTech Connect

    Mariella, R

    2011-02-17

    The separation of actinides and other elements of interest for nuclear forensics and threat reduction is currently performed using decades-old chemistries and ion-exchange columns. We propose to determine the technical feasibility of a novel method for separating actinide ions in solution. This method is based upon isotachophoresis (ITP), which has been applied in the purification of pharmaceuticals and other biochemical applications. This technique has the potential to separate inorganic ions more effectively than existing methods, which is key to analyzing very small samples. We will perform a quantitative assessment of the effectiveness of specific isotachophoretic approaches including predicting the physical and chemical properties, such as ion mobility, of inorganic ions under specific solvent conditions using a combination of ab initio calculations and semi-empirical methods. We expect to obtain a thorough understanding of the analytical systems parameters under which ITP is most effective for the separation of inorganic samples, including the influence of the double layer surrounding actinide ions, the Debye length for different ions and ion complexes, and Debye-Hueckel limits. Inorganic separations are key to nuclear forensics for countering terrorism and nuclear proliferation. If found to be feasible and potentially superior to currently used separation approaches, ITP could provide the conceptual basis for an improved means to separate samples of nuclear explosion debris for nuclear forensic analysis, in support of the Laboratory's missions in homeland and national security.

  15. Effects of natural and chemical stressors on Enchytraeus albidus: can oxidative stress parameters be used as fast screening tools for the assessment of different stress impacts in soils?

    PubMed

    Howcroft, C F; Amorim, M J B; Gravato, C; Guilhermino, L; Soares, A M V M

    2009-02-01

    Enchytraeids are important organisms of the soil biocenosis. They improve the soil pore structure and the degradation of organic matter. These organisms are used in standardized testing, using survival and reproduction (6 weeks) as endpoints. The use of biomarkers, linked to ecologically relevant alterations at higher levels of biological organization, is a promising tool for Environmental Risk Assessment. Here, enchytraeids were exposed for different time periods (two days and three weeks) to different soils (OECD artificial soil, different compositions in its organic matter, clay or pH value, and LUFA 2.2 natural soil) and different chemicals (Phenmedipham and copper). The main question addressed in the present study was if the effects of chemicals and different soil properties are preceded by alterations at the sub-cellular level, and if these endpoints may be used reliantly as faster screening tools for the assessment of different stress conditions in soils. The parameters measured in E. albidus whole body were: lipid peroxidation (LPO), total glutathione (TG), as well as the enzymatic activities of superoxide dismutase (SOD), catalase (CAT), glutathione reductase (GR), glutathione peroxidase (GPx) and glutathione S-transferase (GST). The results showed that biomarker responses in E. albidus were significantly affected by the soil type (GST, CAT, GPx, GR and LPO) and the duration of exposure in OECD artificial soil (GST, GPx, GR, CAT and LPO) but not in LUFA 2.2 natural soil. For the abiotic factors studied, after 2 days, low pH decreased significantly the TG levels and the activities of CAT and GR,and low OM also significantly decreased CAT and GR activities. After 3 weeks, differences in soil properties caused a decrease in GR and GPx activities, whereas increased GST activity was observed due to low organic matter and pH. Copper significantly increased the activities of CAT, GPx and GR, and decreased the activity of GST after 2 days as well as inscreasing

  16. Expeditious method to determine uranium in the process control samples of chemical plant separating (233)U from thoria irradiated in power reactors.

    PubMed

    Kedari, C S; Kharwandikar, B K; Banerjee, K

    2016-11-01

    Analysis of U in the samples containing a significant proportion of (232)U and high concentration of Th is of great concern. Transmutation of Th in the nuclear power reactor produces a notable quantity of (232)U (half life 68.9 years) along with fissile isotope (233)U. The decay series of (232)U is initiated with (228)Th (half life 1.9 year) and it is followed by several short lived α emitting progenies, (224)Ra, (220)Rn, (216)Po, (212)Bi and (212)Po. Even at the smallest contamination of (228)Th in the sample, a very high pulse rate of α emission is obtained, which is to be counted for the radiometric determination of [U]. A commercially available anionic type of extractant Alamine®336 is used to obtain the selective extraction of U from other alpha active elements and fission products present in the sample. Experimental conditions of liquid-liquid extraction (LLE) are optimized for obtaining maximum decontamination and recovery of U in the organic phase. The effect of some interfering ionic impurities in the sample on the process of separation is investigated. Depending on the level of the concentration of U in the samples, spectrophotometry or radiometry methods are adopted for its determination after separation by LLE. Under optimized experimental conditions, i.e. 5.5M HCl in the aqueous phase and 0.27M Alamin®336 in the organic phase, the recovery of U is about 100%, the decontamination factor with respect to Th is >2000 and the extraction of fission products like (90)Sr, (144)Ce and (134,137)Cs is negligible. The detection limit for [U] using α radiometry is 10mg/L, even in presence of >100g/L of Th in the sample. Accuracy and precision for the determination of U is also assessed. Reproducibility of results is within 5%. This method shows very good agreement with the results obtained by mass spectrometry.

  17. Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates.

    PubMed

    Kanyal, Supriya S; Häbe, Tim T; Cushman, Cody V; Dhunna, Manan; Roychowdhury, Tuhin; Farnsworth, Paul B; Morlock, Gertrud E; Linford, Matthew R

    2015-07-24

    Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000theoretical plates/m and a reduced mobile phase consumption of only 400μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.

  18. Isotope separation

    DOEpatents

    Bartlett, Rodney J.; Morrey, John R.

    1978-01-01

    A method and apparatus is described for separating gas molecules containing one isotope of an element from gas molecules containing other isotopes of the same element in which all of the molecules of the gas are at the same electronic state in their ground state. Gas molecules in a gas stream containing one of the isotopes are selectively excited to a different electronic state while leaving the other gas molecules in their original ground state. Gas molecules containing one of the isotopes are then deflected from the other gas molecules in the stream and thus physically separated.

  19. ISOTOPE SEPARATORS

    DOEpatents

    Bacon, C.G.

    1958-08-26

    An improvement is presented in the structure of an isotope separation apparatus and, in particular, is concerned with a magnetically operated shutter associated with a window which is provided for the purpose of enabling the operator to view the processes going on within the interior of the apparatus. The shutier is mounted to close under the force of gravity in the absence of any other force. By closing an electrical circuit to a coil mouated on the shutter the magnetic field of the isotope separating apparatus coacts with the magnetic field of the coil to force the shutter to the open position.

  20. Separator sub

    SciTech Connect

    Hayatdavoudi, A.

    1984-10-09

    Apparatus and methods are disclosed for drilling a well. A separator sub is used to separate a stream of drilling mud into a less dense first portion and more dense second portion. The less dense first portion of the stream of drilling mud is directed downward to a drill bit so that the drilling mud adjacent the drill bit has a density less than an initial density of the stream of drilling mud. The more dense second portion of the stream of drilling mud is ejected into a well annulus with an upward component of velocity and thereby reduces a hydrostatic drilling mud pressure adjacent the drill bit.