WorldWideScience

Sample records for estimate molecular masses

  1. Molecular pathology and age estimation.

    Science.gov (United States)

    Meissner, Christoph; Ritz-Timme, Stefanie

    2010-12-15

    Over the course of our lifetime a stochastic process leads to gradual alterations of biomolecules on the molecular level, a process that is called ageing. Important changes are observed on the DNA-level as well as on the protein level and are the cause and/or consequence of our 'molecular clock', influenced by genetic as well as environmental parameters. These alterations on the molecular level may aid in forensic medicine to estimate the age of a living person, a dead body or even skeletal remains for identification purposes. Four such important alterations have become the focus of molecular age estimation in the forensic community over the last two decades. The age-dependent accumulation of the 4977bp deletion of mitochondrial DNA and the attrition of telomeres along with ageing are two important processes at the DNA-level. Among a variety of protein alterations, the racemisation of aspartic acid and advanced glycation endproducs have already been tested for forensic applications. At the moment the racemisation of aspartic acid represents the pinnacle of molecular age estimation for three reasons: an excellent standardization of sampling and methods, an evaluation of different variables in many published studies and highest accuracy of results. The three other mentioned alterations often lack standardized procedures, published data are sparse and often have the character of pilot studies. Nevertheless it is important to evaluate molecular methods for their suitability in forensic age estimation, because supplementary methods will help to extend and refine accuracy and reliability of such estimates. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

  2. Mass Estimation and Its Applications

    Science.gov (United States)

    2012-02-23

    parameters); e.g., the rect- angular kernel function has fixed width or fixed per unit size. But the rectangular function used in mass has no parameter...MassTER is implemented in JAVA , and we use DBSCAN in WEKA [13] and a version of DENCLUE implemented in R (www.r-project.org) in our empirical evaluation...Proceedings of SIGKDD, 2010, 989-998. [13] I.H. Witten and E. Frank, Data Mining: Practical Machine Learning Tools and Techniques with Java Implementations

  3. Body mass estimation from the skeleton

    DEFF Research Database (Denmark)

    Lacoste Jeanson, Alizé; Santos, Frédéric; Villa, Chiara

    2017-01-01

    Estimating an individual body mass (BM) from the skeleton is a challenge for forensic anthropology. However, identifying someone's BMI (Body Mass Index) category, i.e. underweight, normal, overweight or obese, could contribute to identification. Individual BM is also known to influence the age...

  4. On one estimate of glueball mass

    International Nuclear Information System (INIS)

    Boos, E.E.

    1986-01-01

    The Bethe-Salpeter equation for the wave function of the bound state of two gluons is considered. The mass of the glueball 0 ++ , (M gl ∼ 1.3 GeV), is estimated using some expansions in the equation kernel in the spirit of those made in the QCD sum rules method. In the leading approximation, the masses of the glueballs 0 ++ and 2 ++ appear to be degenerate. A possibility to improve the accuracy of estimating the mass by using the expansion in 1/N c is discussed

  5. Nuclear molecular structure in heavy mass systems

    International Nuclear Information System (INIS)

    Arctaedius, T.; Bargholtz, C.

    1989-04-01

    A study is made of nuclear molecular configurations involving one heavy mass partner. The stability of these configurations to mass flow and to fission is investigated as well as their population in fusion reactions. It is concluded that shell effects in combination with the effects of angular momentum may be important in stabilizing certain configurations. A possible relation of these configurations to the so called superdeformed states is pointed out. The spectrum of rotational and vibrational trasitions within molecular configurations is investigated. For sufficiently mass-asymmetric systems the engergies of vibrational transitions are comparable to the neutron separation energy. Gamma radiation from such transitions may then be observable above the background of statistical transitions. The gamma spectrum and the directional distribution of the radioation following fusion reactions with 12 C and 16 O are calculated. (authors)

  6. Estimating fat mass in heart failure patients.

    Science.gov (United States)

    Trippel, Tobias Daniel; Lenk, Julian; Gunga, Hanns-Christian; Doehner, Wolfram; von Haehling, Stephan; Loncar, Goran; Edelmann, Frank; Pieske, Burkert; Stahn, Alexander; Duengen, Hans-Dirk

    2016-01-01

    Body composition (BC) assessments in heart failure (HF) patients are mainly based on body weight, body mass index and waist-to-hip ratio. The present study compares BC assessments by basic anthropometry, dual energy X-ray absorptiometry (DXA), bioelectrical impedance spectroscopy (BIS), and air displacement plethysmography (ADP) for the estimation of fat (FM) and fat-free mass (FFM) in a HF population. In this single-centre, observational pilot study we enrolled 52 patients with HF (33 HF with reduced ejection fraction (HFrEF), 19 HF with preserved ejection fraction (HFpEF); mean age was 67.7 ±9.9 years, 41 male) and 20 healthy controls. DXA was used as a reference standard for the measurement of FM and FFM. In the HF population, linear regression for DXA-FM and waist-to-hip ratio ( r = -0.05, 95% CI: (-0.32)-0.23), body mass index ( r = 0.47, 95% CI: 0.23-0.669), and body density ( r = -0.87, 95% CI: (-0.93)-(-0.87)) was obtained. In HF, Lin's concordance correlation coefficient of DXA-FM (%) with ADP-FM (%) was 0.76 (95% CI: 0.64-0.85) and DXA-FFM [kg] with DXA-ADP [kg] was 0.93 (95% CI: 0.88-0.96). DXA-FM (%) for BIS-FM (%) was 0.69 (95% CI: 0.54-0.80) and 0.73 (95% CI: 0.60-0.82) for DXA-FFM [kg] and BIS-FFM [kg]. Body density is a useful surrogate for FM. ADP was found suitable for estimating FM (%) and FFM [kg] in HF patients. BIS showed acceptable results for the estimation of FM (%) in HFrEF and for FFM [kg] in HFpEF patients. We encourage selecting a suitable method for BC assessment according to the compartment of interest in the HF population.

  7. Theoretical estimation of Z´ boson mass

    International Nuclear Information System (INIS)

    Maji, Priya; Banerjee, Debika; Sahoo, Sukadev

    2016-01-01

    The discovery of Higgs boson at the LHC brings a renewed perspective in particle physics. With the help of Higgs mechanism, standard model (SM) allows the generation of particle mass. The ATLAS and CMS experiments at the LHC have predicted the mass of Higgs boson as m_H=125-126 GeV. Recently, it is claimed that the Higgs boson might interact with dark matter and there exists relation between the Higgs boson and dark matter (DM). Hertzberg has predicted a correlation between the Higgs mass and the abundance of dark matter. His theoretical result is in good agreement with current data. He has predicted the mass of Higgs boson as GeV. The Higgs boson could be coupled to the particle that constitutes all or part of the dark matter in the universe. Light Z´ boson could have important implications in dark matter phenomenology

  8. The effect of the molecular mass on the sputtering by electrosprayed nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Borrajo-Pelaez, Rafael; Gamero-Castaño, Manuel, E-mail: mgameroc@uci.edu

    2015-07-30

    Highlights: • We study the effect of the molecular mass on nanodroplet sputtering of silicon. • The impact phenomenology is a strong function of the projectile’s molecular mass. • Nanodroplet sputtering intrinsically is a molecular scale phenomenon. - Abstract: Energetic bombardment of covalently bonded materials by electrosprayed nanodroplets causes sputtering and topographic changes on the surface of the target. This work investigates the influence of the projectile's molecular mass on these phenomena by sputtering single-crystal silicon wafers with a variety of liquids (molecular masses between 45.0 and 773.3 amu), and acceleration voltages. The electrosprays are characterized via time of flight to determine the charge to mass ratio of the nanodroplets which, together with the acceleration voltage, yield the impact velocity, the stagnation pressure, and the molecular kinetic energy of the projectile. The estimated range of droplet diameters is 20–79 nm, while the impact velocity, the stagnation pressure and the molecular kinetic energy range between 2.9–10 km/s, 4.7–63 GPa, and 2.1–98 eV. We find that the damage on the surface of the targets strongly depends on the molecular mass of the projectile: liquids with low molecular mass sputter significantly less and produce nanometric indentations and low surface roughness, the latter increasing moderately with stagnation pressure; in contrast, the roughness and sputtering caused by the impacts of droplets with larger molecular mass reach significantly higher values, and exhibit non-monotonic behaviors. The maximum sputtering yields for formamide, EAN, EMI-BF{sub 4}, EMI-Im, TES, and TPP are 0.20, 0.75, 1.20, 2.80, 4.00 and 2.90 silicon atoms per molecule in the projectile. These trends indicate that despite their rather large diameters, the sputtering by electrosprayed nanodroplets is intrinsically a molecular scale phenomenon.

  9. WISDOM Project - II. Molecular gas measurement of the supermassive black hole mass in NGC 4697

    Science.gov (United States)

    Davis, Timothy A.; Bureau, Martin; Onishi, Kyoko; Cappellari, Michele; Iguchi, Satoru; Sarzi, Marc

    2017-07-01

    As part of the mm-Wave Interferometric Survey of Dark Object Masses (WISDOM) project, we present an estimate of the mass of the supermassive black hole (SMBH) in the nearby fast-rotating early-type galaxy NGC 4697. This estimate is based on Atacama Large Millimeter/submillimeter Array (ALMA) cycle-3 observations of the 12CO(2-1) emission line with a linear resolution of 29 pc (0.53 arcsec). We find that NGC 4697 hosts a small relaxed central molecular gas disc with a mass of 1.6 × 107 M⊙, co-spatial with the obscuring dust disc visible in optical Hubble Space Telescope imaging. We also resolve thermal 1 mm continuum emission from the dust in this disc. NGC 4697 is found to have a very low molecular gas velocity dispersion, σgas = 1.65^{+0.68}_{-0.65} km s-1. This seems to be partially because the giant molecular cloud mass function is not fully sampled, but other mechanisms such as chemical differentiation in a hard radiation field or morphological quenching also seem to be required. We detect a Keplerian increase of the rotation of the molecular gas in the very centre of NGC 4697, and use forward modelling of the ALMA data cube in a Bayesian framework with the KINematic Molecular Simulation (kinms) code to estimate an SMBH mass of (1.3_{-0.17}^{+0.18}) × 108 M⊙ and an I-band mass-to-light ratio of 2.14_{-0.05}^{+0.04} M⊙/L⊙ (at the 99 per cent confidence level). Our estimate of the SMBH mass is entirely consistent with previous measurements from stellar kinematics. This increases confidence in the growing number of SMBH mass estimates being obtained in the ALMA era.

  10. Study of molecular iodine-epoxy paint mass transfer

    Energy Technology Data Exchange (ETDEWEB)

    Belval-Haltier, E [Inst. de Protection et Surete Nucleaire, IPSN, CEN Cadarache, St. Paul-lez-Durance (France)

    1996-12-01

    The mass transfer phenomena may have a significant influence on the quantity of I{sub 2} which could be released following a severe accident of a nuclear power plant and specially the mass transfer of iodine onto containment surfaces. So, the objective of the present work was to evaluate which phase limited the adsorption process of iodine onto gaseous epoxy paint under a range of conditions which may be relevant to a severe reactor accident. In this aim, a series of experiments was conducted in which the sorption kinetics of molecular iodine, labelled with {sup 131}I, was measured by monitoring continuously the accumulation of this species on the epoxy surface. For each test condition, the initial deposition velocity was determined and the corresponding gas phase mass transfer, kg, was estimated by using the heat transfer analogy for a laminar flow passing over a flat plate. Then, the surface reaction rate, Kr, was deduced from these two values. Experiments performed indicated that iodine adsorption onto epoxy paint is highly dependent on temperature, relative humidity of the carrier gas and moisture content of the painted coupon. In dry air flow conditions, the adsorption of iodine onto paint was found to increase with temperature and to be limited by the surface reaction rate, Kr. The I{sub 2} adsorption rate was found to increase with the humidity of carrier gas and in some studied conditions, the initial deposition velocity appeared to be controlled by gas phase mass transfer rather than surface interaction. The same phenomenon has been observed with an increase of the initial water content of the painted coupon. (author) 6 figs., 1 tab., 8 refs.

  11. Estimation of hydrologic properties of an unsaturated, fractured rock mass

    International Nuclear Information System (INIS)

    Klavetter, E.A.; Peters, R.R.

    1986-07-01

    In this document, two distinctly different approaches are used to develop continuum models to evaluate water movement in a fractured rock mass. Both models provide methods for estimating rock-mass hydrologic properties. Comparisons made over a range of different tuff properties show good qualitative and quantitative agreement between estimates of rock-mass hydrologic properties made by the two models. This document presents a general discussion of: (1) the hydrology of Yucca Mountain, and the conceptual hydrological model currently being used for the Yucca Mountain site, (2) the development of two models that may be used to estimate the hydrologic properties of a fractured, porous rock mass, and (3) a comparison of the hydrologic properties estimated by these two models. Although the models were developed in response to hydrologic characterization requirements at Yucca Mountain, they can be applied to water movement in any fractured rock mass that satisfies the given assumptions

  12. RSMASS: A simple model for estimating reactor and shield masses

    International Nuclear Information System (INIS)

    Marshall, A.C.; Aragon, J.; Gallup, D.

    1987-01-01

    A simple mathematical model (RSMASS) has been developed to provide rapid estimates of reactor and shield masses for space-based reactor power systems. Approximations are used rather than correlations or detailed calculations to estimate the reactor fuel mass and the masses of the moderator, structure, reflector, pressure vessel, miscellaneous components, and the reactor shield. The fuel mass is determined either by neutronics limits, thermal/hydraulic limits, or fuel damage limits, whichever yields the largest mass. RSMASS requires the reactor power and energy, 24 reactor parameters, and 20 shield parameters to be specified. This parametric approach should be applicable to a very broad range of reactor types. Reactor and shield masses calculated by RSMASS were found to be in good agreement with the masses obtained from detailed calculations

  13. Visual illusion in mass estimation of cut food.

    Science.gov (United States)

    Wada, Yuji; Tsuzuki, Daisuke; Kobayashi, Naoki; Hayakawa, Fumiyo; Kohyama, Kaoru

    2007-07-01

    We investigated the effect of the appearance of cut food on visual mass estimation. In this experiment, we manipulated the shape (e.g., a block, fine strips, or small cubes) of food samples of various masses, and presented them on a CRT display as stimuli. Eleven subjects participated in tasks to choose the picture of the food sample which they felt indicated a target mass. We used raw carrots and surimi (ground fish) gel as hard and soft samples, respectively. The results clearly confirm an existence of an illusion, and this indicates that the appearance of food interferes with visual mass estimation. Specifically, participants often overestimated the mass of finely cut food, especially fine strips, whereas they could accurately estimate the mass of block samples, regardless of the physical characteristics of the foods. The overestimation of the mass of cut food increased with the food's actual mass, and was particularly obvious with increases of apparent volume when cut into fine strips. These results suggest that the apparent volume of a food sample effects the visual estimation of its mass. Hence we can conclude that there are illusions associated with the visual presentation of food that may influence various food impressions, including satisfaction and eating behaviour.

  14. A reconciled estimate of ice-sheet mass balance

    DEFF Research Database (Denmark)

    Shepherd, Andrew; Ivins, Erik R; A, Geruo

    2012-01-01

    We combined an ensemble of satellite altimetry, interferometry, and gravimetry data sets using common geographical regions, time intervals, and models of surface mass balance and glacial isostatic adjustment to estimate the mass balance of Earth's polar ice sheets. We find that there is good agre...

  15. High- and low-molecular-mass microbial surfactants.

    Science.gov (United States)

    Rosenberg, E; Ron, E Z

    1999-08-01

    Microorganisms synthesize a wide variety of high- and low-molecular-mass bioemulsifiers. The low-molecular-mass bioemulsifiers are generally glycolipids, such as trehalose lipids, sophorolipids and rhamnolipids, or lipopeptides, such as surfactin, gramicidin S and polymyxin. The high-molecular-mass bioemulsifiers are amphipathic polysaccharides, proteins, lipopolysaccharides, lipoproteins or complex mixtures of these biopolymers. The low-molecular-mass bioemulsifiers lower surface and interfacial tensions, whereas the higher-molecular-mass bioemulsifiers are more effective at stabilizing oil-in-water emulsions. Three natural roles for bioemulsifiers have been proposed: (i) increasing the surface area of hydrophobic water-insoluble growth substrates; (ii) increasing the bioavailability of hydrophobic substrates by increasing their apparent solubility or desorbing them from surfaces; (iii) regulating the attachment and detachment of microorganisms to and from surfaces. Bioemulsifiers have several important advantages over chemical surfactants, which should allow them to become prominent in industrial and environmental applications. The potential commercial applications of bioemulsifiers include bioremediation of oil-polluted soil and water, enhanced oil recovery, replacement of chlorinated solvents used in cleaning-up oil-contaminated pipes, vessels and machinery, use in the detergent industry, formulations of herbicides and pesticides and formation of stable oil-in-water emulsions for the food and cosmetic industries.

  16. Multiscale estimation of excess mass from gravity data

    Science.gov (United States)

    Castaldo, Raffaele; Fedi, Maurizio; Florio, Giovanni

    2014-06-01

    We describe a multiscale method to estimate the excess mass of gravity anomaly sources, based on the theory of source moments. Using a multipole expansion of the potential field and considering only the data along the vertical direction, a system of linear equations is obtained. The choice of inverting data along a vertical profile can help us to reduce the interference effects due to nearby anomalies and will allow a local estimate of the source parameters. A criterion is established allowing the selection of the optimal highest altitude of the vertical profile data and truncation order of the series expansion. The inversion provides an estimate of the total anomalous mass and of the depth to the centre of mass. The method has several advantages with respect to classical methods, such as the Gauss' method: (i) we need just a 1-D inversion to obtain our estimates, being the inverted data sampled along a single vertical profile; (ii) the resolution may be straightforward enhanced by using vertical derivatives; (iii) the centre of mass is also estimated, besides the excess mass; (iv) the method is very robust versus noise; (v) the profile may be chosen in such a way to minimize the effects from interfering anomalies or from side effects due to the a limited area extension. The multiscale estimation of excess mass method can be successfully used in various fields of application. Here, we analyse the gravity anomaly generated by a sulphide body in the Skelleftea ore district, North Sweden, obtaining source mass and volume estimates in agreement with the known information. We show also that these estimates are substantially improved with respect to those obtained with the classical approach.

  17. Hydrodynamic characterization and molecular weight estimation of ultrasonically sheared DNA

    International Nuclear Information System (INIS)

    Casal, J. I.; Garces, F.; Garcia-Sacristan, A.

    1981-01-01

    The sedimentation coefficients and intrinsic viscosities of ultrasonically sheared calf thymus DNA have been determined. The molecular weight estimation according to this parameters have been compared with the ones obtained from the electrophoretic migration rates based on the calibration proposed using the known molecular weight restriction fragments of X-ENA. (Author) 35 refs

  18. Asteroid mass estimation using Markov-chain Monte Carlo

    Science.gov (United States)

    Siltala, Lauri; Granvik, Mikael

    2017-11-01

    Estimates for asteroid masses are based on their gravitational perturbations on the orbits of other objects such as Mars, spacecraft, or other asteroids and/or their satellites. In the case of asteroid-asteroid perturbations, this leads to an inverse problem in at least 13 dimensions where the aim is to derive the mass of the perturbing asteroid(s) and six orbital elements for both the perturbing asteroid(s) and the test asteroid(s) based on astrometric observations. We have developed and implemented three different mass estimation algorithms utilizing asteroid-asteroid perturbations: the very rough 'marching' approximation, in which the asteroids' orbital elements are not fitted, thereby reducing the problem to a one-dimensional estimation of the mass, an implementation of the Nelder-Mead simplex method, and most significantly, a Markov-chain Monte Carlo (MCMC) approach. We describe each of these algorithms with particular focus on the MCMC algorithm, and present example results using both synthetic and real data. Our results agree with the published mass estimates, but suggest that the published uncertainties may be misleading as a consequence of using linearized mass-estimation methods. Finally, we discuss remaining challenges with the algorithms as well as future plans.

  19. Updated Estimates of Glacier Mass Change for Western North America

    Science.gov (United States)

    Menounos, B.; Gardner, A. S.; Howat, I.; Berthier, E.; Dehecq, A.; Noh, M. J.; Pelto, B. M.

    2017-12-01

    Alpine glaciers are critical components in Western North America's hydrologic cycle. We use varied remotely-sensed datasets to provide updated mass change estimates for Region 2 of the Randolf Glacier Inventory (RGI-02 - all North American glaciers outside of Alaska). Our datasets include: i) aerial laser altimetry surveys completed over many thousands of square kilometers; and ii) multiple Terabytes of high resolution optical stereo imagery (World View 1-3 and Pleiades). Our data from the period 2014-2017 includes the majority of glaciers in RGI-02, specifically those ice masses in the Rocky Mountains (US and Canada), Interior Ranges in British Columbia and the Cascade Mountains (Washington). We co-registered and bias corrected the recent surface models to the Shuttle Radar Topographic Mapping (SRTM) data acquired in February, 2000. In British Columbia, our estimates of mass change are within the uncertainty estimates obtained for the period 1985-2000, but estimates from some regions indicate accelerated mass loss. Work is also underway to update glacier mass change estimates for glaciers in Washington and Montana. Finally, we use re-analysis data (ERA interim and ERA5) to evaluate the meteorological drivers that explain the temporal and spatial variability of mass change evident in our analysis.

  20. Mass transport thermodynamics in nonisothermal molecular liquid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, Semen N [Institute for Biochemical Physics, Russian Academy of Sciences, Moscow (Russian Federation); Schimpf, M E [Department of Chemistry and Biochemistry, Boise State University, Boise, ID (United States)

    2009-10-31

    Mass transport in a nonisothermal binary molecular mixture is systematically discussed in terms of nonequilibrium thermodynamics, which for the first time allows a consistent and unambiguous description of the process. The thermodynamic and hydrodynamic approaches are compared, revealing that nonequilibrium thermodynamics and physicochemical hydrodynamics yield essentially the same results for molecular systems. The applicability limits for the proposed version of the thermodynamic approach are determined for large particles. (methodological notes)

  1. Molecular mass spectrometry imaging in biomedical and life science research

    Czech Academy of Sciences Publication Activity Database

    Pól, Jaroslav; Strohalm, Martin; Havlíček, Vladimír; Volný, Michael

    2010-01-01

    Roč. 134, č. 5 (2010), s. 423-443 ISSN 0948-6143 R&D Projects: GA MŠk LC545; GA ČR GPP206/10/P018 Institutional research plan: CEZ:AV0Z50200510 Keywords : Mass spectrometry * Chemical imaging * Molecular imaging Subject RIV: EE - Microbiology, Virology Impact factor: 4.727, year: 2010

  2. Molecular characterization and expression analysis of fat mass and ...

    Indian Academy of Sciences (India)

    Keywords. fat mass and obesity-associated gene (FTO); rabbit; mRNA expression patterns; sequence analysis; Oryctolagus cuniculus. ... In this work, the molecular characterization and expression features of rabbit (Oryctolagus cuniculus) FTO cDNA were analysed. The rabbit FTO cDNA with a size of 2158 bp was cloned, ...

  3. Molecular engineering problems in heat and mass transfer

    International Nuclear Information System (INIS)

    Kotake, S.

    1991-01-01

    As for developing, manufacturing and applying new materials of advanced functions such as high-performance devices and high-temperature materials, fundamental understanding of the phenomena from the standpoint of molecular and atomic levels has been required. In these problems, the processes of heat and mass transfer play an important role, being one of the rate-controlling factors. But the energy levels associated with heat and mass transfer are of the orders much less than those of chemical reaction, and it is not easy to understand the thermal problems on the molecular and atomic basis. This paper views the processes of heat and mass transfer from the dynamical motions of atom and molecule for thermal engineering problems. Especially, problems are considered of heat conduction in fine-ceramics, sintered materials of high heat conductivity or high heat-insulation, phase change of condensation in vapor deposition processes such as CVD and PVD, and radiation in laser processing

  4. Mass estimates from stellar proper motions: the mass of ω Centauri

    Science.gov (United States)

    D'Souza, Richard; Rix, Hans-Walter

    2013-03-01

    We lay out and apply methods to use proper motions of individual kinematic tracers for estimating the dynamical mass of star clusters. We first describe a simple projected mass estimator and then develop an approach that evaluates directly the likelihood of the discrete kinematic data given the model predictions. Those predictions may come from any dynamical modelling approach, and we implement an analytic King model, a spherical isotropic Jeans equation model and an axisymmetric, anisotropic Jeans equation model. This maximum likelihood modelling (MLM) provides a framework for a model-data comparison, and a resulting mass estimate, which accounts explicitly for the discrete nature of the data for individual stars, the varying error bars for proper motions of differing signal-to-noise ratio, and for data incompleteness. Both of these two methods are evaluated for their practicality and are shown to provide an unbiased and robust estimate of the cluster mass. We apply these approaches to the enigmatic globular cluster ω Centauri, combining the proper motion from van Leeuwen et al. with improved photometric cluster membership probabilities. We show that all mass estimates based on spherical isotropic models yield (4.55 ± 0.1) × 106 M⊙[D/5.5 ± 0.2 kpc]3, where our modelling allows us to show how the statistical precision of this estimate improves as more proper motion data of lower signal-to-noise ratio are included. MLM predictions, based on an anisotropic axisymmetric Jeans model, indicate for ω Cen that the inclusion of anisotropies is not important for the mass estimates, but that accounting for the flattening is: flattened models imply (4.05 ± 0.1) × 106 M⊙[D/5.5 ± 0.2 kpc]3, 10 per cent lower than when restricting the analysis to a spherical model. The best current distance estimates imply an additional uncertainty in the mass estimate of 12 per cent.

  5. WISDOM project - I. Black hole mass measurement using molecular gas kinematics in NGC 3665

    Science.gov (United States)

    Onishi, Kyoko; Iguchi, Satoru; Davis, Timothy A.; Bureau, Martin; Cappellari, Michele; Sarzi, Marc; Blitz, Leo

    2017-07-01

    As a part of the mm-Wave Interferometric Survey of Dark Object Masses (WISDOM) project, we present an estimate of the mass of the supermassive black hole (SMBH) in the nearby fast-rotator early-type galaxy NGC 3665. We obtained the Combined Array for Research in Millimeter Astronomy (CARMA) B and C array observations of the 12CO(J = 2 - 1) emission line with a combined angular resolution of 0.59 arcsec. We analysed and modelled the three-dimensional molecular gas kinematics, obtaining a best-fitting SMBH mass M_BH=5.75^{+1.49}_{-1.18} × 108 M⊙, a mass-to-light ratio at H-band (M/L)H = 1.45 ± 0.04 (M/L)⊙,H and other parameters describing the geometry of the molecular gas disc (statistical errors, all at 3σ confidence). We estimate the systematic uncertainties on the stellar M/L to be ≈0.2 (M/L)⊙,H, and on the SMBH mass to be ≈0.4 × 108 M⊙. The measured SMBH mass is consistent with that estimated from the latest correlations with galaxy properties. Following our older works, we also analysed and modelled the kinematics using only the major-axis position-velocity diagram, and conclude that the two methods are consistent.

  6. Estimation of unknown nuclear masses by means of the generalized mass relations. Pt. 3

    International Nuclear Information System (INIS)

    Popa, S.M.

    1980-01-01

    A survey of the estimations of the unknown nuclear masses by means of the generalized mass relations is presented. One discusses the new hypotheses supplementing the original general Garvey-Kelson scheme, reviewing the generalized mass relations and formulae, according to the present status of this new formalism. A critical discussions is given of the reliability of these new Garvey-Kelson type extrapolation procedures. (author)

  7. Uncertainty estimates for theoretical atomic and molecular data

    International Nuclear Information System (INIS)

    Chung, H-K; Braams, B J; Bartschat, K; Császár, A G; Drake, G W F; Kirchner, T; Kokoouline, V; Tennyson, J

    2016-01-01

    Sources of uncertainty are reviewed for calculated atomic and molecular data that are important for plasma modeling: atomic and molecular structures and cross sections for electron-atom, electron-molecule, and heavy particle collisions. We concentrate on model uncertainties due to approximations to the fundamental many-body quantum mechanical equations and we aim to provide guidelines to estimate uncertainties as a routine part of computations of data for structure and scattering. (topical review)

  8. Center of mass movement estimation using an ambulatory measurement sytem

    NARCIS (Netherlands)

    Schepers, H. Martin; Veltink, Petrus H.

    2007-01-01

    Center of Mass (CoM) displacement, an important variable to characterize human walking, was estimated in this study using an ambulatory measurement system. The ambulatory system was compared to an optical reference system. Root-mean-square differences between the magnitudes of the CoM appeared to be

  9. The relative efficiency of three methods of estimating herbage mass ...

    African Journals Online (AJOL)

    The methods involved were randomly placed circular quadrats; randomly placed narrow strips; and disc meter sampling. Disc meter and quadrat sampling appear to be more efficient than strip sampling. In a subsequent small plot grazing trial the estimates of herbage mass, using the disc meter, had a consistent precision ...

  10. Thyroid mass estimation in Grave's disease by SPECT

    International Nuclear Information System (INIS)

    Pant, G.S.; Sharma, S.K.; Kumar, R.; Pandey, A.K.; Gupta, A.K.

    2002-01-01

    Aim: One of the important parts of treatment of Grave's disease with I-131 is the delivery of accurate dose to the target volume. Three important parameters that need to be accurately measured for dosimetry are; the 24 hr thyroid uptake (%), the thyroid mass and effective half life of I-131 in the gland. In this presentation we describe the estimation thyroid mass by SPECT. We have standardised a method to estimated thyroid volume by SPECT using thyroid phantoms of different sizes and then used them for routine thyroid mass estimation in patients with Graves' disease. Materials and Methods: Due to variation in thyroid weight in patients with Grave's disease, we standardised the scintigraphic (SPECT) technique using thyroid phantoms of different volumes such as 5 ml, 9.5 ml, 10.5 ml, 35 ml, 80 ml, 101ml and 110 ml. Each phantom was filled with 99 mTc solution with different activity concentration (100 μCi, 300 μCi, 600 μCi and 1.0 μCi) and SPECT images were acquired on a VARICAM dual head camera in 128x128 matrix. The acquired data was processed using a standardised Metz filter but without attenuation or scatter correction. Coronal slices were used with suitable threshold for edge detection. An irregular ROI was plotted around each lobe and isthmus of the thyroid gland and the enclosed slice area was measured. The area measured from all the frames was added and multiplied by the slice thickness to get the volume of the thyroid gland. The estimated volume of each phantom was compared and correlated with its actual volume. The thyroid mass in 40 patients was estimated by SPECT and compared with that estimated by ultrasonography.Results and Conclusion: The results of thyroid mass estimation with SPECT in phantom study suggested a 30% threshold for all phantom volumes. However, 35% threshold was used in patients' images for estimating thyroid volume. The estimated volumes by scintigraphy were compared with that estimated by ultrasonography. A correlation coefficient

  11. Piezoelectric sensors based on molecular imprinted polymers for detection of low molecular mass analytes.

    Science.gov (United States)

    Uludağ, Yildiz; Piletsky, Sergey A; Turner, Anthony P F; Cooper, Matthew A

    2007-11-01

    Biomimetic recognition elements employed for the detection of analytes are commonly based on proteinaceous affibodies, immunoglobulins, single-chain and single-domain antibody fragments or aptamers. The alternative supra-molecular approach using a molecularly imprinted polymer now has proven utility in numerous applications ranging from liquid chromatography to bioassays. Despite inherent advantages compared with biochemical/biological recognition (which include robustness, storage endurance and lower costs) there are few contributions that describe quantitative analytical applications of molecularly imprinted polymers for relevant small molecular mass compounds in real-world samples. There is, however, significant literature describing the use of low-power, portable piezoelectric transducers to detect analytes in environmental monitoring and other application areas. Here we review the combination of molecularly imprinted polymers as recognition elements with piezoelectric biosensors for quantitative detection of small molecules. Analytes are classified by type and sample matrix presentation and various molecularly imprinted polymer synthetic fabrication strategies are also reviewed.

  12. Estimation of atomic masses of heavy and superheavy elements

    Energy Technology Data Exchange (ETDEWEB)

    Uno, Masahiro [Ministry of Education, Science and Culture, Tokyo (Japan)

    1997-07-01

    To estimate unknown atomic masses of heavy and superheavy elements, three kinds of formula: FRDM (finite range droplet model by Moeller et al.), TUYY (an empirical formula by Tachibana et al.) and our KUTY are explained. KUTY estimates the crude shell energies of spherical nucleus from sum of single-particle energies. Then, the refined shell energies in due consideration of paring and deformation are obtained by mixing with the functions of the crude shell energies. Experimental values of U and Fm isotopes were compared with estimation mass of KUTY and FRDM. In the field with experimental values of U isotopes, the value of KUTY and FRDM separated the same difference from the experimental value. The behavior of KUTY and FRDM for Fm isotopes were same as that of U, but ETFSI deviated a little from the experimental values. (S.Y.)

  13. Fissile mass estimation by pulsed neutron source interrogation

    Energy Technology Data Exchange (ETDEWEB)

    Israelashvili, I., E-mail: israelashvili@gmail.com [Nuclear Research Center of the Negev, P.O.B 9001, Beer Sheva 84190 (Israel); Dubi, C.; Ettedgui, H.; Ocherashvili, A. [Nuclear Research Center of the Negev, P.O.B 9001, Beer Sheva 84190 (Israel); Pedersen, B. [Nuclear Security Unit, Institute for Transuranium Elements, Joint Research Centre, Via E. Fermi, 2749, 21027 Ispra (Italy); Beck, A. [Nuclear Research Center of the Negev, P.O.B 9001, Beer Sheva 84190 (Israel); Roesgen, E.; Crochmore, J.M. [Nuclear Security Unit, Institute for Transuranium Elements, Joint Research Centre, Via E. Fermi, 2749, 21027 Ispra (Italy); Ridnik, T.; Yaar, I. [Nuclear Research Center of the Negev, P.O.B 9001, Beer Sheva 84190 (Israel)

    2015-06-11

    Passive methods for detecting correlated neutrons from spontaneous fissions (e.g. multiplicity and SVM) are widely used for fissile mass estimations. These methods can be used for fissile materials that emit a significant amount of fission neutrons (like plutonium). Active interrogation, in which fissions are induced in the tested material by an external continuous source or by a pulsed neutron source, has the potential advantages of fast measurement, alongside independence of the spontaneous fissions of the tested fissile material, thus enabling uranium measurement. Until recently, using the multiplicity method, for uranium mass estimation, was possible only for active interrogation made with continues neutron source. Pulsed active neutron interrogation measurements were analyzed with techniques, e.g. differential die away analysis (DDA), which ignore or implicitly include the multiplicity effect (self-induced fission chains). Recently, both, the multiplicity and the SVM techniques, were theoretically extended for analyzing active fissile mass measurements, made by a pulsed neutron source. In this study the SVM technique for pulsed neutron source is experimentally examined, for the first time. The measurements were conducted at the PUNITA facility of the Joint Research Centre in Ispra, Italy. First promising results, of mass estimation by the SVM technique using a pulsed neutron source, are presented.

  14. Molecular dynamics of nanodroplet impact: The effect of the projectile’s molecular mass on sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Saiz, Fernan [Department of Chemistry, Imperial College of Science, Technology and Medicine, South Kensington, London, SW7 2A7 (United Kingdom); Gamero-Castaño, Manuel, E-mail: mgameroc@uci.edu [Department of Mechanical and Aerospace Engineering, University of California, Irvine, California, 92697 (United States)

    2016-06-15

    The impact of electrosprayed nanodroplets on ceramics at several km/s alters the atomic order of the target, causing sputtering, surface amorphization and cratering. The molecular mass of the projectile is known to have a strong effect on the impact phenomenology, and this article aims to rationalize this dependency using molecular dynamics. To achieve this goal, the article models the impact of four projectiles with molecular masses between 45 and 391 amu, and identical diameters and kinetic energies, 10 nm and 63 keV, striking a silicon target. In agreement with experiments, the simulations show that the number of sputtered atoms strongly increases with molecular mass. This is due to the increasing intensity of collision cascades with molecular mass: when the fixed kinetic energy of the projectile is distributed among fewer, more massive molecules, their collisions with the target produce knock-on atoms with higher energies, which in turn generate more energetic and larger numbers of secondary and tertiary knock-on atoms. The more energetic collision cascades intensify both knock-on sputtering and, upon thermalization, thermal sputtering. Besides enhancing sputtering, heavier molecules also increase the fraction of the projectile’s energy that is transferred to the target, as well as the fraction of this energy that is dissipated.

  15. Molecular dynamics of nanodroplet impact: The effect of the projectile’s molecular mass on sputtering

    International Nuclear Information System (INIS)

    Saiz, Fernan; Gamero-Castaño, Manuel

    2016-01-01

    The impact of electrosprayed nanodroplets on ceramics at several km/s alters the atomic order of the target, causing sputtering, surface amorphization and cratering. The molecular mass of the projectile is known to have a strong effect on the impact phenomenology, and this article aims to rationalize this dependency using molecular dynamics. To achieve this goal, the article models the impact of four projectiles with molecular masses between 45 and 391 amu, and identical diameters and kinetic energies, 10 nm and 63 keV, striking a silicon target. In agreement with experiments, the simulations show that the number of sputtered atoms strongly increases with molecular mass. This is due to the increasing intensity of collision cascades with molecular mass: when the fixed kinetic energy of the projectile is distributed among fewer, more massive molecules, their collisions with the target produce knock-on atoms with higher energies, which in turn generate more energetic and larger numbers of secondary and tertiary knock-on atoms. The more energetic collision cascades intensify both knock-on sputtering and, upon thermalization, thermal sputtering. Besides enhancing sputtering, heavier molecules also increase the fraction of the projectile’s energy that is transferred to the target, as well as the fraction of this energy that is dissipated.

  16. Phenotyping polyclonal kappa and lambda light chain molecular mass distributions in patient serum using mass spectrometry.

    Science.gov (United States)

    Barnidge, David R; Dasari, Surendra; Ramirez-Alvarado, Marina; Fontan, Adrian; Willrich, Maria A V; Tschumper, Renee C; Jelinek, Diane F; Snyder, Melissa R; Dispenzieri, Angela; Katzmann, Jerry A; Murray, David L

    2014-11-07

    We previously described a microLC-ESI-Q-TOF MS method for identifying monoclonal immunoglobulins in serum and then tracking them over time using their accurate molecular mass. Here we demonstrate how the same methodology can be used to identify and characterize polyclonal immunoglobulins in serum. We establish that two molecular mass distributions observed by microLC-ESI-Q-TOF MS are from polyclonal kappa and lambda light chains using a combination of theoretical molecular masses from gene sequence data and the analysis of commercially available purified polyclonal IgG kappa and IgG lambda from normal human serum. A linear regression comparison of kappa/lambda ratios for 74 serum samples (25 hypergammaglobulinemia, 24 hypogammaglobulinemia, 25 normal) determined by microflowLC-ESI-Q-TOF MS and immunonephelometry had a slope of 1.37 and a correlation coefficient of 0.639. In addition to providing kappa/lambda ratios, the same microLC-ESI-Q-TOF MS analysis can determine the molecular mass for oligoclonal light chains observed above the polyclonal background in patient samples. In 2 patients with immune disorders and hypergammaglobulinemia, we observed a skewed polyclonal molecular mass distribution which translated into biased kappa/lambda ratios. Mass spectrometry provides a rapid and simple way to combine the polyclonal kappa/lambda light chain abundance ratios with the identification of dominant monoclonal as well as oligoclonal light chain immunoglobulins. We anticipate that this approach to evaluating immunoglobulin light chains will lead to improved understanding of immune deficiencies, autoimmune diseases, and antibody responses.

  17. A black-hole mass measurement from molecular gas kinematics in NGC4526.

    Science.gov (United States)

    Davis, Timothy A; Bureau, Martin; Cappellari, Michele; Sarzi, Marc; Blitz, Leo

    2013-02-21

    The masses of the supermassive black holes found in galaxy bulges are correlated with a multitude of galaxy properties, leading to suggestions that galaxies and black holes may evolve together. The number of reliably measured black-hole masses is small, and the number of methods for measuring them is limited, holding back attempts to understand this co-evolution. Directly measuring black-hole masses is currently possible with stellar kinematics (in early-type galaxies), ionized-gas kinematics (in some spiral and early-type galaxies) and in rare objects that have central maser emission. Here we report that by modelling the effect of a black hole on the kinematics of molecular gas it is possible to fit interferometric observations of CO emission and thereby accurately estimate black-hole masses. We study the dynamics of the gas in the early-type galaxy NGC 4526, and obtain a best fit that requires the presence of a central dark object of 4.5(+4.2)(-3.1) × 10(8) solar masses (3σ confidence limit). With the next-generation millimetre-wavelength interferometers these observations could be reproduced in galaxies out to 75 megaparsecs in less than 5 hours of observing time. The use of molecular gas as a kinematic tracer should thus allow one to estimate black-hole masses in hundreds of galaxies in the local Universe, many more than are accessible with current techniques.

  18. TRIMS: Validating T2 Molecular Effects for Neutrino Mass Experiments

    Science.gov (United States)

    Lin, Ying-Ting; Trims Collaboration

    2017-09-01

    The Tritium Recoil-Ion Mass Spectrometer (TRIMS) experiment examines the branching ratio of the molecular tritium (T2) beta decay to the bound state (3HeT+). Measuring this branching ratio helps to validate the current molecular final-state theory applied in neutrino mass experiments such as KATRIN and Project 8. TRIMS consists of a magnet-guided time-of-flight mass spectrometer with a detector located on each end. By measuring the kinetic energy and time-of-flight difference of the ions and beta particles reaching the detectors, we will be able to distinguish molecular ions from atomic ones and hence derive the ratio in question. We will give an update on the apparatus, simulation software, and analysis tools, including efforts to improve the resolution of our detectors and to characterize the stability and uniformity of our field sources. We will also share our commissioning results and prospects for physics data. The TRIMS experiment is supported by U.S. Department of Energy Office of Science, Office of Nuclear Physics, Award Number DE-FG02-97ER41020.

  19. Prolonged decay of molecular rate estimates for metazoan mitochondrial DNA

    Directory of Open Access Journals (Sweden)

    Martyna Molak

    2015-03-01

    Full Text Available Evolutionary timescales can be estimated from genetic data using the molecular clock, often calibrated by fossil or geological evidence. However, estimates of molecular rates in mitochondrial DNA appear to scale negatively with the age of the clock calibration. Although such a pattern has been observed in a limited range of data sets, it has not been studied on a large scale in metazoans. In addition, there is uncertainty over the temporal extent of the time-dependent pattern in rate estimates. Here we present a meta-analysis of 239 rate estimates from metazoans, representing a range of timescales and taxonomic groups. We found evidence of time-dependent rates in both coding and non-coding mitochondrial markers, in every group of animals that we studied. The negative relationship between the estimated rate and time persisted across a much wider range of calibration times than previously suggested. This indicates that, over long time frames, purifying selection gives way to mutational saturation as the main driver of time-dependent biases in rate estimates. The results of our study stress the importance of accounting for time-dependent biases in estimating mitochondrial rates regardless of the timescale over which they are inferred.

  20. A Reconciled Estimate of Ice-Sheet Mass Balance

    Science.gov (United States)

    Shepherd, Andrew; Ivins, Erik R.; Geruo, A.; Barletta, Valentia R.; Bentley, Mike J.; Bettadpur, Srinivas; Briggs, Kate H.; Bromwich, David H.; Forsberg, Rene; Galin, Natalia; hide

    2012-01-01

    We combined an ensemble of satellite altimetry, interferometry, and gravimetry data sets using common geographical regions, time intervals, and models of surface mass balance and glacial isostatic adjustment to estimate the mass balance of Earth's polar ice sheets. We find that there is good agreement between different satellite methods-especially in Greenland and West Antarctica-and that combining satellite data sets leads to greater certainty. Between 1992 and 2011, the ice sheets of Greenland, East Antarctica, West Antarctica, and the Antarctic Peninsula changed in mass by -142 plus or minus 49, +14 plus or minus 43, -65 plus or minus 26, and -20 plus or minus 14 gigatonnes year(sup -1), respectively. Since 1992, the polar ice sheets have contributed, on average, 0.59 plus or minus 0.20 millimeter year(sup -1) to the rate of global sea-level rise.

  1. Direct molecular mass determination of trehalose monomycolate from 11 species of mycobacteria by MALDI-TOF mass spectrometry.

    Science.gov (United States)

    Fujita, Yukiko; Naka, Takashi; Doi, Takeshi; Yano, Ikuya

    2005-05-01

    Direct estimation of the molecular mass of single molecular species of trehalose 6-monomycolate (TMM), a ubiquitous cell-wall component of mycobacteria, was performed by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry. When less than 1 microg TMM was analysed by MALDI-TOF mass spectrometry, quasimolecular ions [M+Na]+ of each molecular species were demonstrated and the numbers of carbons and double bonds (or cyclopropane rings) were determined. Since the introduction of oxygen atoms such as carbonyl, methoxy and ester groups yielded the appropriate shift of mass ions, the major subclasses of mycolic acid (alpha, methoxy, keto and wax ester) were identified without resorting to hydrolytic procedures. The results showed a marked difference in the molecular species composition of TMM among mycobacterial species. Unexpectedly, differing from other mycoloyl glycolipids, TMM from Mycobacterium tuberculosis showed a distinctive mass pattern, with abundant odd-carbon-numbered monocyclopropanoic (or monoenoic) alpha-mycolates besides dicyclopropanoic mycolate, ranging from C75 to C85, odd- and even-carbon-numbered methoxymycolates ranging from C83 to C94 and even- and odd-carbon-numbered ketomycolates ranging from C83 to C90. In contrast, TMM from Mycobacterium bovis (wild strain and BCG substrains) possessed even-carbon-numbered dicyclopropanoic alpha-mycolates. BCG Connaught strain lacked methoxymycolates almost completely. These results were confirmed by MALDI-TOF mass analysis of mycolic acid methyl esters liberated by alkaline hydrolysis and methylation of the original TMM. Wax ester-mycoloyl TMM molecular species were demonstrated for the first time as an intact form in the Mycobacterium avium-intracellulare group, M. phlei and M. flavescens. The M. avium-intracellulare group possessed predominantly C85 and C87 wax ester-mycoloyl TMM, while M. phlei and the rapid growers tested contained C80, C81, C82 and C83 wax ester

  2. Postmortem interval estimation: a novel approach utilizing gas chromatography/mass spectrometry-based biochemical profiling.

    Science.gov (United States)

    Kaszynski, Richard H; Nishiumi, Shin; Azuma, Takeshi; Yoshida, Masaru; Kondo, Takeshi; Takahashi, Motonori; Asano, Migiwa; Ueno, Yasuhiro

    2016-05-01

    While the molecular mechanisms underlying postmortem change have been exhaustively investigated, the establishment of an objective and reliable means for estimating postmortem interval (PMI) remains an elusive feat. In the present study, we exploit low molecular weight metabolites to estimate postmortem interval in mice. After sacrifice, serum and muscle samples were procured from C57BL/6J mice (n = 52) at seven predetermined postmortem intervals (0, 1, 3, 6, 12, 24, and 48 h). After extraction and isolation, low molecular weight metabolites were measured via gas chromatography/mass spectrometry (GC/MS) and examined via semi-quantification studies. Then, PMI prediction models were generated for each of the 175 and 163 metabolites identified in muscle and serum, respectively, using a non-linear least squares curve fitting program. A PMI estimation panel for muscle and serum was then erected which consisted of 17 (9.7%) and 14 (8.5%) of the best PMI biomarkers identified in muscle and serum profiles demonstrating statistically significant correlations between metabolite quantity and PMI. Using a single-blinded assessment, we carried out validation studies on the PMI estimation panels. Mean ± standard deviation for accuracy of muscle and serum PMI prediction panels was -0.27 ± 2.88 and -0.89 ± 2.31 h, respectively. Ultimately, these studies elucidate the utility of metabolomic profiling in PMI estimation and pave the path toward biochemical profiling studies involving human samples.

  3. Relationship between body mass, lean mass, fat mass, and limb bone cross-sectional geometry: Implications for estimating body mass and physique from the skeleton.

    Science.gov (United States)

    Pomeroy, Emma; Macintosh, Alison; Wells, Jonathan C K; Cole, Tim J; Stock, Jay T

    2018-05-01

    Estimating body mass from skeletal dimensions is widely practiced, but methods for estimating its components (lean and fat mass) are poorly developed. The ability to estimate these characteristics would offer new insights into the evolution of body composition and its variation relative to past and present health. This study investigates the potential of long bone cross-sectional properties as predictors of body, lean, and fat mass. Humerus, femur and tibia midshaft cross-sectional properties were measured by peripheral quantitative computed tomography in sample of young adult women (n = 105) characterized by a range of activity levels. Body composition was estimated from bioimpedance analysis. Lean mass correlated most strongly with both upper and lower limb bone properties (r values up to 0.74), while fat mass showed weak correlations (r ≤ 0.29). Estimation equations generated from tibial midshaft properties indicated that lean mass could be estimated relatively reliably, with some improvement using logged data and including bone length in the models (minimum standard error of estimate = 8.9%). Body mass prediction was less reliable and fat mass only poorly predicted (standard errors of estimate ≥11.9% and >33%, respectively). Lean mass can be predicted more reliably than body mass from limb bone cross-sectional properties. The results highlight the potential for studying evolutionary trends in lean mass from skeletal remains, and have implications for understanding the relationship between bone morphology and body mass or composition. © 2018 The Authors. American Journal of Physical Anthropology Published by Wiley Periodicals, Inc.

  4. Estimating RMR Values for Underground Excavations in a Rock Mass

    Directory of Open Access Journals (Sweden)

    Vítor Santos

    2018-02-01

    Full Text Available During underground excavations for civil or mining engineering purposes, the variations in rock mass quality are important, especially for the design of the most suitable support to be applied to ensure stability. The aim of this investigation is to model the expected behavior of the ground, and thus to predict the scenarios indicating potential variations in the quality of the rock mass during underground excavation. When considering the rock mass rating (RMR values observed at the excavation face in six study cases, which together total more than 27 km in length of underground excavation by drilling and blasting (D&B, and based on the observed RMR values at the face, the most probable value (1–100 is estimate for the RMR index at the five subsequent front advances. It is concluded that, up to about 20 m ahead of the current face, the quality of the rock mass for the next advances is close to the quality observed at the present face, and that, with increasing distance, there is a greater deviation of RMR values with respect to the quality observed at the current face.

  5. Tensile rock mass strength estimated using InSAR

    KAUST Repository

    Jonsson, Sigurjon

    2012-11-01

    The large-scale strength of rock is known to be lower than the strength determined from small-scale samples in the laboratory. However, it is not well known how strength scales with sample size. I estimate kilometer-scale tensional rock mass strength by measuring offsets across new tensional fractures (joints), formed above a shallow magmatic dike intrusion in western Arabia in 2009. I use satellite radar observations to derive 3D ground displacements and by quantifying the extension accommodated by the joints and the maximum extension that did not result in a fracture, I put bounds on the joint initiation threshold of the surface rocks. The results indicate that the kilometer-scale tensile strength of the granitic rock mass is 1–3 MPa, almost an order of magnitude lower than typical laboratory values.

  6. Tensile rock mass strength estimated using InSAR

    KAUST Repository

    Jonsson, Sigurjon

    2012-01-01

    The large-scale strength of rock is known to be lower than the strength determined from small-scale samples in the laboratory. However, it is not well known how strength scales with sample size. I estimate kilometer-scale tensional rock mass strength by measuring offsets across new tensional fractures (joints), formed above a shallow magmatic dike intrusion in western Arabia in 2009. I use satellite radar observations to derive 3D ground displacements and by quantifying the extension accommodated by the joints and the maximum extension that did not result in a fracture, I put bounds on the joint initiation threshold of the surface rocks. The results indicate that the kilometer-scale tensile strength of the granitic rock mass is 1–3 MPa, almost an order of magnitude lower than typical laboratory values.

  7. Asteroid mass estimation with Markov-chain Monte Carlo

    Science.gov (United States)

    Siltala, Lauri; Granvik, Mikael

    2017-10-01

    Estimates for asteroid masses are based on their gravitational perturbations on the orbits of other objects such as Mars, spacecraft, or other asteroids and/or their satellites. In the case of asteroid-asteroid perturbations, this leads to a 13-dimensional inverse problem at minimum where the aim is to derive the mass of the perturbing asteroid and six orbital elements for both the perturbing asteroid and the test asteroid by fitting their trajectories to their observed positions. The fitting has typically been carried out with linearized methods such as the least-squares method. These methods need to make certain assumptions regarding the shape of the probability distributions of the model parameters. This is problematic as these assumptions have not been validated. We have developed a new Markov-chain Monte Carlo method for mass estimation which does not require an assumption regarding the shape of the parameter distribution. Recently, we have implemented several upgrades to our MCMC method including improved schemes for handling observational errors and outlier data alongside the option to consider multiple perturbers and/or test asteroids simultaneously. These upgrades promise significantly improved results: based on two separate results for (19) Fortuna with different test asteroids we previously hypothesized that simultaneous use of both test asteroids would lead to an improved result similar to the average literature value for (19) Fortuna with substantially reduced uncertainties. Our upgraded algorithm indeed finds a result essentially equal to the literature value for this asteroid, confirming our previous hypothesis. Here we show these new results for (19) Fortuna and other example cases, and compare our results to previous estimates. Finally, we discuss our plans to improve our algorithm further, particularly in connection with Gaia.

  8. Improved estimates of coordinate error for molecular replacement

    International Nuclear Information System (INIS)

    Oeffner, Robert D.; Bunkóczi, Gábor; McCoy, Airlie J.; Read, Randy J.

    2013-01-01

    A function for estimating the effective root-mean-square deviation in coordinates between two proteins has been developed that depends on both the sequence identity and the size of the protein and is optimized for use with molecular replacement in Phaser. A top peak translation-function Z-score of over 8 is found to be a reliable metric of when molecular replacement has succeeded. The estimate of the root-mean-square deviation (r.m.s.d.) in coordinates between the model and the target is an essential parameter for calibrating likelihood functions for molecular replacement (MR). Good estimates of the r.m.s.d. lead to good estimates of the variance term in the likelihood functions, which increases signal to noise and hence success rates in the MR search. Phaser has hitherto used an estimate of the r.m.s.d. that only depends on the sequence identity between the model and target and which was not optimized for the MR likelihood functions. Variance-refinement functionality was added to Phaser to enable determination of the effective r.m.s.d. that optimized the log-likelihood gain (LLG) for a correct MR solution. Variance refinement was subsequently performed on a database of over 21 000 MR problems that sampled a range of sequence identities, protein sizes and protein fold classes. Success was monitored using the translation-function Z-score (TFZ), where a TFZ of 8 or over for the top peak was found to be a reliable indicator that MR had succeeded for these cases with one molecule in the asymmetric unit. Good estimates of the r.m.s.d. are correlated with the sequence identity and the protein size. A new estimate of the r.m.s.d. that uses these two parameters in a function optimized to fit the mean of the refined variance is implemented in Phaser and improves MR outcomes. Perturbing the initial estimate of the r.m.s.d. from the mean of the distribution in steps of standard deviations of the distribution further increases MR success rates

  9. Estimation of brassylic acid by gas chromatography-mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Mohammed J. Nasrullah, Erica N. Pfarr, Pooja Thapliyal, Nicholas S. Dusek, Kristofer L. Schiele, Christy Gallagher-Lein, and James A. Bahr

    2010-10-29

    The main focus of this work is to estimate Brassylic Acid (BA) using gas chromatography-mass spectrometry (GC-MS). BA is a product obtained from the oxidative cleavage of Erucic Acid (EA). BA has various applications for making nylons and high performance polymers. BA is a 13 carbon compound with two carboxylic acid functional groups at the terminal end. BA has a long hydrocarbon chain that makes the molecule less sensitive to some of the characterization techniques. Although BA can be characterized by NMR, both the starting material (EA) and products BA and nonanoic acid (NA) have peaks at similar {delta}, ppm values. Hence it becomes difficult for the quick estimation of BA during its synthesis.

  10. Advances in Time Estimation Methods for Molecular Data.

    Science.gov (United States)

    Kumar, Sudhir; Hedges, S Blair

    2016-04-01

    Molecular dating has become central to placing a temporal dimension on the tree of life. Methods for estimating divergence times have been developed for over 50 years, beginning with the proposal of molecular clock in 1962. We categorize the chronological development of these methods into four generations based on the timing of their origin. In the first generation approaches (1960s-1980s), a strict molecular clock was assumed to date divergences. In the second generation approaches (1990s), the equality of evolutionary rates between species was first tested and then a strict molecular clock applied to estimate divergence times. The third generation approaches (since ∼2000) account for differences in evolutionary rates across the tree by using a statistical model, obviating the need to assume a clock or to test the equality of evolutionary rates among species. Bayesian methods in the third generation require a specific or uniform prior on the speciation-process and enable the inclusion of uncertainty in clock calibrations. The fourth generation approaches (since 2012) allow rates to vary from branch to branch, but do not need prior selection of a statistical model to describe the rate variation or the specification of speciation model. With high accuracy, comparable to Bayesian approaches, and speeds that are orders of magnitude faster, fourth generation methods are able to produce reliable timetrees of thousands of species using genome scale data. We found that early time estimates from second generation studies are similar to those of third and fourth generation studies, indicating that methodological advances have not fundamentally altered the timetree of life, but rather have facilitated time estimation by enabling the inclusion of more species. Nonetheless, we feel an urgent need for testing the accuracy and precision of third and fourth generation methods, including their robustness to misspecification of priors in the analysis of large phylogenies and data

  11. Low molecular weight components in an aquatic humic substance as characterized by membrane dialysis and orbitrap mass spectrometry.

    Science.gov (United States)

    Remucal, Christina K; Cory, Rose M; Sander, Michael; McNeill, Kristopher

    2012-09-04

    Suwannee River fulvic acid (SRFA) was dialyzed through a 100-500 molecular weight cutoff dialysis membrane, and the dialysate and retentate were analyzed by UV-visible absorption and high-resolution Orbitrap mass spectrometry (MS). A significant fraction (36% based on dissolved organic carbon) of SRFA passed through the dialysis membrane. The fraction of SRFA in the dialysate had a different UV-visible absorption spectrum and was enriched in low molecular weight molecules with a more aliphatic composition relative to the initial SRFA solution. Comparison of the SRFA spectra collected by Orbitrap MS and Fourier transform ion cyclotron resonance MS (FT-ICR MS) demonstrated that the mass accuracy of the Orbitrap MS is sufficient for determination of unique molecular formulas of compounds with masses masses detected by Orbitrap MS were found in the 100-200 Da mass range. Many of these low molecular masses corresponded to molecular formulas of previously identified compounds in organic matter, lignin, and plants, and the use of the standard addition method provided an upper concentration estimate of selected target compounds in SRFA. Collectively, these results provide evidence that SRFA contains low molecular weight components that are present individually or in loosely bound assemblies.

  12. Gas chromatography-mass spectrometry with supersonic molecular beams.

    Science.gov (United States)

    Amirav, Aviv; Gordin, Alexander; Poliak, Marina; Fialkov, Alexander B

    2008-02-01

    Gas chromatography-mass spectrometry (GC-MS) with supersonic molecular beams (SMBs) (also named Supersonic GC-MS) is based on GC and MS interface with SMBs and on the electron ionization (EI) of vibrationally cold analytes in the SMBs (cold EI) in a fly-through ion source. This ion source is inherently inert and further characterized by fast response and vacuum background filtration capability. The same ion source offers three modes of ionization including cold EI, classical EI and cluster chemical ionization (CI). Cold EI, as a main mode, provides enhanced molecular ions combined with an effective library sample identification, which is supplemented and complemented by a powerful isotope abundance analysis method and software. The range of low-volatility and thermally labile compounds amenable for analysis is significantly increased owing to the use of the contact-free, fly-through ion source and the ability to lower sample elution temperatures through the use of high column carrier gas flow rates. Effective, fast GC-MS is enabled particularly owing to the possible use of high column flow rates and improved system selectivity in view of the enhancement of the molecular ion. This fast GC-MS with SMB can be further improved via the added selectivity of MS-MS, which by itself benefits from the enhancement of the molecular ion, the most suitable parent ion for MS-MS. Supersonic GC-MS is characterized by low limits of detection (LOD), and its sensitivity is superior to that of standard GC-MS, particularly for samples that are hard for analysis. The GC separation of the Supersonic GC-MS can be improved with pulsed flow modulation (PFM) GC x GC-MS. Electron ionization LC-MS with SMB can also be combined with the Supersonic GC-MS, with fast and easy switching between these two modes of operation. (c) 2008 John Wiley & Sons, Ltd.

  13. Estimating Arrhenius parameters using temperature programmed molecular dynamics

    International Nuclear Information System (INIS)

    Imandi, Venkataramana; Chatterjee, Abhijit

    2016-01-01

    Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight various aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.

  14. Estimating Arrhenius parameters using temperature programmed molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Imandi, Venkataramana; Chatterjee, Abhijit, E-mail: abhijit@che.iitb.ac.in [Department of Chemical Engineering, Indian Institute of Technology Bombay, Mumbai 400076 (India)

    2016-07-21

    Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight various aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.

  15. Estimation of population doses from chest mass screening, 1975

    International Nuclear Information System (INIS)

    Hashizume, Tadashi; Maruyama, Takashi

    1977-01-01

    The population doses in mass photofluorography of the chest were estimated on the basis of nation-wide radiological survey. A total frequency of photofluorographic examinations for the chest mass survey was 18.3 million for males and 15.0 million for females, with a total of 33.3 million. Mass surveys of the chest during the school age are carried out only at the time of admission into the primary school (5 or 6 years old) and at the second class of the junior high school (13 or 14 years old). The gonad doses were determined with an ionization chamber placed at the position of gonad in tissue-equivalent phantoms. The active bone marrow was subdivided into 72 elements. The dose contribution to the marrow arising from the particular exposure conditions was calculated at each site within the elements, using the depth-dose curves experimentally determined and the proportion of the total active bone marrow present at that site. The resultant genetically significant dose for males and females was 0.07 and 0.025 mrad per person per year, respectively, with a total of 0.032 mrad per person per year. The per Caput mean marrow dose for male and female was 5.5 and 4.2 mrad per year, respectively, with a total of 9.7 mrad per year. The leukemia significant dose was calculated from the per Caput mean marrow dose by adopting weighting factor, that is leukemia significant factor. The resultant leukemia significant factor for male and female was 5.2 and 4.1 mrad per person per year, respectively. (auth.)

  16. Classical electron ionization mass spectra in gas chromatography/mass spectrometry with supersonic molecular beams.

    Science.gov (United States)

    Gordin, Alexander; Fialkov, Alexander B; Amirav, Aviv

    2008-09-01

    A major benefit of gas chromatography/mass spectrometry (GC/MS) with a supersonic molecular beam (SMB) interface and its fly-through ion source is the ability to obtain electron ionization of vibrationally cold molecules (cold EI), which show enhanced molecular ions. However, GC/MS with an SMB also has the flexibility to perform 'classical EI' mode of operation which provides mass spectra to mimic those in commercial 70 eV electron ionization MS libraries. Classical EI in SMB is obtained through simple reduction of the helium make-up gas flow rate, which reduces the SMB cooling efficiency; hence the vibrational temperatures of the molecules are similar to those in traditional EI ion sources. In classical EI-SMB mode, the relative abundance of the molecular ion can be tuned and, as a result, excellent identification probabilities and very good matching factors to the NIST MS library are obtained. Classical EI-SMB with the fly-through dual cage ion source has analyte sensitivity similar to that of the standard EI ion source of a basic GC/MS system. The fly-through EI ion source in combination with the SMB interface can serve for cold EI, classical EI-SMB, and cluster chemical ionization (CCI) modes of operation, all easily exchangeable through a simple and quick change (not involving hardware). Furthermore, the fly-through ion source eliminates sample scattering from the walls of the ion source, and thus it offers full sample inertness, tailing-free operation, and no ion-molecule reaction interferences. It is also robust and enables increased column flow rate capability without affecting the sensitivity.

  17. Estimating precise metallicity and stellar mass evolution of galaxies

    Science.gov (United States)

    Mosby, Gregory

    2018-01-01

    The evolution of galaxies can be conveniently broken down into the evolution of their contents. The changing dust, gas, and stellar content in addition to the changing dark matter potential and periodic feedback from a super-massive blackhole are some of the key ingredients. We focus on the stellar content that can be observed, as the stars reflect information about the galaxy when they were formed. We approximate the stellar content and star formation histories of unresolved galaxies using stellar population modeling. Though simplistic, this approach allows us to reconstruct the star formation histories of galaxies that can be used to test models of galaxy formation and evolution. These models, however, suffer from degeneracies at large lookback times (t > 1 Gyr) as red, low luminosity stars begin to dominate a galaxy’s spectrum. Additionally, degeneracies between stellar populations at different ages and metallicities often make stellar population modeling less precise. The machine learning technique diffusion k-means has been shown to increase the precision in stellar population modeling using a mono-metallicity basis set. However, as galaxies evolve, we expect the metallicity of stellar populations to vary. We use diffusion k-means to generate a multi-metallicity basis set to estimate the stellar mass and chemical evolution of unresolved galaxies. Two basis sets are formed from the Bruzual & Charlot 2003 and MILES stellar population models. We then compare the accuracy and precision of these models in recovering complete (stellar mass and metallicity) histories of mock data. Similarities in the groupings of stellar population spectra in the diffusion maps for each metallicity hint at fundamental age transitions common to both basis sets that can be used to identify stellar populations in a given age range.

  18. Estimation of population doses from stomach mass screening, 1975

    Energy Technology Data Exchange (ETDEWEB)

    Hashizume, T; Kato, Y; Maruyama, T [National Inst. of Radiological Sciences, Chiba (Japan); Kamata, R; Urahashi, S

    1977-06-01

    The population dose from mass photofluorography of stomach have been estimated on the basis of nation wide radiological survey. The number of photofluorographic examinations was 2.38 million for male and 1.74 million for female, with a total of 4.12 million. The gonad doses were determined with an ionization chamber, using a tissue equivalent phantom. The gonad dose for male was 10.4 mrad per examination and for female was 150 mrad per examination. The active bone marrow doses at 32 points of bone marrow in the whole body were measured with thermoluminescent dosimeter. The mean marrow dose per photofluorographic examination was 450 mrad for male and 390 mrad for female. The child expectancy factor and the leukemia significant factor were calculated based on the Vital Statistics 1975. The genetically significant dose (GSD) and per caput mean marrow dose (CMD) were calculated by the formulae presented from the United Nations Scientific Comittee of Effects of Atomic Radiation (UNSCEAR). The resultant GSD was 0.15 mrad per person per year. The CMD was 16.5 mrad per person per year. The leukemia significant dose (LSD) was determined by adopting a weight factor, that is leukemia significant factor. The resultant LSD was 14.5 mrad per person per year. These population doses were compared with those from diagnostic medical x-ray examinations in 1974.

  19. Molecular Communication over Gas Stream Channels using Portable Mass Spectrometry.

    Science.gov (United States)

    Giannoukos, Stamatios; Marshall, Alan; Taylor, Stephen; Smith, Jeremy

    2017-11-01

    The synthetic generation/coding and transmission of olfactory information over a gas stream or an odor network is a new and unexplored field. Application areas vary from the entertainment or advertisement industry to security and telemedicine. However, current technological limitations frustrate the accurate reproduction of decoded and transmitted olfactory data. This study describes the development, testing, and characterization of a novel odor emitter (OE) that is used to investigate the generation-encoding of gaseous standards with odorous characteristics with a regulatable way, for scent transmission purposes. The calibration and the responses of a developed OE were examined using a portable quadrupole mass spectrometer (MS). Experiments were undertaken for a range of volatile organic compounds (VOCs) at different temperatures and flow rates. Individual compounds and mixtures were tested to investigate periodic and dynamic transmission characteristics within two different size tubular containers for distances up to 3 m. Olfactory information transmission is demonstrated using MS as the main molecular sensor for odor detection and monitoring and for the first time spatial encryption of olfactory information is shown. Graphical Abstract ᅟ.

  20. Molecular Communication over Gas Stream Channels using Portable Mass Spectrometry

    Science.gov (United States)

    Giannoukos, Stamatios; Marshall, Alan; Taylor, Stephen; Smith, Jeremy

    2017-07-01

    The synthetic generation/coding and transmission of olfactory information over a gas stream or an odor network is a new and unexplored field. Application areas vary from the entertainment or advertisement industry to security and telemedicine. However, current technological limitations frustrate the accurate reproduction of decoded and transmitted olfactory data. This study describes the development, testing, and characterization of a novel odor emitter (OE) that is used to investigate the generation-encoding of gaseous standards with odorous characteristics with a regulatable way, for scent transmission purposes. The calibration and the responses of a developed OE were examined using a portable quadrupole mass spectrometer (MS). Experiments were undertaken for a range of volatile organic compounds (VOCs) at different temperatures and flow rates. Individual compounds and mixtures were tested to investigate periodic and dynamic transmission characteristics within two different size tubular containers for distances up to 3 m. Olfactory information transmission is demonstrated using MS as the main molecular sensor for odor detection and monitoring and for the first time spatial encryption of olfactory information is shown.

  1. Dissecting plasmodesmata molecular composition by mass spectrometry-based proteomics.

    Directory of Open Access Journals (Sweden)

    Emmanuelle Maria Françoise Bayer

    2013-01-01

    Full Text Available In plants, the intercellular communication through the membranous channels called plasmodesmata (PD; singular plasmodesma plays pivotal roles in the orchestration of development, defence responses and viral propagation. PD are dynamic structures embedded in the plant cell wall that are defined by specialised domains of the endoplasmic reticulum and the plasma membrane. PD structure and unique functions are guaranteed by their particular molecular composition. Yet, up to recent years and despite numerous approaches such as mutant screens, immunolocalisation or screening of random cDNAs, only few PD proteins had been conclusively identified and characterised. A clear breakthrough in the search of PD constituents came from mass-spectrometry-based proteomic approaches coupled with subcellular fractionation strategies. Due to their position, firmly anchored in the extracellular matrix, PD are notoriously difficult to isolate for biochemical analysis. Proteomic-based approaches have therefore first relied on the use of cell wall fractions containing embedded PD then on free PD fractions whereby PD membranes were released from the walls by enzymatic degradation. To discriminate between likely contaminants and PD protein candidates, bioinformatics tools have often been used in combination with proteomic approaches. GFP fusion proteins of selected candidates have confirmed the PD association of several protein families. Here we review the accomplishments and limitations of the proteomic based strategies to unravel the functional and structural complexity of PD. We also discuss the role of the identified PD associated proteins.

  2. Dissecting plasmodesmata molecular composition by mass spectrometry-based proteomics.

    Science.gov (United States)

    Salmon, Magali S; Bayer, Emmanuelle M F

    2012-01-01

    In plants, the intercellular communication through the membranous channels called plasmodesmata (PD; singular plasmodesma) plays pivotal roles in the orchestration of development, defence responses, and viral propagation. PD are dynamic structures embedded in the plant cell wall that are defined by specialized domains of the endoplasmic reticulum (ER) and the plasma membrane (PM). PD structure and unique functions are guaranteed by their particular molecular composition. Yet, up to recent years and despite numerous approaches such as mutant screens, immunolocalization, or screening of random cDNAs, only few PD proteins had been conclusively identified and characterized. A clear breakthrough in the search of PD constituents came from mass-spectrometry-based proteomic approaches coupled with subcellular fractionation strategies. Due to their position, firmly anchored in the extracellular matrix, PD are notoriously difficult to isolate for biochemical analysis. Proteomic-based approaches have therefore first relied on the use of cell wall fractions containing embedded PD then on "free" PD fractions whereby PD membranes were released from the walls by enzymatic degradation. To discriminate between likely contaminants and PD protein candidates, bioinformatics tools have often been used in combination with proteomic approaches. GFP fusion proteins of selected candidates have confirmed the PD association of several protein families. Here we review the accomplishments and limitations of the proteomic-based strategies to unravel the functional and structural complexity of PD. We also discuss the role of the identified PD-associated proteins.

  3. Size and shape of soil humic acids estimated by viscosity and molecular weight.

    Science.gov (United States)

    Kawahigashi, Masayuki; Sumida, Hiroaki; Yamamoto, Kazuhiko

    2005-04-15

    Ultrafiltration fractions of three soil humic acids were characterized by viscometry and high performance size-exclusion chromatography (HPSEC) in order to estimate shapes and hydrodynamic sizes. Intrinsic viscosities under given solute/solvent/temperature conditions were obtained by extrapolating the concentration dependence of reduced viscosities to zero concentration. Molecular mass (weight average molecular weight (M (w)) and number average molecular weight (M (n))) and hydrodynamic radius (R(H)) were determined by HPSEC using pullulan as calibrant. Values of M (w) and M (n) ranged from 15 to 118 x 10(3) and from 9 to 50 x 10(3) (g mol(-1)), respectively. Polydispersity, as indicated by M (w)/M (n), increased with increasing filter size from 1.5 to 2.4. The hydrodynamic radii (R(H)) ranged between 2.2 and 6.4 nm. For each humic acid, M (w) and [eta] were related. Mark-Houwink coefficients calculated on the basis of the M (w)-[eta] relationships suggested restricted flexible chains for two of the humic acids and a branched structure for the third humic acid. Those structures probably behave as hydrated sphere colloids in a good solvent. Hydrodynamic radii of fractions calculated from [eta] using Einstein's equation, which is applicable to hydrated sphere colloids, ranged from 2.2 to 7.1 nm. These dimensions are fit to the size of nanospaces on and between clay minerals and micropores in soil particle aggregates. On the other hand, the good agreement of R(H) values obtained by applying Einstein's equation with those directly determined by HPSEC suggests that pullulan is a suitable calibrant for estimation of molecular mass and size of humic acids by HPSEC.

  4. The relative impact of baryons and cluster shape on weak lensing mass estimates of galaxy clusters

    Science.gov (United States)

    Lee, B. E.; Le Brun, A. M. C.; Haq, M. E.; Deering, N. J.; King, L. J.; Applegate, D.; McCarthy, I. G.

    2018-05-01

    Weak gravitational lensing depends on the integrated mass along the line of sight. Baryons contribute to the mass distribution of galaxy clusters and the resulting mass estimates from lensing analysis. We use the cosmo-OWLS suite of hydrodynamic simulations to investigate the impact of baryonic processes on the bias and scatter of weak lensing mass estimates of clusters. These estimates are obtained by fitting NFW profiles to mock data using MCMC techniques. In particular, we examine the difference in estimates between dark matter-only runs and those including various prescriptions for baryonic physics. We find no significant difference in the mass bias when baryonic physics is included, though the overall mass estimates are suppressed when feedback from AGN is included. For lowest-mass systems for which a reliable mass can be obtained (M200 ≈ 2 × 1014M⊙), we find a bias of ≈-10 per cent. The magnitude of the bias tends to decrease for higher mass clusters, consistent with no bias for the most massive clusters which have masses comparable to those found in the CLASH and HFF samples. For the lowest mass clusters, the mass bias is particularly sensitive to the fit radii and the limits placed on the concentration prior, rendering reliable mass estimates difficult. The scatter in mass estimates between the dark matter-only and the various baryonic runs is less than between different projections of individual clusters, highlighting the importance of triaxiality.

  5. Mass transfer of SCWO processes: Molecular diffusion and mass transfer coefficients of inorganic nitrate species in sub- and supercritical water

    Energy Technology Data Exchange (ETDEWEB)

    Goemans, M.G.E.; Gloyna, E.F. [Univ. of Texas, Austin, TX (United States). Dept. of Civil Engineering; Buelow, S.J. [Los Alamos National Lab., NM (United States)

    1996-04-01

    Molecular diffusion coefficients of lithium-, sodium-, potassium-, cesium-, calcium-, and strontium nitrate in subcritical water were determined by analysis of Taylor dispersion profiles. Pressures ranged from 300 to 500 bar at temperatures ranging from 25{degrees}C to 300{degrees}C. The reported diffusion values were determined at infinite dilution. Molecular diffusion coefficients were 10 to 20 times faster in near-critical subcritical water than in water at ambient temperature and pressure (ATP). These findings implied that the diffusion rates were more liquid like than they were gas like, hence experimental results were correlated with diffusion models for liquids. The subcritical diffusion data presented in this work, and supercritical diffusion results published elsewhere were correlated with hydrodynamic diffusion equations. Both the Wilke-Chang correlation and the Stokes-Einstein equation yielded predictions within 10% of the experimental results if the structure of the diffusing species could be estimated. The effect of the increased diffusion rates on mass transfer rates in supercritical water oxidation applications was quantified, with emphasis on heterogeneous oxidation processes. This study and results published elsewhere showed that diffusion limited conditions are much more likely to be encountered in SCWO processes than commonly acknowledged.

  6. The influence of extruded starch molecular mass on the properties of extruded thermoplastic starch

    NARCIS (Netherlands)

    Soest, van J.J.G.; Benes, K.; Wit, de D.; Vliegenthart, J.F.G.

    1996-01-01

    The mechanical properties of a low and a high molecular mass thermoplastic starch (TPS) were monitored at water contents in the range of 5-30% (w/w). The granular starches were plasticized by extrusion processing with glycerol and water. The low molecular mass starch was prepared by partial acid

  7. The influence of starch molecular mass on the properties of extruded thermoplastic starch

    NARCIS (Netherlands)

    Vliegenthart, J.F.G.; Soest, J.J.G. van; Benes, K.; Wit, D. de

    1996-01-01

    The mechanical properties of a low and a high molecular mass thermoplastic starch (TPS) were monitored at water contents in the range of 5–30% (w/w). The granular starches were plasticized by extrusion processing with glycerol and water. The low molecular mass starch was prepared by partial acid

  8. MOLECULAR OUTFLOWS IN THE SUBSTELLAR DOMAIN: MILLIMETER OBSERVATIONS OF YOUNG VERY LOW MASS OBJECTS IN TAURUS AND ρ OPHIUCHI

    International Nuclear Information System (INIS)

    Ngoc Phan-Bao; Lee, Chin-Fei; Ho, Paul T. P.; Tang, Ya-Wen

    2011-01-01

    We report here our search for molecular outflows from young very low mass stars and brown dwarfs in Taurus and ρ Ophiuchi. Using the Submillimeter Array and the Combined Array for Research in Millimeter-wave Astronomy, we have observed four targets at 1.3 mm wavelength (230 GHz) to search for CO J = 2 → 1 outflows. A young very low mass star MHO 5 (in Taurus) with an estimated mass of 90 M J , which is just above the hydrogen-burning limit, shows two gas lobes that are likely outflows. While the CO map of MHO 5 does not show a clear structure of outflow, possibly due to environment gas, its position-velocity diagram indicates two distinct blue- and redshifted components. We therefore conclude that they are components of a bipolar molecular outflow from MHO 5. We estimate an outflow mass of 7.0 x 10 -5 M sun and a mass-loss rate of 9.0 x 10 -10 M sun . These values are over two orders of magnitude smaller than the typical ones for T Tauri stars and somewhat weaker than those we have observed in the young brown dwarf ISO-Oph 102 of 60 M J in ρ Ophiuchi. This makes MHO 5 the first young very low mass star showing a bipolar molecular outflow in Taurus. The detection boosts the scenario that very low mass objects form like low-mass stars but in a version scaled down by a factor of over 100.

  9. Atmospheric pressure plasma analysis by modulated molecular beam mass spectrometry

    NARCIS (Netherlands)

    Aranda Gonzalvo, Y.; Whitmore, T.D.; Rees, J.A.; Seymour, D.L.; Stoffels - Adamowicz, E.

    2006-01-01

    Fractional no. d. measurements for a radiofrequency plasma needle operating at atm. pressure were obtained using a mol. beam mass spectrometer (MBMS) system designed for diagnostics of atm. plasmas. The MBMS system comprises three differentially pumped stages and a mass/energy analyzer and includes

  10. Estimates of Particulate Mass in Multi-Canister Overpacks

    International Nuclear Information System (INIS)

    SLOUGHTER, J.P.

    2000-01-01

    High, best estimate, and low values are developed for particulate inventories within MCO baskets that have been loaded with freshly cleaned fuel assemblies and scrap. These per-basket estimates are then applied to all anticipated MCO payload configurations to identify which configurations are bounding for each type of particulate. Finally the resulting bounding and nominal values for residual particulates are combined with corresponding values [from other documents] for particulates that may be generated by corrosion of exposed uranium after the fuel has been cleaned. The resulting rounded nominal estimate for a typical MCO after 40 years of storage is 8 kg. The estimate for a bounding total particulate case MCO is that it may contain up to 64 kg of particulate after 40 years of storage

  11. Estimates of particulate mass in multi-canister overpacks

    International Nuclear Information System (INIS)

    SLOUGHTER, J.P.

    1999-01-01

    High, best estimate, and low values are developed for particulate inventories within MCO baskets that have been loaded with freshly cleaned fuel assemblies and scrap. These per-basket estimates are then applied to all anticipated MCO payload configurations to identify which configurations are bounding for each type of particulate. Finally the resulting bounding and nominal values for residual particulates are combined with corresponding values [from other documents] for particulate that may be generated by corrosion of exposed uranium after the fuel has been cleaned. The resulting rounded nominal estimate for a typical MCO after 40 years of storage is 8 kg. The estimate for a bounding total particulate case MCO is that it may contain up to 64 kg of particulate after 40 years of storage

  12. Estimates of particulate mass in multi-canister overpacks

    Energy Technology Data Exchange (ETDEWEB)

    SLOUGHTER, J.P.

    1999-02-25

    High, best estimate, and low values are developed for particulate inventories within MCO baskets that have been loaded with freshly cleaned fuel assemblies and scrap. These per-basket estimates are then applied to all anticipated MCO payload configurations to identify which configurations are bounding for each type of particulate. Finally the resulting bounding and nominal values for residual particulates are combined with corresponding values [from other documents] for particulate that may be generated by corrosion of exposed uranium after the fuel has been cleaned. The resulting rounded nominal estimate for a typical MCO after 40 years of storage is 8 kg. The estimate for a bounding total particulate case MCO is that it may contain up to 64 kg of particulate after 40 years of storage.

  13. Total molecular gas masses of Planck - Herschel selected strongly lensed hyper luminous infrared galaxies

    Science.gov (United States)

    Harrington, K. C.; Yun, M. S.; Magnelli, B.; Frayer, D. T.; Karim, A.; Weiß, A.; Riechers, D.; Jiménez-Andrade, E. F.; Berman, D.; Lowenthal, J.; Bertoldi, F.

    2018-03-01

    We report the detection of CO(1-0) line emission from seven Planck and Herschel selected hyper luminous ({L_{IR (8-1000{μ m})} > 10^{13} L_{⊙}) infrared galaxies with the Green Bank Telescope (GBT). CO(1-0) measurements are a vital tool to trace the bulk molecular gas mass across all redshifts. Our results place tight constraints on the total gas content of these most apparently luminous high-z star-forming galaxies (apparent IR luminosities of LIR > 1013 - 14 L⊙), while we confirm their predetermined redshifts measured using the Large Millimeter Telescope, LMT (zCO = 1.33-3.26). The CO(1-0) lines show similar profiles as compared to Jup = 2-4 transitions previously observed with the LMT. We report enhanced infrared to CO line luminosity ratios of = 110 ± 22 L_{⊙} (K km s^{-1} pc^{-2})^{-1} compared to normal star-forming galaxies, yet similar to those of well-studied IR-luminous galaxies at high-z. We find average brightness temperature ratios of 〈 r21〉 = 0.93 (2 sources), 〈 r31〉 = 0.34 (5 sources), and 〈 r41〉 = 0.18 (1 source). The r31 and r41 values are roughly half the average values for SMGs. We estimate the total gas mass content as {μ M_{H2} = (0.9-27.2) × 10^{11} (α _CO/0.8) M_{⊙}, where μ is the magnification factor and αCO is the CO line luminosity to molecular hydrogen gas mass conversion factor. The rapid gas depletion times, = 80} Myr, reveal vigorous starburst activity, and contrast the Gyr depletion time-scales observed in local, normal star-forming galaxies.

  14. A Probabilistic Mass Estimation Algorithm for a Novel 7- Channel Capacitive Sample Verification Sensor

    Science.gov (United States)

    Wolf, Michael

    2012-01-01

    A document describes an algorithm created to estimate the mass placed on a sample verification sensor (SVS) designed for lunar or planetary robotic sample return missions. A novel SVS measures the capacitance between a rigid bottom plate and an elastic top membrane in seven locations. As additional sample material (soil and/or small rocks) is placed on the top membrane, the deformation of the membrane increases the capacitance. The mass estimation algorithm addresses both the calibration of each SVS channel, and also addresses how to combine the capacitances read from each of the seven channels into a single mass estimate. The probabilistic approach combines the channels according to the variance observed during the training phase, and provides not only the mass estimate, but also a value for the certainty of the estimate. SVS capacitance data is collected for known masses under a wide variety of possible loading scenarios, though in all cases, the distribution of sample within the canister is expected to be approximately uniform. A capacitance-vs-mass curve is fitted to this data, and is subsequently used to determine the mass estimate for the single channel s capacitance reading during the measurement phase. This results in seven different mass estimates, one for each SVS channel. Moreover, the variance of the calibration data is used to place a Gaussian probability distribution function (pdf) around this mass estimate. To blend these seven estimates, the seven pdfs are combined into a single Gaussian distribution function, providing the final mean and variance of the estimate. This blending technique essentially takes the final estimate as an average of the estimates of the seven channels, weighted by the inverse of the channel s variance.

  15. Spatial and mass distributions of molecular clouds and spiral structure

    International Nuclear Information System (INIS)

    Kwan, J.; Valdes, F.; National Optical Astronomy Observatories, Tucson, AZ)

    1987-01-01

    The growth of molecular clouds resulting from cloud-cloud collisions and coalescence in the Galactic ring between 4 and 8 kpc are modeled, taking into account the presence of a spiral potential and the mutual cloud-cloud gravitational attraction. The mean lifetime of molecular clouds is determined to be about 200 million years. The clouds are present in both spiral arm and interarm regions, but a spiral pattern in their spatial distribution is clearly discernible, with the more massive clouds showing a stronger correlation with the spiral arms. As viewed from within the Galactic disk, however, it is very difficult to ascertain that the molecular cloud distribution in longitude-velocity space has a spiral pattern. 19 references

  16. Rock mass mechanical property estimations for the Yucca Mountain Site Characterization Project

    International Nuclear Information System (INIS)

    Lin, M.; Hardy, M.P.; Bauer, S.J.

    1993-06-01

    Rock mass mechanical properties are important in the design of drifts and ramps. These properties are used in evaluations of the impacts of thermomechanical loading of potential host rock within the Yucca Mountain Site Characterization Project. Representative intact rock and joint mechanical properties were selected for welded and nonwelded tuffs from the currently available data sources. Rock mass qualities were then estimated using both the Norwegian Geotechnical Institute (Q) and Geomechanics Rating (RMR) systems. Rock mass mechanical properties were developed based on estimates of rock mass quality, the current knowledge of intact properties, and fracture/joint characteristics. Empirical relationships developed to correlate the rock mass quality indices and the rock mass mechanical properties were then used to estimate the range of rock mass mechanical properties

  17. Estimate the Chemical Formula of Organic Compounds from Mass Spectrometry Data

    International Nuclear Information System (INIS)

    Tigor Nauli

    2002-01-01

    Mass spectrometer is one of the analysis methods that can determine molecular weight of a substance precisely. Molecular ionic mass measured by the spectrometer represents sum of its isotopes weight with high abundance. It is not equal to the atomic weights from average total of natural isotope of elements. Therefore, a single mass measurement suffices to decide the formula of a substance. Formula determination using mass data by trial and error is a cumbersome work. An algorithm developed by Lederberg can be used to predict molecular formulas from an integer molecular weight. It will search for all linear combination of mass after the molecular weight divided by one of its isotopes weight. Selection of the right molecular formula from a list of possible formulas can be assisted by the relative abundance of its isotopes. The heavy isotopes will appear in the spectrum as small peaks at one or more unit m/z next to the parent peak. The heights of smaller peak (P M+1 , P M+2 , ... ) compared with the height of parent peak (P M ) depend on the atom and its relative heavy isotopes. Hence, the relative peak heights could designate molecular formula of the substance. A computer application will help in producing a list of all possible molecular formulas from inputs of molecular ion peak results from mass spectrometry. The program calculates relative peak heights implementing Beynon rule. The output becomes a tool for choosing the actual formula of the substance. Although the formula algorithm could be implemented in all chemical groups, the computer program is purely made for an organic substance consists of carbon, hydrogen, oxygen and nitrogen. The computer outputs will inform the odd or even of ionic pairs and the number of bond and rings in the substance also. (author)

  18. Estimation of Black Hole Masses from Steep Spectrum Radio ...

    Indian Academy of Sciences (India)

    3Guangzhou City Construction College, Guangzhou, People's Republic of China ... can also be sorted into steep spectrum radio quasars (SSRQs, α>0.5) and ... tent with those estimated from MgII or Hβ broad emission lines, which do not meet.

  19. EFFECTS OF BIASES IN VIRIAL MASS ESTIMATION ON COSMIC SYNCHRONIZATION OF QUASAR ACCRETION

    International Nuclear Information System (INIS)

    Steinhardt, Charles L.

    2011-01-01

    Recent work using virial mass estimates and the quasar mass-luminosity plane has yielded several new puzzles regarding quasar accretion, including a sub-Eddington boundary (SEB) on most quasar accretion, near-independence of the accretion rate from properties of the host galaxy, and a cosmic synchronization of accretion among black holes of a common mass. We consider how these puzzles might change if virial mass estimation turns out to have a systematic bias. As examples, we consider two recent claims of mass-dependent biases in Mg II masses. Under any such correction, the surprising cosmic synchronization of quasar accretion rates and independence from the host galaxy remain. The slope and location of the SEB are very sensitive to biases in virial mass estimation, and various mass calibrations appear to favor different possible physical explanations for feedback between the central black hole and its environment. The alternative mass estimators considered do not simply remove puzzling quasar behavior, but rather replace it with new puzzles that may be more difficult to solve than those using current virial mass estimators and the Shen et al. catalog.

  20. Low virial parameters in molecular clouds: Implications for high-mass star formation and magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Kauffmann, Jens; Pillai, Thushara [Astronomy Department, California Institute of Technology, 1200 East California Boulevard, Pasadena, CA 91125 (United States); Goldsmith, Paul F., E-mail: jens.kauffmann@astro.caltech.edu, E-mail: tpillai@astro.caltech.edu [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Boulevard, Pasadena, CA 91109 (United States)

    2013-12-20

    Whether or not molecular clouds and embedded cloud fragments are stable against collapse is of utmost importance for the study of the star formation process. Only 'supercritical' cloud fragments are able to collapse and form stars. The virial parameter α = M {sub vir}/M, which compares the virial mass to the actual mass, provides one way to gauge stability against collapse. Supercritical cloud fragments are characterized by α ≲ 2, as indicated by a comprehensive stability analysis considering perturbations in pressure and density gradients. Past research has suggested that virial parameters α ≳ 2 prevail in clouds. This would suggest that collapse toward star formation is a gradual and relatively slow process and that magnetic fields are not needed to explain the observed cloud structure. Here, we review a range of very recent observational studies that derive virial parameters <<2 and compile a catalog of 1325 virial parameter estimates. Low values of α are in particular observed for regions of high-mass star formation (HMSF). These observations may argue for a more rapid and violent evolution during collapse. This would enable 'competitive accretion' in HMSF, constrain some models of 'monolithic collapse', and might explain the absence of high-mass starless cores. Alternatively, the data could point at the presence of significant magnetic fields ∼1 mG at high gas densities. We examine to what extent the derived observational properties might be biased by observational or theoretical uncertainties. For a wide range of reasonable parameters, our conclusions appear to be robust with respect to such biases.

  1. Photoionization mass spectrometric studies of selected compounds in a molecular beam

    Energy Technology Data Exchange (ETDEWEB)

    Trott, W.M.

    1979-03-01

    Photoionization efficiency curves have been measured at moderate to high resolution for several species produced in supersonic molecular beams of acetone, acetone-d/sub 6/ and CS/sub 2/. The molecular beam photoionization mass spectrometer which has been assembled for this work is described. The performance of this instrument has been characterized by a number of experiments and calculations.

  2. Photoionization mass spectrometric studies of selected compounds in a molecular beam

    International Nuclear Information System (INIS)

    Trott, W.M.

    1979-03-01

    Photoionization efficiency curves have been measured at moderate to high resolution for several species produced in supersonic molecular beams of acetone, acetone-d 6 and CS 2 . The molecular beam photoionization mass spectrometer which has been assembled for this work is described. The performance of this instrument has been characterized by a number of experiments and calculations

  3. WISDOM Project - III. Molecular gas measurement of the supermassive black hole mass in the barred lenticular galaxy NGC4429

    Science.gov (United States)

    Davis, Timothy A.; Bureau, Martin; Onishi, Kyoko; van de Voort, Freeke; Cappellari, Michele; Iguchi, Satoru; Liu, Lijie; North, Eve V.; Sarzi, Marc; Smith, Mark D.

    2018-01-01

    As part of the mm-Wave Interferometric Survey of Dark Object Masses project we present an estimate of the mass of the supermassive black hole (SMBH) in the nearby fast-rotating early-type galaxy NGC4429, that is barred and has a boxy/peanut-shaped bulge. This estimate is based on Atacama Large Millimeter/submillimeter Array (ALMA) cycle-2 observations of the 12CO(3-2) emission line with a linear resolution of ≈13 pc (0.18 arcsec × 0.14 arcsec). NGC4429 has a relaxed, flocculent nuclear disc of molecular gas that is truncated at small radii, likely due to the combined effects of gas stability and tidal shear. The warm/dense 12CO(3-2) emitting gas is confined to the inner parts of this disc, likely again because the gas becomes more stable at larger radii, preventing star formation. The gas disc has a low velocity dispersion of 2.2^{+0.68}_{-0.65} km s-1. Despite the inner truncation of the gas disc, we are able to model the kinematics of the gas and estimate a mass of (1.5 ± 0.1^{+0.15}_{-0.35}) × 108 M⊙ for the SMBH in NGC4429 (where the quoted uncertainties reflect the random and systematic uncertainties, respectively), consistent with a previous upper limit set using ionized gas kinematics. We confirm that the V-band mass-to-light ratio changes by ≈30 per cent within the inner 400 pc of NGC4429, as suggested by other authors. This SMBH mass measurement based on molecular gas kinematics, the sixth presented in the literature, once again demonstrates the power of ALMA to constrain SMBH masses.

  4. Molecular Isotopic Distribution Analysis (MIDAs) with adjustable mass accuracy.

    Science.gov (United States)

    Alves, Gelio; Ogurtsov, Aleksey Y; Yu, Yi-Kuo

    2014-01-01

    In this paper, we present Molecular Isotopic Distribution Analysis (MIDAs), a new software tool designed to compute molecular isotopic distributions with adjustable accuracies. MIDAs offers two algorithms, one polynomial-based and one Fourier-transform-based, both of which compute molecular isotopic distributions accurately and efficiently. The polynomial-based algorithm contains few novel aspects, whereas the Fourier-transform-based algorithm consists mainly of improvements to other existing Fourier-transform-based algorithms. We have benchmarked the performance of the two algorithms implemented in MIDAs with that of eight software packages (BRAIN, Emass, Mercury, Mercury5, NeutronCluster, Qmass, JFC, IC) using a consensus set of benchmark molecules. Under the proposed evaluation criteria, MIDAs's algorithms, JFC, and Emass compute with comparable accuracy the coarse-grained (low-resolution) isotopic distributions and are more accurate than the other software packages. For fine-grained isotopic distributions, we compared IC, MIDAs's polynomial algorithm, and MIDAs's Fourier transform algorithm. Among the three, IC and MIDAs's polynomial algorithm compute isotopic distributions that better resemble their corresponding exact fine-grained (high-resolution) isotopic distributions. MIDAs can be accessed freely through a user-friendly web-interface at http://www.ncbi.nlm.nih.gov/CBBresearch/Yu/midas/index.html.

  5. Cyclodextrin--piroxicam inclusion complexes: analyses by mass spectrometry and molecular modelling

    Science.gov (United States)

    Gallagher, Richard T.; Ball, Christopher P.; Gatehouse, Deborah R.; Gates, Paul J.; Lobell, Mario; Derrick, Peter J.

    1997-11-01

    Mass spectrometry has been used to investigate the natures of non-covalent complexes formed between the anti-inflammatory drug piroxicam and [alpha]-, [beta]- and [gamma]-cyclodextrins. Energies of these complexes have been calculated by means of molecular modelling. There is a correlation between peak intensities in the mass spectra and the calculated energies.

  6. Mass spectrometric identification of molecular species of phosphatidylcholine and lysophosphatidycholine extracted from shark liver

    NARCIS (Netherlands)

    Chen, S.; Li, K.W.

    2007-01-01

    The profile and structural characterization of molecular species of phosphatidylcholine (PC) and lysophosphatidylcholine (LysoPC) from shark liver using liquid chromatographic/electrospray ionization mass spectrometry (LC-ESI/MS) and tandem mass spectrometry (MS/MS) are described for the first time

  7. Newer methods for the characterization of higher molecular mass coal derivatives

    International Nuclear Information System (INIS)

    Bartle, K.D.

    1983-01-01

    Recent developments in a number of areas in the analytical chemistry of higher molecular mass coal derivatives are critically reviewed, viz. supercritical fluid chromatography, size-exclusion chromatography, charge-transfer fractionation, nmr spectroscopy, mass spectrometry and electrochemical analysis. (orig.) [de

  8. A New Equation to Estimate Muscle Mass from Creatinine and Cystatin C.

    Directory of Open Access Journals (Sweden)

    Sun-wook Kim

    Full Text Available With evaluation for physical performance, measuring muscle mass is an important step in detecting sarcopenia. However, there are no methods to estimate muscle mass from blood sampling.To develop a new equation to estimate total-body muscle mass with serum creatinine and cystatin C level, we designed a cross-sectional study with separate derivation and validation cohorts. Total body muscle mass and fat mass were measured using dual-energy x-ray absorptiometry (DXA in 214 adults aged 25 to 84 years who underwent physical checkups from 2010 to 2013 in a single tertiary hospital. Serum creatinine and cystatin C levels were also examined.Serum creatinine was correlated with muscle mass (P < .001, and serum cystatin C was correlated with body fat mass (P < .001 after adjusting glomerular filtration rate (GFR. After eliminating GFR, an equation to estimate total-body muscle mass was generated and coefficients were calculated in the derivation cohort. There was an agreement between muscle mass calculated by the novel equation and measured by DXA in both the derivation and validation cohort (P < .001, adjusted R2 = 0.829, β = 0.95, P < .001, adjusted R2 = 0.856, β = 1.03, respectively.The new equation based on serum creatinine and cystatin C levels can be used to estimate total-body muscle mass.

  9. Divergence time estimates of mammals from molecular clocks and ...

    Indian Academy of Sciences (India)

    Prakash

    2009-10-30

    Oct 30, 2009 ... Keywords. Cretaceous; Eocene; Indian Plate; molecular clocks; placental mammals ... variation is known to occur among loci on a gene, between branches on a tree, ... been proposed to explain placental mammal diversification with respect .... Figure 1. Three models (a, explosive, b, long fuse, c, short fuse).

  10. Dry mass estimates of some tropical aquatic insects

    Directory of Open Access Journals (Sweden)

    Claudia Cressa

    1999-06-01

    Full Text Available Relationships of body mass and head capsule width were developed for Thraulodes sp., Haplohyphes sp. (Ephemeroptera, Leptonema sp., Phylloicus sp. Nectopsyche sp. (Trichoptera, and Anacroneuria sp. (Plecoptera. The organisms were collected with a Surber net (0.1296 m² and 0.286 mm mesh size on the Orituco river, Venezuela. The number of specimens used in the analysis for the species studied, was different (from 84 to 103 specimens. Regression analysis indicated that all relationships were best expressed by a power function rather than by linear or exponential equation. Analyses of the relationships reveal interspecific differences among insects of the same order. Species-specific relationships are recommended to be used whenever possible since, depending on the species, the underestimation of mass could be as much as 56%.Se calcularon las relaciones entre la masa del cuerpo y el ancho de la capsula cefálica para Thraulodes sp., Haplohyphes sp. (Ephemeroptera, Leptonema sp., Phylloicus sp., Nectopsyche sp. (Trichoptera, y Anacroneuria sp. (Plecoptera. Los análisis de regresión indicaron que todas las relaciones se expresan adecuadamente mediante la función potencial en vez de la función exponencial o linear. El análisis de las relaciones obtenidas revela diferencias entre los insectos pertenecientes a un mismo Orden. Se recomienda el uso de relaciones específicas para cada especie siempre y cuando sea posible, debido a que, dependiendo de la especie, la subestimación de la masa puede llegar a ser hasta de un 56%.

  11. Determination of balloon gas mass and revised estimates of drag and virtual mass coefficients

    Science.gov (United States)

    Robbins, E.; Martone, M.

    1993-01-01

    In support of the NASA Balloon Program, small-scale balloons were flown with varying lifting gas and total system mass. Instrument packages were developed to measure and record acceleration and temperature data during these tests. Top fitting and instrument payload accelerations were measured from launch to steady state ascent and through ballast drop transients. The development of the small lightweight self-powered Stowaway Special instrument packages is discussed along with mathematical models developed to determine gas mass, drag and virtual mass coefficients.

  12. Scaling Factor Estimation Using an Optimized Mass Change Strategy, Part 1: Theory

    DEFF Research Database (Denmark)

    Aenlle, Manuel López; Fernández, Pelayo Fernández; Brincker, Rune

    2007-01-01

    In natural input modal analysis, only un-scaled mode shapes can be obtained. The mass change method is, in many cases, the simplest way to estimate the scaling factors, which involves repeated modal testing after changing the mass in different points of the structure where the mode shapes are known....... The scaling factors are determined using the natural frequencies and mode shapes of both the modified and the unmodified structure. However, the uncertainty on the scaling factor estimation depends on the modal analysis and the mass change strategy (number, magnitude and location of the masses) used to modify...

  13. A Century of Progress in Molecular Mass Spectrometry

    Science.gov (United States)

    McLafferty, Fred W.

    2011-07-01

    The first mass spectrum of a molecule was measured by J.J. Thomson in 1910. Mass spectrometry (MS) soon became crucial to the study of isotopes and atomic weights and to the development of atomic weapons for World War II. Its notable applications to molecules began with the quantitative analysis of light hydrocarbons during World War II. When I joined the Dow Chemical Company in 1950, MS was not favored by organic chemists. This situation improved only with an increased understanding of gaseous ion chemistry, which was obtained through the use of extensive reference data. Gas chromatography-MS was developed in 1956, and tandem MS was first used a decade later. In neutralization-reionization MS, an unusual, unstable species is prepared by ion-beam neutralization and characterized by reionization. Electrospray ionization of a protein mixture produces its corresponding ionized molecules. In top-down proteomics, ions from an individual component can be mass separated and subjected to collision-activated and electron-capture dissociation to provide extensive sequence information.

  14. The estimation of body mass index and physical attractiveness is dependent on the observer's own body mass index.

    Science.gov (United States)

    Tovée, M J; Emery, J L; Cohen-Tovée, E M

    2000-01-01

    A disturbance in the evaluation of personal body mass and shape is a key feature of both anorexia and bulimia nervosa. However, it is uncertain whether overestimation is a causal factor in the development of these eating disorders or is merely a secondary effect of having a low body mass. Moreover, does this overestimation extend to the perception of other people's bodies? Since body mass is an important factor in the perception of physical attractiveness, we wanted to determine whether this putative overestimation of self body mass extended to include the perceived attractiveness of others. We asked 204 female observers (31 anorexic, 30 bulimic and 143 control) to estimate the body mass and rate the attractiveness of a set of 25 photographic images showing people of varying body mass index (BMI). BMI is a measure of weight scaled for height (kg m(- 2)). The observers also estimated their own BMI. Anorexic and bulimic observers systematically overestimated the body mass of both their own and other people's bodies, relative to controls, and they rated a significantly lower body mass to be optimally attractive. When the degree of overestimation is plotted against the BMI of the observer there is a strong correlation. Taken across all our observers, as the BMI of the observer declines, the overestimation of body mass increases. One possible explanation for this result is that the overestimation is a secondary effect caused by weight loss. Moreover, if the degree of body mass overestimation is taken into account, then there are no significant differences in the perceptions of attractiveness between anorexic and bulimic observers and control observers. Our results suggest a significant perceptual overestimation of BMI that is based on the observer's own BMI and not correlated with cognitive factors, and suggests that this overestimation in eating-disordered patients must be addressed directly in treatment regimes. PMID:11075712

  15. Assessing the accuracy of body mass estimation equations from pelvic and femoral variables among modern British women of known mass.

    Science.gov (United States)

    Young, Mariel; Johannesdottir, Fjola; Poole, Ken; Shaw, Colin; Stock, J T

    2018-02-01

    Femoral head diameter is commonly used to estimate body mass from the skeleton. The three most frequently employed methods, designed by Ruff, Grine, and McHenry, were developed using different populations to address different research questions. They were not specifically designed for application to female remains, and their accuracy for this purpose has rarely been assessed or compared in living populations. This study analyzes the accuracy of these methods using a sample of modern British women through the use of pelvic CT scans (n = 97) and corresponding information about the individuals' known height and weight. Results showed that all methods provided reasonably accurate body mass estimates (average percent prediction errors under 20%) for the normal weight and overweight subsamples, but were inaccurate for the obese and underweight subsamples (average percent prediction errors over 20%). When women of all body mass categories were combined, the methods provided reasonable estimates (average percent prediction errors between 16 and 18%). The results demonstrate that different methods provide more accurate results within specific body mass index (BMI) ranges. The McHenry Equation provided the most accurate estimation for women of small body size, while the original Ruff Equation is most likely to be accurate if the individual was obese or severely obese. The refined Ruff Equation was the most accurate predictor of body mass on average for the entire sample, indicating that it should be utilized when there is no knowledge of the individual's body size or if the individual is assumed to be of a normal body size. The study also revealed a correlation between pubis length and body mass, and an equation for body mass estimation using pubis length was accurate in a dummy sample, suggesting that pubis length can also be used to acquire reliable body mass estimates. This has implications for how we interpret body mass in fossil hominins and has particular relevance

  16. Quantum molecular dynamics approach to estimate spallation yield ...

    Indian Academy of Sciences (India)

    Consequently, the need for reliable data to design and construct spallation neutron sources has prompted ... A major disadvantage of the QMD code .... have estimated the average neutron multiplicities per primary reaction and kinetic energy.

  17. Electronic sputtering of large organic molecules and its application in bio molecular mass spectrometry

    International Nuclear Information System (INIS)

    Sundqvist, B.U.R.

    1992-01-01

    This is a review of research which has its origin in the discovery of Plasma Desorption Mass Spectrometry (PDMS). Two main fields of research have developed, namely fundamental studies of the ejection process at fast ion impact and studies of applications of the new mass spectrometric technique. In this review the emphasis will be on the process of electronic sputtering of organic solids but also applications of this process in bio molecular mass spectrometry will be discussed. (author)

  18. An algorithm for mass matrix calculation of internally constrained molecular geometries.

    Science.gov (United States)

    Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

    2008-01-28

    Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model.

  19. An algorithm for mass matrix calculation of internally constrained molecular geometries

    International Nuclear Information System (INIS)

    Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

    2008-01-01

    Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model

  20. The Anomalies of Hyaluronan Structures in Presence of Surface Active Phospholipids—Molecular Mass Dependence

    Directory of Open Access Journals (Sweden)

    Piotr Bełdowski

    2018-03-01

    Full Text Available Interactions between hyaluronan (A- and phospholipids play a key role in many systems in the human body. One example is the articular cartilage system, where the synergistic effect of such interactions supports nanoscale lubrication. A molecular dynamics simulation has been performed to understand the process of formation of hydrogen bonds inside the hyaluronan network, both in the presence and absence of phospholipids. Additionally, the effect of the molecular mass of (A- was analyzed. The main finding of this work is a robust demonstration of the optimal parameters (H-bond energy, molecular mass influencing the facilitated lubrication mechanism of the articular cartilage system. Simulation results show that the presence of phospholipids has the greatest influence on hyaluronan at low molecular mass. We also show the specific sites of H-bonding between chains. Simulation results can help to understand how hyaluronan and phospholipids interact at several levels of articular cartilage system functioning.

  1. Active galactic nucleus black hole mass estimates in the era of time domain astronomy

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, Brandon C.; Treu, Tommaso; Pancoast, Anna [Department of Physics, Broida Hall, University of California, Santa Barbara, CA 93106-9530 (United States); Malkan, Matthew [Department of Astronomy, 430 Portola Plaza, Box 951547, University of California, Los Angeles, CA 90095-1547 (United States); Woo, Jong-Hak [Department of Physics and Astronomy, Seoul National University, Seoul 151-742 (Korea, Republic of)

    2013-12-20

    We investigate the dependence of the normalization of the high-frequency part of the X-ray and optical power spectral densities (PSDs) on black hole mass for a sample of 39 active galactic nuclei (AGNs) with black hole masses estimated from reverberation mapping or dynamical modeling. We obtained new Swift observations of PG 1426+015, which has the largest estimated black hole mass of the AGNs in our sample. We develop a novel statistical method to estimate the PSD from a light curve of photon counts with arbitrary sampling, eliminating the need to bin a light curve to achieve Gaussian statistics, and we use this technique to estimate the X-ray variability parameters for the faint AGNs in our sample. We find that the normalization of the high-frequency X-ray PSD is inversely proportional to black hole mass. We discuss how to use this scaling relationship to obtain black hole mass estimates from the short timescale X-ray variability amplitude with precision ∼0.38 dex. The amplitude of optical variability on timescales of days is also anticorrelated with black hole mass, but with larger scatter. Instead, the optical variability amplitude exhibits the strongest anticorrelation with luminosity. We conclude with a discussion of the implications of our results for estimating black hole mass from the amplitude of AGN variability.

  2. Divergence time estimates of mammals from molecular clocks and ...

    Indian Academy of Sciences (India)

    Prakash

    2009-10-30

    Oct 30, 2009 ... In the last decade and a half, mammalian phylogeny and lineage divergence .... not the sudden availability of ecological niches following the KTB mass .... fish fauna, ostracods, and palynofossils (Singh et al. 2006;. Prasad et al. ... tendons and hence the functional adaptations of the animal during its life and ...

  3. Incorporating Biological Mass Spectrometry into Undergraduate Teaching Labs, Part 2: Peptide Identification via Molecular Mass Determination

    Science.gov (United States)

    Arnquist, Isaac J.; Beussman, Douglas J.

    2009-01-01

    Mass spectrometry has become a routine analytical tool in the undergraduate curriculum in the form of GC-MS. While relatively few undergraduate programs have incorporated biological mass spectrometry into their programs, the importance of these techniques, as demonstrated by their recognition with the 2002 Nobel Prize, will hopefully lead to…

  4. Determination of high molecular mass compounds from Amazonian plant's leaves

    International Nuclear Information System (INIS)

    Siqueira, Denilson Soares de; Pereira, Alberto dos Santos; Aquino Neto, Francisco Radler de; Simoneit, Bernd R.T.

    2003-01-01

    The fractions of dichloromethane extracts of leaves from andiroba (Carapa guianensis - Meliaceae), caapi (Banisteriopsis caapi - Malpighiaceae), cocoa (Theobroma cacao - Sterculiaceae), Brazil nut (Bertholletia excelsa - Lecytidaceae), cupuacu (Theobroma grandiflorum - Sterculiaceae), marupa (Simaruba amara - Simaroubaceae) and rubber tree (Hevea brasiliensis - Euphorbiaceae), were analyzed by HT-HRGC and HT-HRGC-MS. Esters of homologous series of fatty acids and long chain alcohols, phytol, amyrines and tocopherols were characterized. The characterization of the compounds was based mainly in mass spectra data and in addition by usual spectrometric data ( 1 H and 13 C NMR, IR). (author)

  5. Estimation of cauliflower mass transfer parameters during convective drying

    Science.gov (United States)

    Sahin, Medine; Doymaz, İbrahim

    2017-02-01

    The study was conducted to evaluate the effect of pre-treatments such as citric acid and hot water blanching and air temperature on drying and rehydration characteristics of cauliflower slices. Experiments were carried out at four different drying air temperatures of 50, 60, 70 and 80 °C with the air velocity of 2.0 m/s. It was observed that drying and rehydration characteristics of cauliflower slices were greatly influenced by air temperature and pre-treatment. Six commonly used mathematical models were evaluated to predict the drying kinetics of cauliflower slices. The Midilli et al. model described the drying behaviour of cauliflower slices at all temperatures better than other models. The values of effective moisture diffusivities ( D eff ) were determined using Fick's law of diffusion and were between 4.09 × 10-9 and 1.88 × 10-8 m2/s. Activation energy was estimated by an Arrhenius type equation and was 23.40, 29.09 and 26.39 kJ/mol for citric acid, blanch and control samples, respectively.

  6. Some error estimates for the lumped mass finite element method for a parabolic problem

    KAUST Repository

    Chatzipantelidis, P.; Lazarov, R. D.; Thomé e, V.

    2012-01-01

    for the standard Galerkin method carry over to the lumped mass method whereas nonsmooth initial data estimates require special assumptions on the triangulation. We also discuss the application to time discretization by the backward Euler and Crank-Nicolson methods

  7. Estimation of body mass index from the metrics of the first metatarsal

    Science.gov (United States)

    Dunn, Tyler E.

    Estimation of the biological profile from as many skeletal elements as possible is a necessity in both forensic and bioarchaeological contexts; this includes non-standard aspects of the biological profile, such as body mass index (BMI). BMI is a measure that allows for understanding of the composition of an individual and is traditionally divided into four groups: underweight, normal weight, overweight, and obese. BMI estimation incorporates both estimation of stature and body mass. The estimation of stature from skeletal elements is commonly included into the standard biological profile but the estimation of body mass needs to be further statistically validated to be consistently included. The bones of the foot, specifically the first metatarsal, may have the ability to estimate BMI given an allometric relationship to stature and the mechanical relationship to body mass. There are two commonly used methods for stature estimation, the anatomical method and the regression method. The anatomical method takes into account all of the skeletal elements that contribute to stature while the regression method relies on the allometric relationship between a skeletal element and living stature. A correlation between the metrics of the first metatarsal and living stature has been observed, and proposed as a method for valid stature estimation from the boney foot (Byers et al., 1989). Body mass estimation from skeletal elements relies on two theoretical frameworks: the morphometric and the mechanical approaches. The morphometric approach relies on the size relationship of the individual to body mass; the basic relationship between volume, density, and weight allows for body mass estimation. The body is thought of as a cylinder, and in order to understand the volume of this cylinder the diameter is needed. A commonly used proxy for this in the human body is skeletal bi-iliac breadth from rearticulated pelvic girdle. The mechanical method of body mass estimation relies on the

  8. Some error estimates for the lumped mass finite element method for a parabolic problem

    KAUST Repository

    Chatzipantelidis, P.

    2012-01-01

    We study the spatially semidiscrete lumped mass method for the model homogeneous heat equation with homogeneous Dirichlet boundary conditions. Improving earlier results we show that known optimal order smooth initial data error estimates for the standard Galerkin method carry over to the lumped mass method whereas nonsmooth initial data estimates require special assumptions on the triangulation. We also discuss the application to time discretization by the backward Euler and Crank-Nicolson methods. © 2011 American Mathematical Society.

  9. Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations

    Directory of Open Access Journals (Sweden)

    Wolfgang Schreiner

    2012-01-01

    Full Text Available Molecular dynamics simulations have to be sufficiently long to draw reliable conclusions. However, no method exists to prove that a simulation has converged. We suggest the method of “lagged RMSD-analysis” as a tool to judge if an MD simulation has not yet run long enough. The analysis is based on RMSD values between pairs of configurations separated by variable time intervals Δt. Unless RMSD(Δt has reached a stationary shape, the simulation has not yet converged.

  10. Recharge Estimation Using Water, Chloride and Isotope Mass Balances

    Science.gov (United States)

    Dogramaci, S.; Firmani, G.; Hedley, P.; Skrzypek, G.; Grierson, P. F.

    2014-12-01

    Discharge of surplus mine water into ephemeral streams may elevate groundwater levels and alter the exchange rate between streams and underlying aquifers but it is unclear whether volumes and recharge processes are within the range of natural variability. Here, we present a case study of an ephemeral creek in the semi-arid subtropical Hamersley Basin that has received continuous mine discharge for more than five years. We used a numerical model coupled with repeated measurements of water levels, chloride concentrations and the hydrogen and oxygen stable isotope composition (δ2H and δ18O) to estimate longitudinal evapotranspiration and recharge rates along a 27 km length of Weeli Wolli Creek. We found that chloride increased from 74 to 120 mg/L across this length, while δ18O increased from -8.24‰ to -7.00‰. Groundwater is directly connected to the creek for the first 13 km and recharge rates are negligible. Below this point, the creek flows over a highly permeable aquifer and water loss by recharge increases to a maximum rate of 4.4 mm/d, which accounts for ~ 65% of the total water discharged to the creek. Evapotranspiration losses account for the remaining ~35%. The calculated recharge from continuous flow due to surplus water discharge is similar to that measured for rainfall-driven flood events along the creek. Groundwater under the disconnected section of the creek is characterised by a much lower Cl concentration and more depleted δ18O value than mining discharge water but is similar to flood water generated by large episodic rainfall events. Our results suggest that the impact of recharge from continuous flow on the creek has not extended beyond 27 km from the discharge point. Our approach using a combination of hydrochemical and isotope methods coupled with classical surface flow hydraulic modelling allowed evaluation of components of water budget otherwise not possible in a highly dynamic system that is mainly driven by infrequent but large episodic

  11. [Correlation of molecular weight and nanofiltration mass transfer coefficient of phenolic acid composition from Salvia miltiorrhiza].

    Science.gov (United States)

    Li, Cun-Yu; Wu, Xin; Gu, Jia-Mei; Li, Hong-Yang; Peng, Guo-Ping

    2018-04-01

    Based on the molecular sieving and solution-diffusion effect in nanofiltration separation, the correlation between initial concentration and mass transfer coefficient of three typical phenolic acids from Salvia miltiorrhiza was fitted to analyze the relationship among mass transfer coefficient, molecular weight and concentration. The experiment showed a linear relationship between operation pressure and membrane flux. Meanwhile, the membrane flux was gradually decayed with the increase of solute concentration. On the basis of the molecular sieving and solution-diffusion effect, the mass transfer coefficient and initial concentration of three phenolic acids showed a power function relationship, and the regression coefficients were all greater than 0.9. The mass transfer coefficient and molecular weight of three phenolic acids were negatively correlated with each other, and the order from high to low is protocatechualdehyde >rosmarinic acid> salvianolic acid B. The separation mechanism of nanofiltration for phenolic acids was further clarified through the analysis of the correlation of molecular weight and nanofiltration mass transfer coefficient. The findings provide references for nanofiltration separation, especially for traditional Chinese medicine with phenolic acids. Copyright© by the Chinese Pharmaceutical Association.

  12. Detection of irradiated food by the changes in protein molecular mass distribution

    International Nuclear Information System (INIS)

    Niciforovic, A.; Radojcic, M.; Milosavljevic, B.H.

    1998-01-01

    Complete text of publication follows. The present work deals with the radiation-induced damage of proteins, which is followed by the change in the molecular mass. The phenomenon was studied on protein rich samples, i.e., chicken meat and dehydrated egg white. The radiation dose applied was in the range of the ones used for food microbial control. Chicken drumstick and chicken white meat proteins were separated according to their molecular mass. The protein profile was compared to the meat samples irradiated in the frozen state with 5 kGy at 60 Co source. In the case of chicken white meat, irradiation produces both nonselective protein scission (e.g. the amount of proteins of molecular mass larger than 30 kDa decreases, while the amount of proteins of molecular mass smaller than 30 kDa increases), and selective protein scission (e.g. appearance of a protein fragment of molecular mass equal to 18 kDa). In the case of chicken drumstick proteins the irradiation induces both the protein scission and the aggregation. The changes are nonspecific as well as specific and the generation of Mm = 18 kDa protein fragment was observed again. Irradiation of aerated dehydrated egg white proteins produces only nonselective protein scission. The results are discussed in view of the routine application of SDS-PAGE method for the detection of irradiated foodstuff

  13. Scaling Factor Estimation Using Optimized Mass Change Strategy, Part 2: Experimental Results

    DEFF Research Database (Denmark)

    Fernández, Pelayo Fernández; Aenlle, Manuel López; Garcia, Luis M. Villa

    2007-01-01

    The mass change method is used to estimate the scaling factors, the uncertainty is reduced when, for each mode, the frequency shift is maximized and the changes in the mode shapes are minimized, which in turn, depends on the mass change strategy chosen to modify the dynamic behavior of the struct...

  14. Synchrotron based mass spectrometry to investigate the molecular properties of mineral-organic associations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Suet Yi; Kleber, Markus; Takahashi, Lynelle K.; Nico, Peter; Keiluweit, Marco; Ahmed, Musahid

    2013-04-01

    Soil organic matter (OM) is important because its decay drives life processes in the biosphere. Analysis of organic compounds in geological systems is difficult because of their intimate association with mineral surfaces. To date there is no procedure capable of quantitatively separating organic from mineral phases without creating artifacts or mass loss. Therefore, analytical techniques that can (a) generate information about both organic and mineral phases simultaneously and (b) allow the examination of predetermined high-interest regions of the sample as opposed to conventional bulk analytical techniques are valuable. Laser Desorption Synchrotron Postionization (synchrotron-LDPI) mass spectrometry is introduced as a novel analytical tool to characterize the molecular properties of organic compounds in mineral-organic samples from terrestrial systems, and it is demonstrated that when combined with Secondary Ion Mass Spectrometry (SIMS), can provide complementary information on mineral composition. Mass spectrometry along a decomposition gradient in density fractions, verifies the consistency of our results with bulk analytical techniques. We further demonstrate that by changing laser and photoionization energies, variations in molecular stability of organic compounds associated with mineral surfaces can be determined. The combination of synchrotron-LDPI and SIMS shows that the energetic conditions involved in desorption and ionization of organic matter may be a greater determinant of mass spectral signatures than the inherent molecular structure of the organic compounds investigated. The latter has implications for molecular models of natural organic matter that are based on mass spectrometric information.

  15. Uncertainties and Systematic Effects on the estimate of stellar masses in high z galaxies

    Science.gov (United States)

    Salimbeni, S.; Fontana, A.; Giallongo, E.; Grazian, A.; Menci, N.; Pentericci, L.; Santini, P.

    2009-05-01

    We discuss the uncertainties and the systematic effects that exist in the estimates of the stellar masses of high redshift galaxies, using broad band photometry, and how they affect the deduced galaxy stellar mass function. We use at this purpose the latest version of the GOODS-MUSIC catalog. In particular, we discuss the impact of different synthetic models, of the assumed initial mass function and of the selection band. Using Chariot & Bruzual 2007 and Maraston 2005 models we find masses lower than those obtained from Bruzual & Chariot 2003 models. In addition, we find a slight trend as a function of the mass itself comparing these two mass determinations with that from Bruzual & Chariot 2003 models. As consequence, the derived galaxy stellar mass functions show diverse shapes, and their slope depends on the assumed models. Despite these differences, the overall results and scenario is observed in all these cases. The masses obtained with the assumption of the Chabrier initial mass function are in average 0.24 dex lower than those from the Salpeter assumption, at all redshifts, causing a shift of galaxy stellar mass function of the same amount. Finally, using a 4.5 μm-selected sample instead of a Ks-selected one, we add a new population of highly absorbed, dusty galaxies at z~=2-3 of relatively low masses, yielding stronger constraints on the slope of the galaxy stellar mass function at lower masses.

  16. Total body skeletal muscle mass: estimation by creatine (methyl-d3) dilution in humans

    Science.gov (United States)

    Walker, Ann C.; O'Connor-Semmes, Robin L.; Leonard, Michael S.; Miller, Ram R.; Stimpson, Stephen A.; Turner, Scott M.; Ravussin, Eric; Cefalu, William T.; Hellerstein, Marc K.; Evans, William J.

    2014-01-01

    Current methods for clinical estimation of total body skeletal muscle mass have significant limitations. We tested the hypothesis that creatine (methyl-d3) dilution (D3-creatine) measured by enrichment of urine D3-creatinine reveals total body creatine pool size, providing an accurate estimate of total body skeletal muscle mass. Healthy subjects with different muscle masses [n = 35: 20 men (19–30 yr, 70–84 yr), 15 postmenopausal women (51–62 yr, 70–84 yr)] were housed for 5 days. Optimal tracer dose was explored with single oral doses of 30, 60, or 100 mg D3-creatine given on day 1. Serial plasma samples were collected for D3-creatine pharmacokinetics. All urine was collected through day 5. Creatine and creatinine (deuterated and unlabeled) were measured by liquid chromatography mass spectrometry. Total body creatine pool size and muscle mass were calculated from D3-creatinine enrichment in urine. Muscle mass was also measured by magnetic resonance imaging (MRI), dual-energy x-ray absorptiometry (DXA), and traditional 24-h urine creatinine. D3-creatine was rapidly absorbed and cleared with variable urinary excretion. Isotopic steady-state of D3-creatinine enrichment in the urine was achieved by 30.7 ± 11.2 h. Mean steady-state enrichment in urine provided muscle mass estimates that correlated well with MRI estimates for all subjects (r = 0.868, P creatine dose determined by urine D3-creatinine enrichment provides an estimate of total body muscle mass strongly correlated with estimates from serial MRI with less bias than total lean body mass assessment by DXA. PMID:24764133

  17. Mass spectra of hidden-charm molecular pentaquarks states

    International Nuclear Information System (INIS)

    Patel, Smruti; Vinodkumar, P.C.

    2016-01-01

    Very recently, the LHCb Collaboration has reported two hidden-charmed resonances P_c(4380) and P_c(4450) consistent with pentaquark states in the Λ_b"0 → K"-J/Ψp process with masses (widths) (4380 ±8 ± 29) MeV ((205 ±18 ± 86) MeV) and (4449.8 ±1.7 ± 2.5) MeV ((39 ±5 ±19) MeV), respectively. The observation of the P_c states has aroused the theorist's strong interest in the hidden-charm pentaquark states. They have been studied in various frameworks, such as the molecule-like pentaquark states, the diquark-diquark-antiquark type pentaquark states, the diquark-triquark type pentaquark states, re-scattering effects, etc. An identification of pentaquark states as exotic hadron has been one of the long standing problems in the physics of strong interaction and quantum chromodynamics (QCD). A decade ago lots of discussion were made about pentaquarks states but due to lack of further experimental evidences the study of pentaquarks have been almost gone in the darkness. But, recent remarkable observation of two resonances i.e. P_c(4380) and P_c(4450) with hidden charm and the minimal quark content cc-baruud provided new impact for studies of pentaquark states and opens a new window to study the exotic hadronic matter

  18. Study of the method to estimate the hydraulic characteristics in rock masses by using elastic wave

    International Nuclear Information System (INIS)

    Katsu, Kenta; Ohnishi, Yuzo; Nishiyama, Satoshi; Yano, Takao; Ando, Kenichi; Yoshimura, Kimitaka

    2008-01-01

    In the area of radioactive waste repository, estimating radionuclide migration through the rock mass is an important factor for assessment of the repository. The purpose of this study is to develop a method to estimate hydraulic characteristics of rock masses by using elastic wave velocity dispersion. This method is based on dynamics poroelastic relations such as Biot and BISQ theories. These theories indicate relations between velocity dispersion and hydraulic characteristics. In order to verify the validity of these theories in crystalline rocks, we performed laboratory experiments. The results of experiments show the dependency of elastic wave velocity on its frequency. To test the applicability of this method to real rock masses, we performed in-situ experiment for tuff rock masses. The results of in-situ experiment show the possibility as a practical method to estimate the hydraulic characteristics by using elastic wave velocity dispersion. (author)

  19. Body Estimation and Physical Performance: Estimation of Lifting and Carrying from Fat-Free Mass.

    Science.gov (United States)

    1998-10-30

    demanding Navy jobs is associat- ed with greater rates of low back injuries (Vickers, Hervig and White, 1997). Vickers (personal commu- nication) unpublished...adequate strength to reduce the risk of injury on the job to levels of less demanding jobs. The rate of injury on the job might be reduced if strength...of fatness. Individuals for whom body weight is elevated due to the presence of a large muscle mass (e.g. weightlifters ), do not have the same health

  20. Applicability of geomechanical classifications for estimation of strength properties in Brazilian rock masses.

    Science.gov (United States)

    Santos, Tatiana B; Lana, Milene S; Santos, Allan E M; Silveira, Larissa R C

    2017-01-01

    Many authors have been proposed several correlation equations between geomechanical classifications and strength parameters. However, these correlation equations have been based in rock masses with different characteristics when compared to Brazilian rock masses. This paper aims to study the applicability of the geomechanical classifications to obtain strength parameters of three Brazilian rock masses. Four classification systems have been used; the Rock Mass Rating (RMR), the Rock Mass Quality (Q), the Geological Strength Index (GSI) and the Rock Mass Index (RMi). A strong rock mass and two soft rock masses with different degrees of weathering located in the cities of Ouro Preto and Mariana, Brazil; were selected for the study. Correlation equations were used to estimate the strength properties of these rock masses. However, such correlations do not always provide compatible results with the rock mass behavior. For the calibration of the strength values obtained through the use of classification systems, ​​stability analyses of failures in these rock masses have been done. After calibration of these parameters, the applicability of the various correlation equations found in the literature have been discussed. According to the results presented in this paper, some of these equations are not suitable for the studied rock masses.

  1. On systematic and statistic errors in radionuclide mass activity estimation procedure

    International Nuclear Information System (INIS)

    Smelcerovic, M.; Djuric, G.; Popovic, D.

    1989-01-01

    One of the most important requirements during nuclear accidents is the fast estimation of the mass activity of the radionuclides that suddenly and without control reach the environment. The paper points to systematic errors in the procedures of sampling, sample preparation and measurement itself, that in high degree contribute to total mass activity evaluation error. Statistic errors in gamma spectrometry as well as in total mass alpha and beta activity evaluation are also discussed. Beside, some of the possible sources of errors in the partial mass activity evaluation for some of the radionuclides are presented. The contribution of the errors in the total mass activity evaluation error is estimated and procedures that could possibly reduce it are discussed (author)

  2. Estimating the Mass of the Milky Way Using the Ensemble of Classical Satellite Galaxies

    Science.gov (United States)

    Patel, Ekta; Besla, Gurtina; Sohn, Sangmo Tony; Mandel, Kaisey

    2018-06-01

    High precision proper motions are currently available for approximately 20% of the Milky Way's known satellite galaxies. Often, the 6D phase space information of each satellite is used separately to constrain the mass of the MW. In this talk, I will discuss the Bayesian framework outlined in Patel et al. 2017b to make inferences of the MW's mass using satellite properties such as specific orbital angular momentum, rather than just position and velocity. By extending this framework from one satellite to a population of satellites, we can now form simultaneous MW mass estimates using the Illustris-Dark cosmological simulation that are unbiased by high speed satellites such as Leo I (Patel et al., submitted). Our resulting MW mass estimates reduce the current factor of two uncertainty in the mass range of the MW and show promising signs for improvement as upcoming ground- and space-based observatories obtain proper motions for additional MW satellite galaxies.

  3. Formation of truncated proteins and high-molecular-mass aggregates upon soft illumination of photosynthetic proteins

    DEFF Research Database (Denmark)

    Rinalducci, Sara; Campostrini, Natascia; Antonioli, Paolo

    2005-01-01

    Different spot profiles were observed in 2D gel electrophoresis of thylakoid membranes performed either under complete darkness or by leaving the sample for a short time to low visible light. In the latter case, a large number of new spots with lower molecular masses, ranging between 15,000 and 25......,000 Da, were observed, and high-molecular-mass aggregates, seen as a smearing in the upper part of the gel, appeared in the region around 250 kDa. Identification of protein(s) contained in these new spots by MS/MS revealed that most of them are simply truncated proteins deriving from native ones...

  4. Modulated molecular beam mass spectrometry: A generalized expression for the ''reaction product vector'' for linear systems

    International Nuclear Information System (INIS)

    Chang, H.; Weinberg, W.H.

    1977-01-01

    A generalized expression is developed that relates the ''reaction product vector'', epsilon exp(-iphi), to the kinetic parameters of a linear system. The formalism is appropriate for the analysis of modulated molecular beam mass spectrometry data and facilitates the correlation of experimental results to (proposed) linear models. A study of stability criteria appropriate for modulated molecular beam mass spectrometry experiments is also presented. This investigation has led to interesting inherent limitations which have not heretofore been emphasized, as well as a delineation of the conditions under which stable chemical oscillations may occur in the reacting system

  5. Understanding the Role of Wind in Reducing the Surface Mass Balance Estimates over East Antarctica

    Science.gov (United States)

    Das, I.; Scambos, T. A.; Koenig, L.; Creyts, T. T.; Bell, R. E.; van den Broeke, M. R.; Lenaerts, J.; Paden, J. D.

    2014-12-01

    Accurate quantification of surface snow-accumulation over Antarctica is important for mass balance estimates and climate studies based on ice core records. An improved estimate of surface mass balance must include the significant role near-surface wind plays in the sublimation and redistribution of snow across Antarctica. We have developed an empirical model based on airborne radar and lidar observations, and modeled surface mass balance and wind fields to produce a continent-wide prediction of wind-scour zones over Antarctica. These zones have zero to negative surface mass balance, are located over locally steep ice sheet areas (>0.002) and controlled by bedrock topography. The near-surface winds accelerate over these zones, eroding and sublimating the surface snow. This scouring results in numerous localized regions (≤ 200 km2) with reduced surface accumulation. Each year, tens of gigatons of snow on the Antarctic ice sheet are ablated by persistent near-surface katabatic winds over these wind-scour zones. Large uncertainties remain in the surface mass balance estimates over East Antarctica as climate models do not adequately represent the small-scale physical processes that lead to mass loss through sublimation or redistribution over the wind-scour zones. In this study, we integrate Operation IceBridge's snow radar over the Recovery Ice Stream with a series of ice core dielectric and depth-density profiles for improved surface mass balance estimates that reflect the mass loss over the wind-scour zones. Accurate surface mass balance estimates from snow radars require spatially variable depth-density profiles. Using an ensemble of firn cores, MODIS-derived surface snow grain size, modeled accumulation rates and surface temperatures from RACMO2, we assemble spatially variable depth-density profiles and use our mapping of snow density variations to estimate layer mass and net accumulation rates from snow radar layer data. Our study improves the quantification of

  6. Molecular effects in the neutrino mass determination from beta-decay of the tritium molecule

    International Nuclear Information System (INIS)

    Fackler, O.; Jeziorski, B.; Kolos, W.; Szalewicz, K.; Monkhorst, H.J.; Mugge, M.

    1986-03-01

    Molecular final state energies and transition probabilities have been computed for beta-decay of the tritium molecule. The results are of sufficient accuracy to make a determination of the electron neutrino rest mass with an error not exceeding a few tenths of an electron volt. Effects of approximate models of tritium beta-decay on the neutrino mass determination are discussed. 14 refs., 3 figs., 1 tab

  7. Estimation of submarine mass failure probability from a sequence of deposits with age dates

    Science.gov (United States)

    Geist, Eric L.; Chaytor, Jason D.; Parsons, Thomas E.; ten Brink, Uri S.

    2013-01-01

    The empirical probability of submarine mass failure is quantified from a sequence of dated mass-transport deposits. Several different techniques are described to estimate the parameters for a suite of candidate probability models. The techniques, previously developed for analyzing paleoseismic data, include maximum likelihood and Type II (Bayesian) maximum likelihood methods derived from renewal process theory and Monte Carlo methods. The estimated mean return time from these methods, unlike estimates from a simple arithmetic mean of the center age dates and standard likelihood methods, includes the effects of age-dating uncertainty and of open time intervals before the first and after the last event. The likelihood techniques are evaluated using Akaike’s Information Criterion (AIC) and Akaike’s Bayesian Information Criterion (ABIC) to select the optimal model. The techniques are applied to mass transport deposits recorded in two Integrated Ocean Drilling Program (IODP) drill sites located in the Ursa Basin, northern Gulf of Mexico. Dates of the deposits were constrained by regional bio- and magnetostratigraphy from a previous study. Results of the analysis indicate that submarine mass failures in this location occur primarily according to a Poisson process in which failures are independent and return times follow an exponential distribution. However, some of the model results suggest that submarine mass failures may occur quasiperiodically at one of the sites (U1324). The suite of techniques described in this study provides quantitative probability estimates of submarine mass failure occurrence, for any number of deposits and age uncertainty distributions.

  8. Markov chain-based mass estimation method for loose part monitoring system and its performance

    Directory of Open Access Journals (Sweden)

    Sung-Hwan Shin

    2017-10-01

    Full Text Available A loose part monitoring system is used to identify unexpected loose parts in a nuclear reactor vessel or steam generator. It is still necessary for the mass estimation of loose parts, one function of a loose part monitoring system, to develop a new method due to the high estimation error of conventional methods such as Hertz's impact theory and the frequency ratio method. The purpose of this study is to propose a mass estimation method using a Markov decision process and compare its performance with a method using an artificial neural network model proposed in a previous study. First, how to extract feature vectors using discrete cosine transform was explained. Second, Markov chains were designed with codebooks obtained from the feature vector. A 1/8-scaled mockup of the reactor vessel for OPR1000 was employed, and all used signals were obtained by impacting its surface with several solid spherical masses. Next, the performance of mass estimation by the proposed Markov model was compared with that of the artificial neural network model. Finally, it was investigated that the proposed Markov model had matching error below 20% in mass estimation. That was a similar performance to the method using an artificial neural network model and considerably improved in comparison with the conventional methods.

  9. Molecular beam mass spectrometer equipped with a catalytic wall reactor for in situ studies in high temperature catalysis research

    International Nuclear Information System (INIS)

    Horn, R.; Ihmann, K.; Ihmann, J.; Jentoft, F.C.; Geske, M.; Taha, A.; Pelzer, K.; Schloegl, R.

    2006-01-01

    A newly developed apparatus combining a molecular beam mass spectrometer and a catalytic wall reactor is described. The setup has been developed for in situ studies of high temperature catalytic reactions (>1000 deg. C), which involve besides surface reactions also gas phase reactions in their mechanism. The goal is to identify gas phase radicals by threshold ionization. A tubular reactor, made from the catalytic material, is positioned in a vacuum chamber. Expansion of the gas through a 100 μm sampling orifice in the reactor wall into differentially pumped nozzle, skimmer, and collimator chambers leads to the formation of a molecular beam. A quadrupole mass spectrometer with electron impact ion source designed for molecular beam inlet and threshold ionization measurements is used as the analyzer. The sampling time from nozzle to detector is estimated to be less than 10 ms. A detection time resolution of up to 20 ms can be reached. The temperature of the reactor is measured by pyrometry. Besides a detailed description of the setup components and the physical background of the method, this article presents measurements showing the performance of the apparatus. After deriving the shape and width of the energy spread of the ionizing electrons from measurements on N 2 and He we estimated the detection limit in threshold ionization measurements using binary mixtures of CO in N 2 to be in the range of several hundreds of ppm. Mass spectra and threshold ionization measurements recorded during catalytic partial oxidation of methane at 1250 deg. C on a Pt catalyst are presented. The detection of CH 3 · radicals is successfully demonstrated

  10. Molecular beam mass spectrometer equipped with a catalytic wall reactor for in situ studies in high temperature catalysis research

    Science.gov (United States)

    Horn, R.; Ihmann, K.; Ihmann, J.; Jentoft, F. C.; Geske, M.; Taha, A.; Pelzer, K.; Schlögl, R.

    2006-05-01

    A newly developed apparatus combining a molecular beam mass spectrometer and a catalytic wall reactor is described. The setup has been developed for in situ studies of high temperature catalytic reactions (>1000°C), which involve besides surface reactions also gas phase reactions in their mechanism. The goal is to identify gas phase radicals by threshold ionization. A tubular reactor, made from the catalytic material, is positioned in a vacuum chamber. Expansion of the gas through a 100μm sampling orifice in the reactor wall into differentially pumped nozzle, skimmer, and collimator chambers leads to the formation of a molecular beam. A quadrupole mass spectrometer with electron impact ion source designed for molecular beam inlet and threshold ionization measurements is used as the analyzer. The sampling time from nozzle to detector is estimated to be less than 10ms. A detection time resolution of up to 20ms can be reached. The temperature of the reactor is measured by pyrometry. Besides a detailed description of the setup components and the physical background of the method, this article presents measurements showing the performance of the apparatus. After deriving the shape and width of the energy spread of the ionizing electrons from measurements on N2 and He we estimated the detection limit in threshold ionization measurements using binary mixtures of CO in N2 to be in the range of several hundreds of ppm. Mass spectra and threshold ionization measurements recorded during catalytic partial oxidation of methane at 1250°C on a Pt catalyst are presented. The detection of CH3• radicals is successfully demonstrated.

  11. Overview and Assessment of Antarctic Ice-Sheet Mass Balance Estimates: 1992-2009

    Science.gov (United States)

    Zwally, H. Jay; Giovinetto, Mario B.

    2011-01-01

    Mass balance estimates for the Antarctic Ice Sheet (AIS) in the 2007 report by the Intergovernmental Panel on Climate Change and in more recent reports lie between approximately ?50 to -250 Gt/year for 1992 to 2009. The 300 Gt/year range is approximately 15% of the annual mass input and 0.8 mm/year Sea Level Equivalent (SLE). Two estimates from radar altimeter measurements of elevation change by European Remote-sensing Satellites (ERS) (?28 and -31 Gt/year) lie in the upper part, whereas estimates from the Input-minus-Output Method (IOM) and the Gravity Recovery and Climate Experiment (GRACE) lie in the lower part (-40 to -246 Gt/year). We compare the various estimates, discuss the methodology used, and critically assess the results. We also modify the IOM estimate using (1) an alternate extrapolation to estimate the discharge from the non-observed 15% of the periphery, and (2) substitution of input from a field data compilation for input from an atmospheric model in 6% of area. The modified IOM estimate reduces the loss from 136 Gt/year to 13 Gt/year. Two ERS-based estimates, the modified IOM, and a GRACE-based estimate for observations within 1992 2005 lie in a narrowed range of ?27 to -40 Gt/year, which is about 3% of the annual mass input and only 0.2 mm/year SLE. Our preferred estimate for 1992 2001 is -47 Gt/year for West Antarctica, ?16 Gt/year for East Antarctica, and -31 Gt/year overall (?0.1 mm/year SLE), not including part of the Antarctic Peninsula (1.07% of the AIS area). Although recent reports of large and increasing rates of mass loss with time from GRACE-based studies cite agreement with IOM results, our evaluation does not support that conclusion

  12. Black hole mass measurement using molecular gas kinematics: what ALMA can do

    Science.gov (United States)

    Yoon, Ilsang

    2017-04-01

    We study the limits of the spatial and velocity resolution of radio interferometry to infer the mass of supermassive black holes (SMBHs) in galactic centres using the kinematics of circum-nuclear molecular gas, by considering the shapes of the galaxy surface brightness profile, signal-to-noise ratios (S/Ns) of the position-velocity diagram (PVD) and systematic errors due to the spatial and velocity structure of the molecular gas. We argue that for fixed galaxy stellar mass and SMBH mass, the spatial and velocity scales that need to be resolved increase and decrease, respectively, with decreasing Sérsic index of the galaxy surface brightness profile. We validate our arguments using simulated PVDs for varying beam size and velocity channel width. Furthermore, we consider the systematic effects on the inference of the SMBH mass by simulating PVDs including the spatial and velocity structure of the molecular gas, which demonstrates that their impacts are not significant for a PVD with good S/N unless the spatial and velocity scale associated with the systematic effects are comparable to or larger than the angular resolution and velocity channel width of the PVD from pure circular motion. Also, we caution that a bias in a galaxy surface brightness profile owing to the poor resolution of a galaxy photometric image can largely bias the SMBH mass by an order of magnitude. This study shows the promise and the limits of ALMA observations for measuring SMBH mass using molecular gas kinematics and provides a useful technical justification for an ALMA proposal with the science goal of measuring SMBH mass.

  13. Note: A versatile mass spectrometer chamber for molecular beam and temperature programmed desorption experiments

    Energy Technology Data Exchange (ETDEWEB)

    Tonks, James P., E-mail: james.tonks@awe.co.uk [Department of Mechanical Engineering Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); AWE Plc, Aldermaston, Reading, Berkshire RG7 4PR (United Kingdom); Galloway, Ewan C., E-mail: ewan.galloway@awe.co.uk; King, Martin O. [AWE Plc, Aldermaston, Reading, Berkshire RG7 4PR (United Kingdom); Kerherve, Gwilherm [VACGEN Ltd, St. Leonards-On-Sea, East Sussex TN38 9NN (United Kingdom); Watts, John F. [Department of Mechanical Engineering Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom)

    2016-08-15

    A dual purpose mass spectrometer chamber capable of performing molecular beam scattering (MBS) and temperature programmed desorption (TPD) is detailed. Two simple features of this design allow it to perform these techniques. First, the diameter of entrance aperture to the mass spectrometer can be varied to maximize signal for TPD or to maximize angular resolution for MBS. Second, the mass spectrometer chamber can be radially translated so that it can be positioned close to the sample to maximize signal or far from the sample to maximize angular resolution. The performance of this system is described and compares well with systems designed for only one of these techniques.

  14. Molecular theory of mass transfer kinetics and dynamics at gas-water interface

    International Nuclear Information System (INIS)

    Morita, Akihiro; Garrett, Bruce C

    2008-01-01

    The mass transfer mechanism across gas-water interface is studied with molecular dynamics (MD) simulation. The MD results provide a robust and qualitatively consistent picture to previous studies about microscopic aspects of mass transfer, including interface structure, free energy profiles for the uptake, scattering dynamics and energy relaxation of impinging molecules. These MD results are quantitatively compared with experimental uptake measurements, and we find that the apparent inconsistency between MD and experiment could be partly resolved by precise decomposition of the observed kinetics into elemental steps. Remaining issues and future perspectives toward constructing a comprehensive multi-scale description of interfacial mass transfer are summarized.

  15. A High-Mass Cold Core in the Auriga-California Giant Molecular Cloud

    Science.gov (United States)

    Magnus McGehee, Peregrine; Paladini, Roberta; Pelkonen, Veli-Matti; Toth, Viktor; Sayers, Jack

    2015-08-01

    The Auriga-California Giant Molecular Cloud is noted for its relatively low star formation rate, especially at the high-mass end of the Initial Mass Function. We combine maps acquired by the Caltech Submillimeter Observatory's Multiwavelength Submillimeter Inductance Camera [MUSIC] in the wavelength range 0.86 to 2.00 millimeters with Planck and publicly-available Herschel PACS and SPIRE data in order to characterize the mass, dust properties, and environment of the bright core PGCC G163.32-8.41.

  16. Cocoa content influences chocolate molecular profile investigated by MALDI-TOF mass spectrometry.

    Science.gov (United States)

    Bonatto, Cínthia C; Silva, Luciano P

    2015-06-01

    Chocolate authentication is a key aspect of quality control and safety. Matrix-assisted laser desorption ionization time-of flight (MALDI-TOF) mass spectrometry (MS) has been demonstrated to be useful for molecular profiling of cells, tissues, and even food. The present study evaluated if MALDI-TOF MS analysis on low molecular mass profile may classify chocolate samples according to the cocoa content. The molecular profiles of seven processed commercial chocolate samples were compared by using MALDI-TOF MS. Some ions detected exclusively in chocolate samples corresponded to the metabolites of cocoa or other constituents. This method showed the presence of three distinct clusters according to confectionery and sensorial features of the chocolates and was used to establish a mass spectra database. Also, novel chocolate samples were evaluated in order to check the validity of the method and to challenge the database created with the mass spectra of the primary samples. Thus, the method was shown to be reliable for clustering unknown samples into the main chocolate categories. Simple sample preparation of the MALDI-TOF MS approach described will allow the surveillance and monitoring of constituents during the molecular profiling of chocolates. © 2014 Society of Chemical Industry.

  17. Heterogeneous chemical kinetics by modulated molecular beam mass spectrometry: limitations of technique

    International Nuclear Information System (INIS)

    Olander, D.R.

    1977-01-01

    The advantages and limitations of modulated molecular beam, mass spectrometry as applied to the study of heterogeneous chemical kinetics are reviewed. The process of deducing a model of the surface reaction from experimental data is illustrated by analysis of the hydrogen reduction of uranium dioxide

  18. ACYLTRANSFERASE ACTIVITIES OF THE HIGH-MOLECULAR-MASS ESSENTIAL PENICILLIN-BINDING PROTEINS

    NARCIS (Netherlands)

    ADAM, M; DAMBLON, C; JAMIN, M; ZORZI, W; DUSART, [No Value; GALLENI, M; ELKHARROUBI, A; PIRAS, G; SPRATT, BG; KECK, W; COYETTE, J; GHUYSEN, JM; NGUYENDISTECHE, M; FRERE, JM

    1991-01-01

    The high-molecular-mass penicillin-binding proteins (HMM-PBPs), present in the cytoplasmic membranes of all eubacteria, are involved in important physiological events such as cell elongation, septation or shape determination. Up to now it has, however, been very difficult or impossible to study the

  19. Molecular outflows driven by low-mass protostars. I. Correcting for underestimates when measuring outflow masses and dynamical properties

    Energy Technology Data Exchange (ETDEWEB)

    Dunham, Michael M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS 78, Cambridge, MA 02138 (United States); Arce, Héctor G. [Department of Astronomy, Yale University, P.O. Box 208101, New Haven, CT 06520 (United States); Mardones, Diego [Departamento de Astronomía, Universidad de Chile, Casilla 36-D, Santiago (Chile); Lee, Jeong-Eun [Department of Astronomy and Space Science, Kyung Hee University, Yongin, Gyeonggi 446-701 (Korea, Republic of); Matthews, Brenda C. [National Research Council of Canada, Herzberg Astronomy and Astrophysics, 5071 W. Saanich Road, Victoria, BC V9E 2E7 (Canada); Stutz, Amelia M. [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117, Heidelberg (Germany); Williams, Jonathan P., E-mail: mdunham@cfa.harvard.edu [Institute for Astronomy, University of Hawaii, Honolulu, HI 96822 (United States)

    2014-03-01

    We present a survey of 28 molecular outflows driven by low-mass protostars, all of which are sufficiently isolated spatially and/or kinematically to fully separate into individual outflows. Using a combination of new and archival data from several single-dish telescopes, 17 outflows are mapped in {sup 12}CO (2-1) and 17 are mapped in {sup 12}CO (3-2), with 6 mapped in both transitions. For each outflow, we calculate and tabulate the mass (M {sub flow}), momentum (P {sub flow}), kinetic energy (E {sub flow}), mechanical luminosity (L {sub flow}), and force (F {sub flow}) assuming optically thin emission in LTE at an excitation temperature, T {sub ex}, of 50 K. We show that all of the calculated properties are underestimated when calculated under these assumptions. Taken together, the effects of opacity, outflow emission at low velocities confused with ambient cloud emission, and emission below the sensitivities of the observations increase outflow masses and dynamical properties by an order of magnitude, on average, and factors of 50-90 in the most extreme cases. Different (and non-uniform) excitation temperatures, inclination effects, and dissociation of molecular gas will all work to further increase outflow properties. Molecular outflows are thus almost certainly more massive and energetic than commonly reported. Additionally, outflow properties are lower, on average, by almost an order of magnitude when calculated from the {sup 12}CO (3-2) maps compared to the {sup 12}CO (2-1) maps, even after accounting for different opacities, map sensitivities, and possible excitation temperature variations. It has recently been argued in the literature that the {sup 12}CO (3-2) line is subthermally excited in outflows, and our results support this finding.

  20. Mass estimation of loose parts in nuclear power plant based on multiple regression

    International Nuclear Information System (INIS)

    He, Yuanfeng; Cao, Yanlong; Yang, Jiangxin; Gan, Chunbiao

    2012-01-01

    According to the application of the Hilbert–Huang transform to the non-stationary signal and the relation between the mass of loose parts in nuclear power plant and corresponding frequency content, a new method for loose part mass estimation based on the marginal Hilbert–Huang spectrum (MHS) and multiple regression is proposed in this paper. The frequency spectrum of a loose part in a nuclear power plant can be expressed by the MHS. The multiple regression model that is constructed by the MHS feature of the impact signals for mass estimation is used to predict the unknown masses of a loose part. A simulated experiment verified that the method is feasible and the errors of the results are acceptable. (paper)

  1. Rock mass mechanical property estimation strategy for the Yucca Mountain Site Characterization Project

    International Nuclear Information System (INIS)

    Lin, M.; Brechtel, C.E.; Hardy, M.P.; Bauer, S.J.

    1992-01-01

    This paper presents a method of estimating the rock mass properties for the welded and nonwelded tuffs based on currently available information on intact rock and joint characteristics at the Yucca Mountain site. Variability of the expected ground conditions at the potential repository horizon (the TSw2 thermomechanical unit) and in the Calico Hills nonwelded tuffs is accommodated by defining five rock mass quality categories in each unit based upon assumed and observed distributions of the data

  2. Estimating the mass of the Local Group using machine learning applied to numerical simulations

    Science.gov (United States)

    McLeod, M.; Libeskind, N.; Lahav, O.; Hoffman, Y.

    2017-12-01

    We present a new approach to calculating the combined mass of the Milky Way (MW) and Andromeda (M31), which together account for the bulk of the mass of the Local Group (LG). We base our work on an ensemble of 30,190 halo pairs from the Small MultiDark simulation, assuming a ΛCDM (Cosmological Constant and Cold Dark Matter) cosmology. This is used in conjunction with machine learning methods (artificial neural networks, ANN) to investigate the relationship between the mass and selected parameters characterising the orbit and local environment of the binary. ANN are employed to take account of additional physics arising from interactions with larger structures or dynamical effects which are not analytically well understood. Results from the ANN are most successful when the velocity shear is provided, which demonstrates the flexibility of machine learning to model physical phenomena and readily incorporate new information. The resulting estimate for the Local Group mass, when shear information is included, is 4.9×1012Msolar, with an error of ±0.8×1012Msolar from the 68% uncertainty in observables, and a r.m.s. scatter interval of +1.7‑1.3×1012Msolar estimated scatter from the differences between the model estimates and simulation masses for a testing sample of halo pairs. We also consider a recently reported large relative transverse velocity of M31 and the Milky Way, and produce an alternative mass estimate of 3.6±0.3+2.1‑1.3×1012Msolar. Although the methods used predict similar values for the most likely mass of the LG, application of ANN compared to the traditional Timing Argument reduces the scatter in the log mass by approximately half when tested on samples from the simulation.

  3. Thermally modulated nano-trampoline material as smart skin for gas molecular mass detection

    Science.gov (United States)

    Xia, Hua

    2012-06-01

    Conventional multi-component gas analysis is based either on laser spectroscopy, laser and photoacoustic absorption at specific wavelengths, or on gas chromatography by separating the components of a gas mixture primarily due to boiling point (or vapor pressure) differences. This paper will present a new gas molecular mass detection method based on thermally modulated nano-trampoline material as smart skin for gas molecular mass detection by fiber Bragg grating-based gas sensors. Such a nanomaterial and fiber Bragg grating integrated sensing device has been designed to be operated either at high-energy level (highly thermal strained status) or at low-energy level (low thermal strained status). Thermal energy absorption of gas molecular trigs the sensing device transition from high-thermal-energy status to low-thermal- energy status. Experiment has shown that thermal energy variation due to gas molecular thermal energy absorption is dependent upon the gas molecular mass, and can be detected by fiber Bragg resonant wavelength shift with a linear function from 17 kg/kmol to 32 kg/kmol and a sensitivity of 0.025 kg/kmol for a 5 micron-thick nano-trampoline structure and fiber Bragg grating integrated gas sensing device. The laboratory and field validation data have further demonstrated its fast response characteristics and reliability to be online gas analysis instrument for measuring effective gas molecular mass from single-component gas, binary-component gas mixture, and multi-gas mixture. The potential industrial applications include fouling and surge control for gas charge centrifugal compressor ethylene production, gas purity for hydrogen-cooled generator, gasification for syngas production, gasoline/diesel and natural gas fuel quality monitoring for consumer market.

  4. The SVM Method for Fissile Mass Estimation through Passive Neutron Interrogation: Advances and Developments

    International Nuclear Information System (INIS)

    Dubi, C.; Shvili, Israel I.

    2014-01-01

    Fissile mass estimation through passive neutron interrogation is now one of the main techniques for NDT of fissile mass estimation, due to the relative transparency of neutron radiation to structural materials- making it extremely effective in poorly characterized or dirty samples . Passive neutron interrogation relies on the fact that the number of neutrons emitted (per time unit) due to spontaneous fissions from the sample is proportional to the mass of the detected sample. However, since the measurement is effected by additional neutron sources- mainly (D±n) reactions and induced fission chain in the tested sample, a naive estimation, assuming a linear correspondence between the mass of the detected sample and the average number of detections, is bound to give an over estimation of the mass. Since most passive interrogation facilities are based on 3He detectors, the origin of the neutron cannot be determined by analyzing the energy spectrum (as all neutrons arrive at the detector in more or less the same energy), and a mathematical 'filter' is used to evaluate the noise to source ratio in the detection signal. The basic idea behind the mathematical filter is to utilize the fact that the different neutron sources have different statistical attributes- in particular, both the source event rate and the distribution of the number of neutrons released in each event differs between the different sources. There for, by studying the higher moments of the neutron population, new information about the source to noise ration may be obtained

  5. The diverse and expanding role of mass spectrometry in structural and molecular biology.

    Science.gov (United States)

    Lössl, Philip; van de Waterbeemd, Michiel; Heck, Albert Jr

    2016-12-15

    The emergence of proteomics has led to major technological advances in mass spectrometry (MS). These advancements not only benefitted MS-based high-throughput proteomics but also increased the impact of mass spectrometry on the field of structural and molecular biology. Here, we review how state-of-the-art MS methods, including native MS, top-down protein sequencing, cross-linking-MS, and hydrogen-deuterium exchange-MS, nowadays enable the characterization of biomolecular structures, functions, and interactions. In particular, we focus on the role of mass spectrometry in integrated structural and molecular biology investigations of biological macromolecular complexes and cellular machineries, highlighting work on CRISPR-Cas systems and eukaryotic transcription complexes. © 2016 The Authors. Published under the terms of the CC BY NC ND 4.0 license.

  6. A Simple Analytic Model for Estimating Mars Ascent Vehicle Mass and Performance

    Science.gov (United States)

    Woolley, Ryan C.

    2014-01-01

    The Mars Ascent Vehicle (MAV) is a crucial component in any sample return campaign. In this paper we present a universal model for a two-stage MAV along with the analytic equations and simple parametric relationships necessary to quickly estimate MAV mass and performance. Ascent trajectories can be modeled as two-burn transfers from the surface with appropriate loss estimations for finite burns, steering, and drag. Minimizing lift-off mass is achieved by balancing optimized staging and an optimized path-to-orbit. This model allows designers to quickly find optimized solutions and to see the effects of design choices.

  7. Facing the estimation of effective population size based on molecular markers: comparison of estimators

    DEFF Research Database (Denmark)

    Jimenez Mena, Belen; Verrier, Etienne; Hospital, Frederic

    an increase in the variability of values over time. The distance from the mean and the median to the true Ne increased over time too. This was caused by the fixation of alleles through time due to genetic drift and the changes in the distribution of allele frequencies. We compared the three estimators of Ne...

  8. Mass discharge estimation from contaminated sites: Multi-model solutions for assessment of conceptual uncertainty

    Science.gov (United States)

    Thomsen, N. I.; Troldborg, M.; McKnight, U. S.; Binning, P. J.; Bjerg, P. L.

    2012-04-01

    Mass discharge estimates are increasingly being used in the management of contaminated sites. Such estimates have proven useful for supporting decisions related to the prioritization of contaminated sites in a groundwater catchment. Potential management options can be categorised as follows: (1) leave as is, (2) clean up, or (3) further investigation needed. However, mass discharge estimates are often very uncertain, which may hamper the management decisions. If option 1 is incorrectly chosen soil and water quality will decrease, threatening or destroying drinking water resources. The risk of choosing option 2 is to spend money on remediating a site that does not pose a problem. Choosing option 3 will often be safest, but may not be the optimal economic solution. Quantification of the uncertainty in mass discharge estimates can therefore greatly improve the foundation for selecting the appropriate management option. The uncertainty of mass discharge estimates depends greatly on the extent of the site characterization. A good approach for uncertainty estimation will be flexible with respect to the investigation level, and account for both parameter and conceptual model uncertainty. We propose a method for quantifying the uncertainty of dynamic mass discharge estimates from contaminant point sources on the local scale. The method considers both parameter and conceptual uncertainty through a multi-model approach. The multi-model approach evaluates multiple conceptual models for the same site. The different conceptual models consider different source characterizations and hydrogeological descriptions. The idea is to include a set of essentially different conceptual models where each model is believed to be realistic representation of the given site, based on the current level of information. Parameter uncertainty is quantified using Monte Carlo simulations. For each conceptual model we calculate a transient mass discharge estimate with uncertainty bounds resulting from

  9. Progress toward Consensus Estimates of Regional Glacier Mass Balances for IPCC AR5

    Science.gov (United States)

    Arendt, A. A.; Gardner, A. S.; Cogley, J. G.

    2011-12-01

    Glaciers are potentially large contributors to rising sea level. Since the last IPCC report in 2007 (AR4), there has been a widespread increase in the use of geodetic observations from satellite and airborne platforms to complement field observations of glacier mass balance, as well as significant improvements in the global glacier inventory. Here we summarize our ongoing efforts to integrate data from multiple sources to arrive at a consensus estimate for each region, and to quantify uncertainties in those estimates. We will use examples from Alaska to illustrate methods for combining Gravity Recovery and Climate Experiment (GRACE), elevation differencing and field observations into a single time series with related uncertainty estimates. We will pay particular attention to reconciling discrepancies between GRACE estimates from multiple processing centers. We will also investigate the extent to which improvements in the glacier inventory affect the accuracy of our regional mass balances.

  10. Phylogenetic estimates of diversification rate are affected by molecular rate variation.

    Science.gov (United States)

    Duchêne, D A; Hua, X; Bromham, L

    2017-10-01

    Molecular phylogenies are increasingly being used to investigate the patterns and mechanisms of macroevolution. In particular, node heights in a phylogeny can be used to detect changes in rates of diversification over time. Such analyses rest on the assumption that node heights in a phylogeny represent the timing of diversification events, which in turn rests on the assumption that evolutionary time can be accurately predicted from DNA sequence divergence. But there are many influences on the rate of molecular evolution, which might also influence node heights in molecular phylogenies, and thus affect estimates of diversification rate. In particular, a growing number of studies have revealed an association between the net diversification rate estimated from phylogenies and the rate of molecular evolution. Such an association might, by influencing the relative position of node heights, systematically bias estimates of diversification time. We simulated the evolution of DNA sequences under several scenarios where rates of diversification and molecular evolution vary through time, including models where diversification and molecular evolutionary rates are linked. We show that commonly used methods, including metric-based, likelihood and Bayesian approaches, can have a low power to identify changes in diversification rate when molecular substitution rates vary. Furthermore, the association between the rates of speciation and molecular evolution rate can cause the signature of a slowdown or speedup in speciation rates to be lost or misidentified. These results suggest that the multiple sources of variation in molecular evolutionary rates need to be considered when inferring macroevolutionary processes from phylogenies. © 2017 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2017 European Society For Evolutionary Biology.

  11. Estimation of deuterium content in organic compounds by mass spectrometric methods

    International Nuclear Information System (INIS)

    Dave, S.M.; Goomer, N.C.

    1979-01-01

    Many organic sompounds are finding increasing importance in heavy water enrichment programme. New methods based on quantitative chemical conversion have been developed and standardized in for estimating deuterium contents of the exchanging organic molecules by mass spectrometry. The methods have been selected in such a way that the deuterium contents of both exchangeable as well as total hydrogens in the molecule can be conveniently estimated. (auth.)

  12. Molecular weight determination of bisbenzyl-isoquinoline alkaloids by 252Cf-plasma desorption mass spectrometer

    International Nuclear Information System (INIS)

    Kohno, Hiroyuki; Tatsunami, Shinobu; Hiroi, Tomoko; Kouyama, Hiroshi; Taniguchi, Masashi; Yago, Nagasumi; Nakamura, Iwao

    1995-01-01

    Bisbenzylisoquinoline alkaloids of Stephania cepharantha have been used for various clinical purposes and recently reevaluated as stimulators of interleukin secretion in tissues. We analyzed molecular stuctures of bisbenzylisoquinoline alkaloids by determining their molecular weights using the 252 Cf-plasma desorption mass spectrometry (PDMS). The spectra were accumulated for 500 000 fission events. The acceleration voltage used here was 15 kV. Samples were analyzed using nitrocellulose-coated sample targets. Of the 5 alkaloids studied here, cepharanthine gave a main peak of molecular weight of 606.1 for the theoretical molecular weight of 606.7. The other minor peaks were considered to be demethylated fragment ions. 252 Cf-PDMS should be quite useful in studying structure, metabolism and pharmacokinetics of various drugs with extremely low coefficients of variation. (author)

  13. Remote Sensing of Cryosphere: Estimation of Mass Balance Change in Himalayan Glaciers

    Science.gov (United States)

    Ambinakudige, Shrinidhi; Joshi, Kabindra

    2012-07-01

    Glacial changes are an important indicator of climate change. Our understanding mass balance change in Himalayan glaciers is limited. This study estimates mass balance of some major glaciers in the Sagarmatha National Park (SNP) in Nepal using remote sensing applications. Remote sensing technique to measure mass balance of glaciers is an important methodological advance in the highly rugged Himalayan terrain. This study uses ASTER VNIR, 3N (nadir view) and 3B (backward view) bands to generate Digital Elevation Models (DEMs) for the SNP area for the years 2002, 2003, 2004 and 2005. Glacier boundaries were delineated using combination of boundaries available in the Global land ice measurement (GLIMS) database and various band ratios derived from ASTER images. Elevation differences, glacial area, and ice densities were used to estimate the change in mass balance. The results indicated that the rate of glacier mass balance change was not uniform across glaciers. While there was a decrease in mass balance of some glaciers, some showed increase. This paper discusses how each glacier in the SNP area varied in its annual mass balance measurement during the study period.

  14. Combining Radiation Epidemiology With Molecular Biology-Changing From Health Risk Estimates to Therapeutic Intervention.

    Science.gov (United States)

    Abend, Michael; Port, Matthias

    2016-08-01

    The authors herein summarize six presentations dedicated to the key session "molecular radiation epidemiology" of the ConRad meeting 2015. These presentations were chosen in order to highlight the promise when combining conventional radiation epidemiology with molecular biology. Conventional radiation epidemiology uses dose estimates for risk predictions on health. However, combined with molecular biology, dose-dependent bioindicators of effect hold the promise to improve clinical diagnostics and to provide target molecules for potential therapeutic intervention. One out of the six presentations exemplified the use of radiation-induced molecular changes as biomarkers of exposure by measuring stabile chromosomal translocations. The remaining five presentations focused on molecular changes used as bioindicators of the effect. These bioindicators of the effect could be used for diagnostic purposes on colon cancers (genomic instability), thyroid cancer (CLIP2), or head and neck squamous cell cancers. Therapeutic implications of gene expression changes were examined in Chernobyl thyroid cancer victims and Mayak workers.

  15. Methods for the quantitative comparison of molecular estimates of clade age and the fossil record.

    Science.gov (United States)

    Clarke, Julia A; Boyd, Clint A

    2015-01-01

    Approaches quantifying the relative congruence, or incongruence, of molecular divergence estimates and the fossil record have been limited. Previously proposed methods are largely node specific, assessing incongruence at particular nodes for which both fossil data and molecular divergence estimates are available. These existing metrics, and other methods that quantify incongruence across topologies including entirely extinct clades, have so far not taken into account uncertainty surrounding both the divergence estimates and the ages of fossils. They have also treated molecular divergence estimates younger than previously assessed fossil minimum estimates of clade age as if they were the same as cases in which they were older. However, these cases are not the same. Recovered divergence dates younger than compared oldest known occurrences require prior hypotheses regarding the phylogenetic position of the compared fossil record and standard assumptions about the relative timing of morphological and molecular change to be incorrect. Older molecular dates, by contrast, are consistent with an incomplete fossil record and do not require prior assessments of the fossil record to be unreliable in some way. Here, we compare previous approaches and introduce two new descriptive metrics. Both metrics explicitly incorporate information on uncertainty by utilizing the 95% confidence intervals on estimated divergence dates and data on stratigraphic uncertainty concerning the age of the compared fossils. Metric scores are maximized when these ranges are overlapping. MDI (minimum divergence incongruence) discriminates between situations where molecular estimates are younger or older than known fossils reporting both absolute fit values and a number score for incompatible nodes. DIG range (divergence implied gap range) allows quantification of the minimum increase in implied missing fossil record induced by enforcing a given set of molecular-based estimates. These metrics are used

  16. Empirical estimation of present-day Antarctic glacial isostatic adjustment and ice mass change

    Science.gov (United States)

    Gunter, B. C.; Didova, O.; Riva, R. E. M.; Ligtenberg, S. R. M.; Lenaerts, J. T. M.; King, M. A.; van den Broeke, M. R.; Urban, T.

    2014-04-01

    This study explores an approach that simultaneously estimates Antarctic mass balance and glacial isostatic adjustment (GIA) through the combination of satellite gravity and altimetry data sets. The results improve upon previous efforts by incorporating a firn densification model to account for firn compaction and surface processes as well as reprocessed data sets over a slightly longer period of time. A range of different Gravity Recovery and Climate Experiment (GRACE) gravity models were evaluated and a new Ice, Cloud, and Land Elevation Satellite (ICESat) surface height trend map computed using an overlapping footprint approach. When the GIA models created from the combination approach were compared to in situ GPS ground station displacements, the vertical rates estimated showed consistently better agreement than recent conventional GIA models. The new empirically derived GIA rates suggest the presence of strong uplift in the Amundsen Sea sector in West Antarctica (WA) and the Philippi/Denman sectors, as well as subsidence in large parts of East Antarctica (EA). The total GIA-related mass change estimates for the entire Antarctic ice sheet ranged from 53 to 103 Gt yr-1, depending on the GRACE solution used, with an estimated uncertainty of ±40 Gt yr-1. Over the time frame February 2003-October 2009, the corresponding ice mass change showed an average value of -100 ± 44 Gt yr-1 (EA: 5 ± 38, WA: -105 ± 22), consistent with other recent estimates in the literature, with regional mass loss mostly concentrated in WA. The refined approach presented in this study shows the contribution that such data combinations can make towards improving estimates of present-day GIA and ice mass change, particularly with respect to determining more reliable uncertainties.

  17. A low thermal mass fast gas chromatograph and its implementation in fast gas chromatography mass spectrometry with supersonic molecular beams.

    Science.gov (United States)

    Fialkov, Alexander B; Moragn, Mati; Amirav, Aviv

    2011-12-30

    A new type of low thermal mass (LTM) fast gas chromatograph (GC) was designed and operated in combination with gas chromatography mass spectrometry (GC-MS) with supersonic molecular beams (SMB), including GC-MS-MS with SMB, thereby providing a novel combination with unique capabilities. The LTM fast GC is based on a short capillary column inserted inside a stainless steel tube that is resistively heated. It is located and mounted outside the standard GC oven on its available top detector port, while the capillary column is connected as usual to the standard GC injector and supersonic molecular beam interface transfer line. This new type of fast GC-MS with SMB enables less than 1 min full range temperature programming and cooling down analysis cycle time. The operation of the fast GC-MS with SMB was explored and 1 min full analysis cycle time of a mixture of 16 hydrocarbons in the C(10)H(22) up to C(44)H(90) range was achieved. The use of 35 mL/min high column flow rate enabled the elution of C(44)H(90) in less than 45 s while the SMB interface enabled splitless acceptance of this high flow rate and the provision of dominant molecular ions. A novel compound 9-benzylazidanthracene was analyzed for its purity and a synthetic chemistry process was monitored for the optimization of the chemical reaction yield. Biodiesel was analyzed in jet fuel (by both GC-MS and GC-MS-MS) in under 1 min as 5 ppm fatty acid methyl esters. Authentic iprodion and cypermethrin pesticides were analyzed in grapes extract in both full scan mode and fast GC-MS-MS mode in under 1 min cycle time and explosive mixture including TATP, TNT and RDX was analyzed in under 1 min combined with exhibiting dominant molecular ion for TATP. Fast GC-MS with SMB is based on trading GC separation for speed of analysis while enhancing the separation power of the MS via the enhancement of the molecular ion in the electron ionization of cold molecules in the SMB. This paper further discusses several features of

  18. Uranium mass and neutron multiplication factor estimates from time-correlation coincidence counts

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Wenxiong [China Academy of Engineering Physics, Center for Strategic Studies, Beijing 100088 (China); Li, Jiansheng [China Academy of Engineering Physics, Institute of Nuclear Physics and Chemistry, Mianyang 621900 (China); Zhu, Jianyu [China Academy of Engineering Physics, Center for Strategic Studies, Beijing 100088 (China)

    2015-10-11

    Time-correlation coincidence counts of neutrons are an important means to measure attributes of nuclear material. The main deficiency in the analysis is that an attribute of an unknown component can only be assessed by comparing it with similar known components. There is a lack of a universal method of measurement suitable for the different attributes of the components. This paper presents a new method that uses universal relations to estimate the mass and neutron multiplication factor of any uranium component with known enrichment. Based on numerical simulations and analyses of 64 highly enriched uranium components with different thicknesses and average radii, the relations between mass, multiplication and coincidence spectral features have been obtained by linear regression analysis. To examine the validity of the method in estimating the mass of uranium components with different sizes, shapes, enrichment, and shielding, the features of time-correlation coincidence-count spectra for other objects with similar attributes are simulated. Most of the masses and multiplications for these objects could also be derived by the formulation. Experimental measurements of highly enriched uranium castings have also been used to verify the formulation. The results show that for a well-designed time-dependent coincidence-count measuring system of a uranium attribute, there are a set of relations dependent on the uranium enrichment by which the mass and multiplication of the measured uranium components of any shape and size can be estimated from the features of the source-detector coincidence-count spectrum.

  19. Influence of temporally variable groundwater flow conditions on point measurements and contaminant mass flux estimations

    DEFF Research Database (Denmark)

    Rein, Arno; Bauer, S; Dietrich, P

    2009-01-01

    Monitoring of contaminant concentrations, e.g., for the estimation of mass discharge or contaminant degradation rates. often is based on point measurements at observation wells. In addition to the problem, that point measurements may not be spatially representative. a further complication may ari...

  20. Two-Dimensional Echocardiography Estimates of Fetal Ventricular Mass throughout Gestation.

    Science.gov (United States)

    Aye, Christina Y L; Lewandowski, Adam James; Ohuma, Eric O; Upton, Ross; Packham, Alice; Kenworthy, Yvonne; Roseman, Fenella; Norris, Tess; Molloholli, Malid; Wanyonyi, Sikolia; Papageorghiou, Aris T; Leeson, Paul

    2017-08-12

    Two-dimensional (2D) ultrasound quality has improved in recent years. Quantification of cardiac dimensions is important to screen and monitor certain fetal conditions. We assessed the feasibility and reproducibility of fetal ventricular measures using 2D echocardiography, reported normal ranges in our cohort, and compared estimates to other modalities. Mass and end-diastolic volume were estimated by manual contouring in the four-chamber view using TomTec Image Arena 4.6 in end diastole. Nomograms were created from smoothed centiles of measures, constructed using fractional polynomials after log transformation. The results were compared to those of previous studies using other modalities. A total of 294 scans from 146 fetuses from 15+0 to 41+6 weeks of gestation were included. Seven percent of scans were unanalysable and intraobserver variability was good (intraclass correlation coefficients for left and right ventricular mass 0.97 [0.87-0.99] and 0.99 [0.95-1.0], respectively). Mass and volume increased exponentially, showing good agreement with 3D mass estimates up to 28 weeks of gestation, after which our measurements were in better agreement with neonatal cardiac magnetic resonance imaging. There was good agreement with 4D volume estimates for the left ventricle. Current state-of-the-art 2D echocardiography platforms provide accurate, feasible, and reproducible fetal ventricular measures across gestation, and in certain circumstances may be the modality of choice. © 2017 S. Karger AG, Basel.

  1. Improved variational estimates for the mass gap in the 2-dimensional XY-model

    International Nuclear Information System (INIS)

    Patkos, A.; Hari Dass, N.D.

    1982-07-01

    The variational estimate obtained recently for the mass gap of the 2-dimensional XY-model is improved by extending the treatment to higher powers of the transfer operator. The relativistic dispersion relation for single particle states of low momentum is also verified. (Auth.)

  2. Structural features of lipoarabinomannan from Mycobacterium bovis BCG. Determination of molecular mass by laser desorption mass spectrometry.

    Science.gov (United States)

    Venisse, A; Berjeaud, J M; Chaurand, P; Gilleron, M; Puzo, G

    1993-06-15

    It was recently shown that mycobacterial lipoarabinomannan (LAM) can be classified into two types (Chatterjee, D., Lowell, K., Rivoire B., McNeil M. R., and Brennan, P. J. (1992) J. Biol. Chem. 267, 6234-6239) according to the presence or absence of mannosyl residues (Manp) located at the nonreducing end of the oligoarabinosyl side chains. These two types of LAM were found in a pathogenic Mycobacterium tuberculosis strain and in an avirulent M. tuberculosis strain, respectively, suggesting that LAM with Manp characterizes virulent and "disease-inducing strains." We now report the structure of the LAM from Mycobacterium bovis Bacille Calmette-Guérin (BCG) strain Pasteur, largely used throughout the world as vaccine against tuberculosis. Using an up-to-date analytical approach, we found that the LAM of M. bovis BCG belongs to the class of LAMs capped with Manp. By means of two-dimensional homonuclear and heteronuclear scalar coupling NMR analysis and methylation data, the sugar spin system assignments were partially established, revealing that the LAM contained two types of terminal Manp and 2-O-linked Manp. From the following four-step process: (i) partial hydrolysis of deacylated LAM (dLAM), (ii) oligosaccharide derivatization with aminobenzoic ethyl ester, (iii) HPLC purification, (iv) FAB/MS-MS analysis; it was shown that the dimannosyl unit alpha-D-Manp-(1-->2)-alpha-D-Manp is the major residue capping the termini of the arabinan of the LAM. In this report, LAM molecular mass determination was established using matrix-assisted UV-laser desorption/ionization mass spectrometry which reveals that the LAM molecular mass is around 17.4 kDa. The similarity of the LAM structures between M. bovis BCG and M. tuberculosis H37Rv is discussed in regard to their function in the immunopathology of mycobacterial infection.

  3. CAN DUST EMISSION BE USED TO ESTIMATE THE MASS OF THE INTERSTELLAR MEDIUM IN GALAXIES-A PILOT PROJECT WITH THE HERSCHEL REFERENCE SURVEY

    Energy Technology Data Exchange (ETDEWEB)

    Eales, Stephen; Smith, Matthew W. L.; Auld, Robbie; Davies, Jon; Gear, Walter; Gomez, Haley [School of Physics and Astronomy, Cardiff University, Queens Buildings, The Parade, Cardiff CF24 3AA (United Kingdom); Baes, Maarten; De Looze, Ilse; Gentile, Gianfranco; Fritz, Jacopo [Sterrenkundig Observatorium, Universiteit Gent, Krijgslaan 281 S9, B-9000 Gent (Belgium); Bendo, George J. [UK ALMA Regional Centre Node, Jodrell Bank Centre for Astrophysics, School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); Bianchi, Simone [INAF-Osservatorio Astrofisico di Arcetri, Largo E. Fermi 5, I-50125 Firenze (Italy); Boselli, Alessandro; Ciesla, Laure [Laboratoire d' Astrophysique de Marseilles, UMR6110 CNRS, 38 rue F. Joliot-Curie, F-1338 Marseilles (France); Clements, David [Astrophysics Group, Imperial College, Blackett Lab, Prince Consort Road, London SW7 2AZ (United Kingdom); Cooray, Asantha [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Cortese, Luca [European Southern Observatory, Karl-Schwarzschild-Strasse 2 D-85748, Garching bei Munchen (Germany); Galametz, Maud [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom); Hughes, Tom [Kavli Institute for Astronomy and Astrophysics, Peking University, Beijing 100871 (China); Madden, Suzanne [Laboratoire AIM, CEA/DSM-CNRS-Universite Paris Diderot, Irfu/Service d' Astrophysique, F-91191 Gif sur Yvette (France); and others

    2012-12-20

    The standard method for estimating the mass of the interstellar medium (ISM) in a galaxy is to use the 21 cm line to trace the atomic gas and the CO 1-0 line to trace the molecular gas. In this paper, we investigate the alternative technique of using the continuum dust emission to estimate the mass of gas in all phases of the ISM. Using Herschel observations of 10 galaxies from the Herschel Reference Survey and the Herschel Virgo Cluster Survey, we show that the emission detected by Herschel is mostly from dust that has a temperature and emissivity index similar to that of dust in the local ISM in our galaxy, with the temperature generally increasing toward the center of each galaxy. We calibrate the dust method using the CO and 21 cm observations to provide an independent estimate of the mass of hydrogen in each galaxy, solving the problem of the uncertain ''X-factor'' for the CO observations by minimizing the dispersion in the ratio of the masses estimated using the two methods. With the calibration for the dust method and the estimate of the X-factor produced in this way, the dispersion in the ratio of the two gas masses is 25%. The calibration we obtain for the dust method is similar to those obtained from Herschel observations of M31 and from Planck observations of the Milky Way. We discuss the practical problems in using this method.

  4. Detailed molecular characterization of castor oil ethoxylates by liquid chromatography multistage mass spectrometry.

    Science.gov (United States)

    Nasioudis, Andreas; van Velde, Jan W; Heeren, Ron M A; van den Brink, Oscar F

    2011-10-07

    The molecular characterization of castor oil ethoxylates (CASEOs) was studied by reverse-phase liquid chromatography (RPLC) mass spectrometry (MS) and multistage mass spectrometry (MS(n)). The developed RPLC method allowed the separation of the various CASEO components, and especially, the baseline separation of multiple nominal isobars (same nominal mass) and isomers (same exact mass). MS and MS(n) were used for the determination and structure elucidation of various structures and for the discrimination of the isobars and isomers. Different ionization techniques and adduct ions were also tested for optimization of the MS detection and the MS(n) fragmentation. A unique fragmentation pathway of ricinoleic acid is proposed, which can be used as a marker of the polymerization process and the topology of ethoxylation in the CASEO. In addition, characteristic neutral losses of ricinoleic acid reveal its (terminal or internal) position in the molecule. Copyright © 2011 Elsevier B.V. All rights reserved.

  5. A simplified procedure for mass and stiffness estimation of existing structures

    Science.gov (United States)

    Nigro, Antonella; Ditommaso, Rocco; Carlo Ponzo, Felice; Salvatore Nigro, Domenico

    2016-04-01

    This work focuses the attention on a parametric method for mass and stiffness identification of framed structures, based on frequencies evaluation. The assessment of real structures is greatly affected by the consistency of information retrieved on materials and on the influence of both non-structural components and soil. One of the most important matter is the correct definition of the distribution, both in plan and in elevation, of mass and stiffness: depending on concentrated and distributed loads, the presence of infill panels and the distribution of structural elements. In this study modal identification is performed under several mass-modified conditions and structural parameters consistent with the identified modal parameters are determined. Modal parameter identification of a structure before and after the introduction of additional masses is conducted. By considering the relationship between the additional masses and modal properties before and after the mass modification, structural parameters of a damped system, i.e. mass, stiffness and damping coefficient are inversely estimated from these modal parameters variations. The accuracy of the method can be improved by using various mass-modified conditions. The proposed simplified procedure has been tested on both numerical and experimental models by means linear numerical analyses and shaking table tests performed on scaled structures at the Seismic Laboratory of the University of Basilicata (SISLAB). Results confirm the effectiveness of the proposed procedure to estimate masses and stiffness of existing real structures with a maximum error equal to 10%, under the worst conditions. Acknowledgements This study was partially funded by the Italian Civil Protection Department within the project DPC-RELUIS 2015 - RS4 ''Seismic observatory of structures and health monitoring''.

  6. X-ray dual energy spectral parameter optimization for bone Calcium/Phosphorus mass ratio estimation

    International Nuclear Information System (INIS)

    Sotiropoulou, P I; Martini, N D; Koukou, V N; Nikiforidis, G C; Fountos, G P; Michail, C M; Valais, I G; Kandarakis, I S

    2015-01-01

    Calcium (Ca) and Phosphorus (P) bone mass ratio has been identified as an important, yet underutilized, risk factor in osteoporosis diagnosis. The purpose of this simulation study is to investigate the use of effective or mean mass attenuation coefficient in Ca/P mass ratio estimation with the use of a dual-energy method. The investigation was based on the minimization of the accuracy of Ca/P ratio, with respect to the Coefficient of Variation of the ratio. Different set-ups were examined, based on the K-edge filtering technique and single X-ray exposure. The modified X-ray output was attenuated by various Ca/P mass ratios resulting in nine calibration points, while keeping constant the total bone thickness. The simulated data were obtained considering a photon counting energy discriminating detector. The standard deviation of the residuals was used to compare and evaluate the accuracy between the different dual energy set-ups. The optimum mass attenuation coefficient for the Ca/P mass ratio estimation was the effective coefficient in all the examined set-ups. The variation of the residuals between the different set-ups was not significant. (paper)

  7. THE PERILS OF CLUMPFIND: THE MASS SPECTRUM OF SUBSTRUCTURES IN MOLECULAR CLOUDS

    International Nuclear Information System (INIS)

    Pineda, Jaime E.; Goodman, Alyssa A.; Rosolowsky, Erik W.

    2009-01-01

    We study the mass spectrum of substructures in the Perseus Molecular Cloud Complex traced by 13 CO(1-0), finding that dN/dM ∝ M -2.4 for the standard Clumpfind parameters. This result does not agree with the classical dN/dM ∝ M -1.6 . To understand this discrepancy, we study the robustness of the mass spectrum derived using the Clumpfind algorithm. Both two- and three-dimensional Clumpfind versions are tested, using 850 μm dust emission and 13 CO spectral-line observations of Perseus, respectively. The effect of varying threshold is not important, but varying stepsize produces a different effect for two- and three-dimensional cases. In the two-dimensional case, where emission is relatively isolated (associated with only the densest peaks in the cloud), the mass spectrum variability is negligible compared to the mass function fit uncertainties. In the three-dimensional case, however, where the 13 CO emission traces the bulk of the molecular cloud (MC), the number of clumps and the derived mass spectrum are highly correlated with the stepsize used. The distinction between 'two dimension' and 'three dimension' here is more importantly also a distinction between 'sparse' and 'crowded' emission. In any 'crowded' case, Clumpfind should not be used blindly to derive mass functions. Clumpfind's output in the 'crowded' case can still offer a statistical description of emission useful in intercomparisons, but the clump-list should not be treated as a robust region decomposition suitable to generate a physically meaningful mass function. We conclude that the 13 CO mass spectrum depends on the observations resolution, due to the hierarchical structure of the MC.

  8. On Estimating the Mass of Keplerian Accretion Disks in H2O Maser Galaxies

    Science.gov (United States)

    Kuo, C. Y.; Reid, M. J.; Braatz, J. A.; Gao, F.; Impellizzeri, C. M. V.; Chien, W. T.

    2018-06-01

    H2O maser disks with Keplerian rotation in active galactic nuclei offer a clean way to determine accurate black hole mass and the Hubble constant. An important assumption made in using a Keplerian H2O maser disk for measuring black hole mass and the Hubble constant is that the disk mass is negligible compared to the black hole mass. A simple and useful model of Huré et al. can be used to test this assumption. In that work, the authors apply a linear disk model to a position–dynamical mass diagram and re-analyze position–velocity data from H2O maser disks associated with active galactic nuclei. They claim that a maser disk with nearly perfect Keplerian rotation could have a disk mass comparable to the black hole mass. This would imply that ignoring the effects of disk self-gravity can lead to large systematic errors in the measurement of black hole mass and the Hubble constant. We examine their methods and find that their large estimated disk masses of Keplerian disks are likely the result of their use of projected instead of three-dimensional position and velocity information. To place better constraints on the disk masses of Keplerian maser systems, we incorporate disk self-gravity into a three-dimensional Bayesian modeling program for maser disks and also evaluate constraints based on the physical conditions for disks that support water maser emission. We find that there is little evidence that disk masses are dynamically important at the ≲1% level compared to the black holes.

  9. A Photo-Ionization Method for Black Hole Mass Estimation in Quasars

    Directory of Open Access Journals (Sweden)

    Marziani Paola

    2011-09-01

    Full Text Available Determining the masses of the central compact object believed to power all active galactic nuclei is relevant to our understanding of their evolution and of their inner workings. Keys to present-day mass estimates are: (1 the assumption of line broadening due to virial motion of the emitting gas, (2 an estimate of the distance of broad-line emitting gas from the central compact object, and (3 a measure of the AGN luminosity. We discuss the merits and the limitations of an alternative method based on estimates of physical conditions in the broad line emitting region derived from an appropriate multi-component analysis of emission line profiles. This ‘photo-ionization method’, applied to UV intermediate-ionization lines appears to be promising for at least a sizable population of high-z quasars.

  10. Mass discharge estimation from contaminated sites: Multi-model solutions for assessment of conceptual uncertainty

    DEFF Research Database (Denmark)

    Thomsen, Nanna Isbak; Troldborg, Mads; McKnight, Ursula S.

    2012-01-01

    site. The different conceptual models consider different source characterizations and hydrogeological descriptions. The idea is to include a set of essentially different conceptual models where each model is believed to be realistic representation of the given site, based on the current level...... the appropriate management option. The uncertainty of mass discharge estimates depends greatly on the extent of the site characterization. A good approach for uncertainty estimation will be flexible with respect to the investigation level, and account for both parameter and conceptual model uncertainty. We...... propose a method for quantifying the uncertainty of dynamic mass discharge estimates from contaminant point sources on the local scale. The method considers both parameter and conceptual uncertainty through a multi-model approach. The multi-model approach evaluates multiple conceptual models for the same...

  11. Analysis of sulfates on low molecular weight heparin using mass spectrometry: structural characterization of enoxaparin.

    Science.gov (United States)

    Gupta, Rohitesh; Ponnusamy, Moorthy P

    2018-05-21

    Structural characterization of Low Molecular Weight Heparin (LMWH) is critical to meet biosimilarity standards. In this context, the review focuses on structural analysis of labile sulfates attached to the side-groups of LMWH using mass spectrometry. A comprehensive review of this topic will help readers to identify key strategies for tackling the problem related to sulfate loss. At the same time, various mass spectrometry techniques are presented to facilitate compositional analysis of LMWH, mainly Enoxaparin. Areas covered: This review summarizes findings on mass spectrometry application for LMWH, including modulation of sulfates, using enzymology and sample preparation approaches. Furthermore, popular open-source software packages for automated spectral data interpretation are also discussed. Successful use of LC/MS can decipher structural composition for LMWH and help evaluate their sameness or biosimilarity with the innovator molecule. Overall, the literature has been searched using PubMed by typing various search queries such as "enoxaparin", "mass spectrometry", "low molecular weight heparin", "structural characterization", etc. Expert commentary: This section highlights clinically relevant areas that need improvement to achieve satisfactory commercialization of LMWHs. It also primarily emphasizes the advancements in instrumentation related to mass spectrometry, and discusses building automated software for data interpretation and analysis.

  12. Static secondary ion mass spectrometry for organic and inorganic molecular analysis in solids

    International Nuclear Information System (INIS)

    Ham, Rita van; Vaeck, Luc van; Adriaens, Annemie; Adams, Freddy

    2003-01-01

    The use of mass spectra in secondary ion mass spectrometry (S-SIMS) to characterise the molecular composition of inorganic and organic analytes at the surface of solid samples is investigated. Methodological aspects such as mass resolution, mass accuracy, precision and accuracy of isotope abundance measurements, influence of electron flooding and sample morphology are addressed to assess the possibilities and limitations that the methodology can offer to support the structural assignment of the detected ions. The in-sample and between-sample reproducibility of relative peak intensities under optimised conditions is within 10%, but experimental conditions and local hydration, oxidation or contamination can drastically affect the mass spectra. As a result, the use of fingerprinting for identification becomes compromised. Therefore, the preferred way of interpretation becomes the deductive structural approach, based on the use of the empirical desorption-ionisation model. This approach is shown to allow the molecular composition of inorganic and organic components at the surface of solids to be characterised. Examples of inorganic speciation and identification of organic additives with unknown composition in inorganic salt mixtures are given. The methodology is discussed in terms of foreseen developments with respect to the use of polyatomic primary ions

  13. Assessment of Antarctic Ice-Sheet Mass Balance Estimates: 1992 - 2009

    Science.gov (United States)

    Zwally, H. Jay; Giovinetto, Mario B.

    2011-01-01

    Published mass balance estimates for the Antarctic Ice Sheet (AIS) lie between approximately +50 to -250 Gt/year for 1992 to 2009, which span a range equivalent to 15% of the annual mass input and 0.8 mm/year Sea Level Equivalent (SLE). Two estimates from radar-altimeter measurements of elevation change by European Remote-sensing Satellites (ERS) (+28 and -31 Gt/year) lie in the upper part, whereas estimates from the Input-minus-Output Method (IOM) and the Gravity Recovery and Climate Experiment (GRACE) lie in the lower part (-40 to -246 Gt/year). We compare the various estimates, discuss the methodology used, and critically assess the results. Although recent reports of large and accelerating rates of mass loss from GRACE=based studies cite agreement with IOM results, our evaluation does not support that conclusion. We find that the extrapolation used in the published IOM estimates for the 15 % of the periphery for which discharge velocities are not observed gives twice the rate of discharge per unit of associated ice-sheet area than the 85% faster-moving parts. Our calculations show that the published extrapolation overestimates the ice discharge by 282 Gt/yr compared to our assumption that the slower moving areas have 70% as much discharge per area as the faster moving parts. Also, published data on the time-series of discharge velocities and accumulation/precipitation do not support mass output increases or input decreases with time, respectively. Our modified IOM estimate, using the 70% discharge assumption and substituting input from a field-data compilation for input from an atmospheric model over 6% of area, gives a loss of only 13 Gt/year (versus 136 Gt/year) for the period around 2000. Two ERS-based estimates, our modified IOM, and a GRACE-based estimate for observations within 1992 to 2005 lie in a narrowed range of +27 to - 40 Gt/year, which is about 3% of the annual mass input and only 0.2 mm/year SLE. Our preferred estimate for 1992-2001 is - 47 Gt

  14. Pathology interface for the molecular analysis of tissue by mass spectrometry

    Directory of Open Access Journals (Sweden)

    Jeremy L Norris

    2016-01-01

    Full Text Available Background: Imaging mass spectrometry (IMS generates molecular images directly from tissue sections to provide better diagnostic insights and expand the capabilities of clinical anatomic pathology. Although IMS technology has matured over recent years, the link between microscopy imaging currently used by pathologists and MS-based molecular imaging has not been established. Methods: We adapted the Vanderbilt University Tissue Core workflow for IMS into a web-based system that facilitates remote collaboration. The platform was designed to perform within acceptable web response times for viewing, annotating, and processing high resolution microscopy images. Results: We describe a microscopy-driven approach to tissue analysis by IMS. Conclusion: The Pathology Interface for Mass Spectrometry is designed to provide clinical access to IMS technology and deliver enhanced diagnostic value.

  15. Detection of high molecular weight proteins by MALDI imaging mass spectrometry.

    Science.gov (United States)

    Mainini, Veronica; Bovo, Giorgio; Chinello, Clizia; Gianazza, Erica; Grasso, Marco; Cattoretti, Giorgio; Magni, Fulvio

    2013-06-01

    MALDI imaging mass spectrometry (IMS) is a unique technology to explore the spatial distribution of biomolecules directly on tissues. It allows the in situ investigation of a large number of small proteins and peptides. Detection of high molecular weight proteins through MALDI IMS still represents an important challenge, as it would allow the direct investigation of the distribution of more proteins involved in biological processes, such as cytokines, enzymes, neuropeptide precursors and receptors. In this work we compare the traditional method performed with sinapinic acid with a comparable protocol using ferulic acid as the matrix. Data show a remarkable increase of signal acquisition in the mass range of 20k to 150k Th. Moreover, we report molecular images of biomolecules above 70k Th, demonstrating the possibility of expanding the application of this technology both in clinical investigations and basic science.

  16. MALDI mass spectrometry based molecular phenotyping of CNS glial cells for prediction in mammalian brain tissue

    DEFF Research Database (Denmark)

    Hanrieder, Jørg; Wicher, Grzegorz; Bergquist, Jonas

    2011-01-01

    . Complementary proteomic experiments revealed the identity of these signature proteins that were predominantly expressed in the different glial cell types, including histone H4 for oligodendrocytes and S100-A10 for astrocytes. MALDI imaging MS was performed, and signature masses were employed as molecular...... tracers for prediction of oligodendroglial and astroglial localization in brain tissue. The different cell type specific protein distributions in tissue were validated using immunohistochemistry. ICMS of intact neuroglia is a simple and straightforward approach for characterization and discrimination...

  17. Low molecular mass chitosan as carrier for hydrodynamically balanced system for sustained delivery of ciprofloxacin hydrochloride

    OpenAIRE

    VERMA, ANURAG; BANSAL, ASHOK K.; GHOSH, AMITAVA; PANDIT, JAYANTA K.

    2012-01-01

    Chitosan has become a focus of major interest in recent years due to its excellent biocompatibility, biodegradability and non-toxicity. Although this material has already been extensively investigated in the design of different types of drug delivery systems, it is still little explored for stomach specific drug delivery systems. The objective of the present investigation was to explore the potential of low molecular mass chitosan (LMCH) as carrier for a hydrodynamically balanced system (HBS)...

  18. Quasar Black Hole Mass Estimates from High-Ionization Lines: Breaking a Taboo?

    Directory of Open Access Journals (Sweden)

    Paola Marziani

    2017-09-01

    Full Text Available Can high ionization lines such as CIV λ 1549 provide useful virial broadening estimators for computing the mass of the supermassive black holes that power the quasar phenomenon? The question has been dismissed by several workers as a rhetorical one because blue-shifted, non-virial emission associated with gas outflows is often prominent in CIV λ 1549 line profiles. In this contribution, we first summarize the evidence suggesting that the FWHM of low-ionization lines like H β and MgII λ 2800 provide reliable virial broadening estimators over a broad range of luminosity. We confirm that the line widths of CIV λ 1549 is not immediately offering a virial broadening estimator equivalent to the width of low-ionization lines. However, capitalizing on the results of Coatman et al. (2016 and Sulentic et al. (2017, we suggest a correction to FWHM CIV λ 1549 for Eddington ratio and luminosity effects that, however, remains cumbersome to apply in practice. Intermediate ionization lines (IP ∼ 20–30 eV; AlIII λ 1860 and SiIII] λ 1892 may provide a better virial broadening estimator for high redshift quasars, but larger samples are needed to assess their reliability. Ultimately, they may be associated with the broad-line region radius estimated from the photoionization method introduced by Negrete et al. (2013 to obtain black hole mass estimates independent from scaling laws.

  19. Estimates of the magnitudes of major marine mass extinctions in earth history

    Science.gov (United States)

    Stanley, Steven M.

    2016-10-01

    Procedures introduced here make it possible, first, to show that background (piecemeal) extinction is recorded throughout geologic stages and substages (not all extinction has occurred suddenly at the ends of such intervals); second, to separate out background extinction from mass extinction for a major crisis in earth history; and third, to correct for clustering of extinctions when using the rarefaction method to estimate the percentage of species lost in a mass extinction. Also presented here is a method for estimating the magnitude of the Signor-Lipps effect, which is the incorrect assignment of extinctions that occurred during a crisis to an interval preceding the crisis because of the incompleteness of the fossil record. Estimates for the magnitudes of mass extinctions presented here are in most cases lower than those previously published. They indicate that only ˜81% of marine species died out in the great terminal Permian crisis, whereas levels of 90-96% have frequently been quoted in the literature. Calculations of the latter numbers were incorrectly based on combined data for the Middle and Late Permian mass extinctions. About 90 orders and more than 220 families of marine animals survived the terminal Permian crisis, and they embodied an enormous amount of morphological, physiological, and ecological diversity. Life did not nearly disappear at the end of the Permian, as has often been claimed.

  20. Estimates of the magnitudes of major marine mass extinctions in earth history.

    Science.gov (United States)

    Stanley, Steven M

    2016-10-18

    Procedures introduced here make it possible, first, to show that background (piecemeal) extinction is recorded throughout geologic stages and substages (not all extinction has occurred suddenly at the ends of such intervals); second, to separate out background extinction from mass extinction for a major crisis in earth history; and third, to correct for clustering of extinctions when using the rarefaction method to estimate the percentage of species lost in a mass extinction. Also presented here is a method for estimating the magnitude of the Signor-Lipps effect, which is the incorrect assignment of extinctions that occurred during a crisis to an interval preceding the crisis because of the incompleteness of the fossil record. Estimates for the magnitudes of mass extinctions presented here are in most cases lower than those previously published. They indicate that only ∼81% of marine species died out in the great terminal Permian crisis, whereas levels of 90-96% have frequently been quoted in the literature. Calculations of the latter numbers were incorrectly based on combined data for the Middle and Late Permian mass extinctions. About 90 orders and more than 220 families of marine animals survived the terminal Permian crisis, and they embodied an enormous amount of morphological, physiological, and ecological diversity. Life did not nearly disappear at the end of the Permian, as has often been claimed.

  1. The impact of advances in human molecular biology on radiation genetic risk estimation in man

    International Nuclear Information System (INIS)

    Sankaranarayanan, K.

    1996-01-01

    This paper provides an overview of the conceptual framework, the data base, methods and assumptions used thus far to assess the genetic risks of exposure of human populations to ionising radiation. These are then re-examined in the contemporary context of the rapidly expanding knowledge of the molecular biology of human mendelian diseases. This re-examination reveals that (i) many of the assumptions used thus far in radiation genetic risk estimation may not be fully valid and (ii) the current genetic risk estimates are probably conservative, but provide an adequate margin of safety for radiological protection. The view is expressed that further advances in the field of genetic risk estimation will be largely driven by advances in the molecular biology of human genetic diseases. (author). 37 refs., 5 tabs

  2. Can we improve C IV-based single epoch black hole mass estimations?

    Science.gov (United States)

    Mejía-Restrepo, J. E.; Trakhtenbrot, B.; Lira, P.; Netzer, H.

    2018-05-01

    In large optical surveys at high redshifts (z > 2), the C IV broad emission line is the most practical alternative to estimate the mass (MBH) of active super-massive black holes (SMBHs). However, mass determinations obtained with this line are known to be highly uncertain. In this work we use the Sloan Digital Sky Survey Data Release 7 and 12 quasar catalogues to statistically test three alternative methods put forward in the literature to improve C IV-based MBH estimations. These methods are constructed from correlations between the ratio of the C IV line-width to the low ionization line-widths (Hα, Hβ and Mg II) and several other properties of rest-frame UV emission lines. Our analysis suggests that these correction methods are of limited applicability, mostly because all of them depend on correlations that are driven by the linewidth of the C IV profile itself and not by an interconnection between the linewidth of the C IV line with the linewidth of the low ionization lines. Our results show that optical C IV-based mass estimates at high redshift cannot be a proper replacement for estimates based on IR spectroscopy of low ionization lines like Hα, Hβ and Mg II.

  3. Human body mass estimation: a comparison of "morphometric" and "mechanical" methods.

    Science.gov (United States)

    Auerbach, Benjamin M; Ruff, Christopher B

    2004-12-01

    In the past, body mass was reconstructed from hominin skeletal remains using both "mechanical" methods which rely on the support of body mass by weight-bearing skeletal elements, and "morphometric" methods which reconstruct body mass through direct assessment of body size and shape. A previous comparison of two such techniques, using femoral head breadth (mechanical) and stature and bi-iliac breadth (morphometric), indicated a good general correspondence between them (Ruff et al. [1997] Nature 387:173-176). However, the two techniques were never systematically compared across a large group of modern humans of diverse body form. This study incorporates skeletal measures taken from 1,173 Holocene adult individuals, representing diverse geographic origins, body sizes, and body shapes. Femoral head breadth, bi-iliac breadth (after pelvic rearticulation), and long bone lengths were measured on each individual. Statures were estimated from long bone lengths using appropriate reference samples. Body masses were calculated using three available femoral head breadth (FH) formulae and the stature/bi-iliac breadth (STBIB) formula, and compared. All methods yielded similar results. Correlations between FH estimates and STBIB estimates are 0.74-0.81. Slight differences in results between the three FH estimates can be attributed to sampling differences in the original reference samples, and in particular, the body-size ranges included in those samples. There is no evidence for systematic differences in results due to differences in body proportions. Since the STBIB method was validated on other samples, and the FH methods produced similar estimates, this argues that either may be applied to skeletal remains with some confidence. 2004 Wiley-Liss, Inc.

  4. Patient-specific lean body mass can be estimated from limited-coverage computed tomography images.

    Science.gov (United States)

    Devriese, Joke; Beels, Laurence; Maes, Alex; van de Wiele, Christophe; Pottel, Hans

    2018-06-01

    In PET/CT, quantitative evaluation of tumour metabolic activity is possible through standardized uptake values, usually normalized for body weight (BW) or lean body mass (LBM). Patient-specific LBM can be estimated from whole-body (WB) CT images. As most clinical indications only warrant PET/CT examinations covering head to midthigh, the aim of this study was to develop a simple and reliable method to estimate LBM from limited-coverage (LC) CT images and test its validity. Head-to-toe PET/CT examinations were retrospectively retrieved and semiautomatically segmented into tissue types based on thresholding of CT Hounsfield units. LC was obtained by omitting image slices. Image segmentation was validated on the WB CT examinations by comparing CT-estimated BW with actual BW, and LBM estimated from LC images were compared with LBM estimated from WB images. A direct method and an indirect method were developed and validated on an independent data set. Comparing LBM estimated from LC examinations with estimates from WB examinations (LBMWB) showed a significant but limited bias of 1.2 kg (direct method) and nonsignificant bias of 0.05 kg (indirect method). This study demonstrates that LBM can be estimated from LC CT images with no significant difference from LBMWB.

  5. M*/L gradients driven by IMF variation: large impact on dynamical stellar mass estimates

    Science.gov (United States)

    Bernardi, M.; Sheth, R. K.; Dominguez-Sanchez, H.; Fischer, J.-L.; Chae, K.-H.; Huertas-Company, M.; Shankar, F.

    2018-06-01

    Within a galaxy the stellar mass-to-light ratio ϒ* is not constant. Recent studies of spatially resolved kinematics of nearby early-type galaxies suggest that allowing for a variable initial mass function (IMF) returns significantly larger ϒ* gradients than if the IMF is held fixed. We show that ignoring such IMF-driven ϒ* gradients can have dramatic effect on dynamical (M_*^dyn), though stellar population (M_*^SP) based estimates of early-type galaxy stellar masses are also affected. This is because M_*^dyn is usually calibrated using the velocity dispersion measured in the central regions (e.g. Re/8) where stars are expected to dominate the mass (i.e. the dark matter fraction is small). On the other hand, M_*^SP is often computed from larger apertures (e.g. using a mean ϒ* estimated from colours). If ϒ* is greater in the central regions, then ignoring the gradient can overestimate M_*^dyn by as much as a factor of two for the most massive galaxies. Large ϒ*-gradients have four main consequences: First, M_*^dyn cannot be estimated independently of stellar population synthesis models. Secondly, if there is a lower limit to ϒ* and gradients are unknown, then requiring M_*^dyn=M_*^SP constrains them. Thirdly, if gradients are stronger in more massive galaxies, then accounting for this reduces the slope of the correlation between M_*^dyn/M_*^SP of a galaxy with its velocity dispersion. In particular, IMF-driven gradients bring M_*^dyn and M_*^SP into agreement, not by shifting M_*^SP upwards by invoking constant bottom-heavy IMFs, as advocated by a number of recent studies, but by revising M_*^dyn estimates in the literature downwards. Fourthly, accounting for ϒ* gradients changes the high-mass slope of the stellar mass function φ (M_*^dyn), and reduces the associated stellar mass density. These conclusions potentially impact estimates of the need for feedback and adiabatic contraction, so our results highlight the importance of measuring ϒ* gradients in

  6. Mass Estimate for a Lunar Resource Launcher Based on Existing Terrestrial Electromagnetic Launchers

    Directory of Open Access Journals (Sweden)

    Gordon Roesler

    2013-06-01

    Full Text Available Economic exploitation of lunar resources may be more efficient with a non-rocket approach to launch from the lunar surface. The launch system cost will depend on its design, and on the number of launches from Earth to deliver the system to the Moon. Both of these will depend on the launcher system mass. Properties of an electromagnetic resource launcher are derived from two mature terrestrial electromagnetic launchers. A mass model is derived and used to estimate launch costs for a developmental launch vehicle. A rough manufacturing cost for the system is suggested.

  7. Air mass flow estimation in turbocharged diesel engines from in-cylinder pressure measurement

    Energy Technology Data Exchange (ETDEWEB)

    Desantes, J.M.; Galindo, J.; Guardiola, C.; Dolz, V. [CMT - Motores Termicos, Universidad Politecnica de Valencia (Spain)

    2010-01-15

    Air mass flow determination is needed for the control of current internal combustion engines. Current methods are based on specific sensors (as hot wire anemometers) or indirect estimation through manifold pressure. With the availability of cylinder pressure sensors for engine control, methods based on them can be used for replacing or complementing standard methods. Present paper uses in cylinder pressure increase during the intake stroke for inferring the trapped air mass. The method is validated on two different turbocharged diesel engines and compared with the standard methods. (author)

  8. Subset of Kappa and Lambda Germline Sequences Result in Light Chains with a Higher Molecular Mass Phenotype.

    Science.gov (United States)

    Barnidge, David R; Lundström, Susanna L; Zhang, Bo; Dasari, Surendra; Murray, David L; Zubarev, Roman A

    2015-12-04

    In our previous work, we showed that electrospray ionization of intact polyclonal kappa and lambda light chains isolated from normal serum generates two distinct, Gaussian-shaped, molecular mass distributions representing the light-chain repertoire. During the analysis of a large (>100) patient sample set, we noticed a low-intensity molecular mass distribution with a mean of approximately 24 250 Da, roughly 800 Da higher than the mean of the typical kappa molecular-mass distribution mean of 23 450 Da. We also observed distinct clones in this region that did not appear to contain any typical post-translational modifications that would account for such a large mass shift. To determine the origin of the high molecular mass clones, we performed de novo bottom-up mass spectrometry on a purified IgM monoclonal light chain that had a calculated molecular mass of 24 275.03 Da. The entire sequence of the monoclonal light chain was determined using multienzyme digestion and de novo sequence-alignment software and was found to belong to the germline allele IGKV2-30. The alignment of kappa germline sequences revealed ten IGKV2 and one IGKV4 sequences that contained additional amino acids in their CDR1 region, creating the high-molecular-mass phenotype. We also performed an alignment of lambda germline sequences, which showed additional amino acids in the CDR2 region, and the FR3 region of functional germline sequences that result in a high-molecular-mass phenotype. The work presented here illustrates the ability of mass spectrometry to provide information on the diversity of light-chain molecular mass phenotypes in circulation, which reflects the germline sequences selected by the immunoglobulin-secreting B-cell population.

  9. Direct molecular analysis of whole-body animal tissue sections by MALDI imaging mass spectrometry.

    Science.gov (United States)

    Reyzer, Michelle L; Chaurand, Pierre; Angel, Peggi M; Caprioli, Richard M

    2010-01-01

    The determination of the localization of various compounds in a whole animal is valuable for many applications, including pharmaceutical absorption, distribution, metabolism, and excretion (ADME) studies and biomarker discovery. Imaging mass spectrometry is a powerful tool for localizing compounds of biological interest with molecular specificity and relatively high resolution. Utilizing imaging mass spectrometry for whole-body animal sections offers considerable analytical advantages compared to traditional methods, such as whole-body autoradiography, but the experiment is not straightforward. This chapter addresses the advantages and unique challenges that the application of imaging mass spectrometry to whole-body animal sections entails, including discussions of sample preparation, matrix application, signal normalization, and image generation. Lipid and protein images obtained from whole-body tissue sections of mouse pups are presented along with detailed protocols for the experiments.

  10. Definition of the mitochondrial proteome by measurement of molecular masses of membrane proteins

    Science.gov (United States)

    Carroll, Joe; Fearnley, Ian M.; Walker, John E.

    2006-01-01

    The covalent structure of a protein is incompletely defined by its gene sequence, and mass spectrometric analysis of the intact protein is needed to detect the presence of any posttranslational modifications. Because most membrane proteins are purified in detergents that are incompatible with mass spectrometric ionization techniques, this essential measurement has not been made on many hydrophobic proteins, and so proteomic data are incomplete. We have extracted membrane proteins from bovine mitochondria and detergent-purified NADH:ubiquinone oxidoreductase (complex I) with organic solvents, fractionated the mixtures by hydrophilic interaction chromatography, and measured the molecular masses of the intact membrane proteins, including those of six subunits of complex I that are encoded in mitochondrial DNA. These measurements resolve long-standing uncertainties about the interpretation of the mitochondrial genome, and they contribute significantly to the definition of the covalent composition of complex I. PMID:17060615

  11. Different top-down approaches to estimate measurement uncertainty of whole blood tacrolimus mass concentration values.

    Science.gov (United States)

    Rigo-Bonnin, Raül; Blanco-Font, Aurora; Canalias, Francesca

    2018-05-08

    Values of mass concentration of tacrolimus in whole blood are commonly used by the clinicians for monitoring the status of a transplant patient and for checking whether the administered dose of tacrolimus is effective. So, clinical laboratories must provide results as accurately as possible. Measurement uncertainty can allow ensuring reliability of these results. The aim of this study was to estimate measurement uncertainty of whole blood mass concentration tacrolimus values obtained by UHPLC-MS/MS using two top-down approaches: the single laboratory validation approach and the proficiency testing approach. For the single laboratory validation approach, we estimated the uncertainties associated to the intermediate imprecision (using long-term internal quality control data) and the bias (utilizing a certified reference material). Next, we combined them together with the uncertainties related to the calibrators-assigned values to obtain a combined uncertainty for, finally, to calculate the expanded uncertainty. For the proficiency testing approach, the uncertainty was estimated in a similar way that the single laboratory validation approach but considering data from internal and external quality control schemes to estimate the uncertainty related to the bias. The estimated expanded uncertainty for single laboratory validation, proficiency testing using internal and external quality control schemes were 11.8%, 13.2%, and 13.0%, respectively. After performing the two top-down approaches, we observed that their uncertainty results were quite similar. This fact would confirm that either two approaches could be used to estimate the measurement uncertainty of whole blood mass concentration tacrolimus values in clinical laboratories. Copyright © 2018 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

  12. Novel Equations for Estimating Lean Body Mass in Peritoneal Dialysis Patients.

    Science.gov (United States)

    Dong, Jie; Li, Yan-Jun; Xu, Rong; Yang, Zhi-Kai; Zheng, Ying-Dong

    2015-12-01

    ♦ To develop and validate equations for estimating lean body mass (LBM) in peritoneal dialysis (PD) patients. ♦ Two equations for estimating LBM, one based on mid-arm muscle circumference (MAMC) and hand grip strength (HGS), i.e., LBM-M-H, and the other based on HGS, i.e., LBM-H, were developed and validated with LBM obtained by dual-energy X-ray absorptiometry (DEXA). The developed equations were compared to LBM estimated from creatinine kinetics (LBM-CK) and anthropometry (LBM-A) in terms of bias, precision, and accuracy. The prognostic values of LBM estimated from the equations in all-cause mortality risk were assessed. ♦ The developed equations incorporated gender, height, weight, and dialysis duration. Compared to LBM-DEXA, the bias of the developed equations was lower than that of LBM-CK and LBM-A. Additionally, LBM-M-H and LBM-H had better accuracy and precision. The prognostic values of LBM in all-cause mortality risk based on LBM-M-H, LBM-H, LBM-CK, and LBM-A were similar. ♦ Lean body mass estimated by the new equations based on MAMC and HGS was correlated with LBM obtained by DEXA and may serve as practical surrogate markers of LBM in PD patients. Copyright © 2015 International Society for Peritoneal Dialysis.

  13. In-cylinder pressure resonance analysis for trapped mass estimation in automotive engines

    OpenAIRE

    Bares Moreno, Pau

    2017-01-01

    This thesis presents a new application for in-cylinder pressure sensors in internal combustion engines. The new method takes profit of the high-frequency content of the in-cylinder pressure signal to determine the speed of sound evolution during the expansion stroke and combines this estimation with the low-frequency content of the pressure signal and a volume estimation to obtain a measurement of the trapped mass. The new method is based on the studies of the resonance phenomenon in pent...

  14. Correlation between the estimated molecular weight and the immunological properties of 125I-TSH

    International Nuclear Information System (INIS)

    Quiroga, S.E.; Ciscato, V.A.; Barmasch, M.; Kurcbart, H.; Veira de Giacomini, S.; Altschuler, N.; Caro, R.A.

    1976-09-01

    Thyrotropic Stimulating Hormone (TSH) was radioiodinated by the Chloramine T method in order to be used in radioimmu-noassay procedures. It was purified by gel filtration and each fraction of the eluate was analyzed in order to determine which one had the most suitable behaviour for that use. The molecular weight of each fraction was estimated, as well as its immunological reactivity and its non-specific binding. The 125 I-TSH fraction with better properties was the closest to the molecular weight of the native hormone, which is found at the posterior shoulder of the main proteic peak of the elution pattern. (author) [es

  15. An approximate method to estimate the minimum critical mass of fissile nuclides

    International Nuclear Information System (INIS)

    Wright, R.Q.; Jordan, W.C.

    1999-01-01

    When evaluating systems in criticality safety, it is important to approximate the answer before any analysis is performed. There is currently interest in establishing the minimum critical parameters for fissile actinides. The purpose is to describe the OB-1 method for estimating the minimum critical mass for thermal systems based on one-group calculations and 235 U spheres fully reflected by water. The observation is made that for water-moderated, well-thermalized systems, the transport and leakage from the system are dominated by water. Under these conditions two fissile mixtures will have nearly the same critical volume provided the infinite media multiplication factor (k ∞ ) for the two systems is the same. This observation allows for very simple estimates of critical concentration and mass as a function of the hydrogen-to-fissile (H/X) moderation ratio by comparison to the known 235 U system

  16. THE LICK AGN MONITORING PROJECT: RECALIBRATING SINGLE-EPOCH VIRIAL BLACK HOLE MASS ESTIMATES

    Energy Technology Data Exchange (ETDEWEB)

    Park, Daeseong; Woo, Jong-Hak [Astronomy Program, Department of Physics and Astronomy, Seoul National University, Seoul 151-742 (Korea, Republic of); Treu, Tommaso; Bennert, Vardha N. [Department of Physics, University of California, Santa Barbara, CA 93106 (United States); Barth, Aaron J.; Walsh, Jonelle [Department of Physics and Astronomy, 4129 Frederick Reines Hall, University of California, Irvine, CA 92697-4575 (United States); Bentz, Misty C. [Department of Physics and Astronomy, Georgia State University Atlanta, GA 30303 (United States); Canalizo, Gabriela [Department of Physics and Astronomy, University of California, Riverside, 900 University Ave., Riverside, CA 92521 (United States); Filippenko, Alexei V. [Department of Astronomy, University of California, Berkeley, CA 94720-3411 (United States); Gates, Elinor [Lick Observatory, P.O. Box 85, Mount Hamilton, CA 95140 (United States); Greene, Jenny E. [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Malkan, Matthew A., E-mail: woo@astro.snu.ac.kr [Department of Physics and Astronomy, University of California, Los Angeles, CA 90024 (United States)

    2012-03-01

    We investigate the calibration and uncertainties of black hole (BH) mass estimates based on the single-epoch (SE) method, using homogeneous and high-quality multi-epoch spectra obtained by the Lick Active Galactic Nucleus (AGN) Monitoring Project for nine local Seyfert 1 galaxies with BH masses <10{sup 8} M{sub Sun }. By decomposing the spectra into their AGNs and stellar components, we study the variability of the SE H{beta} line width (full width at half-maximum intensity, FWHM{sub H{beta}} or dispersion, {sigma}{sub H{beta}}) and of the AGN continuum luminosity at 5100 A (L{sub 5100}). From the distribution of the 'virial products' ({proportional_to} FWHM{sub H{beta}}{sup 2} L{sup 0.5}{sub 5100} or {sigma}{sub H{beta}}{sup 2} L{sup 0.5}{sub 5100}) measured from SE spectra, we estimate the uncertainty due to the combined variability as {approx}0.05 dex (12%). This is subdominant with respect to the total uncertainty in SE mass estimates, which is dominated by uncertainties in the size-luminosity relation and virial coefficient, and is estimated to be {approx}0.46 dex (factor of {approx}3). By comparing the H{beta} line profile of the SE, mean, and root-mean-square (rms) spectra, we find that the H{beta} line is broader in the mean (and SE) spectra than in the rms spectra by {approx}0.1 dex (25%) for our sample with FWHM{sub H{beta}} <3000 km s{sup -1}. This result is at variance with larger mass BHs where the difference is typically found to be much less than 0.1 dex. To correct for this systematic difference of the H{beta} line profile, we introduce a line-width dependent virial factor, resulting in a recalibration of SE BH mass estimators for low-mass AGNs.

  17. Remote Sensing Estimates of Glacier Mass Balance Changes in the Himalayas of Nepal

    Science.gov (United States)

    Ambinakudige, S.; Joshi, K.

    2011-12-01

    Mass balance changes of glaciers are important indicators of climate change. There are only 30 'reference' glaciers in the world that have continuous mass balance data with world glacier monitoring service since 1976. Especially, Himalayan glaciers are conspicuously absent from global mass balance records. This shows the urgent need for mass balance data for glaciers throughout the world. In this study, we estimated mass balance of some major glaciers in the Sagarmatha National Park (SNP) in Nepal using remote sensing applications. The SNP is one of the densest glaciated regions in the Himalayan range consisting approximately 296 glacial lakes. The region has experienced several glacial lake outburst floods (GLOFs) in recent years, causing extensive damage to local infrastructure and loss of human life. In general, mass balance is determined at seasonal or yearly intervals. Because of the rugged and difficult terrain of the Himalayan region, there are only a few field based measurements of mass balance available. Moreover, there are only few cases where the applications of remote sensing methods were used to calculate mass balance of the Himalayan glaciers due to the lack of accurate elevation data. Studies have shown that estimations of mass balance using remote sensing applications were within the range of field-based mass balance measurements from the same period. This study used ASTER VNIR, 3N (nadir view) and 3B (backward view) bands to generate Digital Elevation Models (DEMs) for the SNP area. 3N and 3B bands generate an along track stereo pair with a base-to-height (B/H) ratio of about 0.6. Accurate measurement of ground control points (GCPs), their numbers and distribution are important inputs in creating accurate DEMs. Because of the availability of topographic maps for this area, we were able to provide very accurate GCPs, in sufficient numbers and distribution. We created DEMs for the years 2002, 2003, 2004 and 2005 using ENVI DEM extraction tool. Bands

  18. The influence of maternal body mass index on fetal weight estimation in twin pregnancy.

    LENUS (Irish Health Repository)

    Ryan, Helen M

    2013-11-08

    Sonographic estimation of fetal weight (EFW) is important in the management of high-risk pregnancies. The possibility that increased maternal body mass index (BMI) adversely affects EFW assessments in twin pregnancies is controversial. The aim of this study was to investigate the effect of maternal BMI on the accuracy of EFW assessments in twin gestations prospectively recruited for the ESPRiT (Evaluation of Sonographic Predictors of Restricted growth in Twins) study.

  19. High-molecular-mass hyaluronan mediates the cancer resistance of the naked mole rat.

    Science.gov (United States)

    Tian, Xiao; Azpurua, Jorge; Hine, Christopher; Vaidya, Amita; Myakishev-Rempel, Max; Ablaeva, Julia; Mao, Zhiyong; Nevo, Eviatar; Gorbunova, Vera; Seluanov, Andrei

    2013-07-18

    The naked mole rat (Heterocephalus glaber) displays exceptional longevity, with a maximum lifespan exceeding 30 years. This is the longest reported lifespan for a rodent species and is especially striking considering the small body mass of the naked mole rat. In comparison, a similarly sized house mouse has a maximum lifespan of 4 years. In addition to their longevity, naked mole rats show an unusual resistance to cancer. Multi-year observations of large naked mole-rat colonies did not detect a single incidence of cancer. Here we identify a mechanism responsible for the naked mole rat's cancer resistance. We found that naked mole-rat fibroblasts secrete extremely high-molecular-mass hyaluronan (HA), which is over five times larger than human or mouse HA. This high-molecular-mass HA accumulates abundantly in naked mole-rat tissues owing to the decreased activity of HA-degrading enzymes and a unique sequence of hyaluronan synthase 2 (HAS2). Furthermore, the naked mole-rat cells are more sensitive to HA signalling, as they have a higher affinity to HA compared with mouse or human cells. Perturbation of the signalling pathways sufficient for malignant transformation of mouse fibroblasts fails to transform naked mole-rat cells. However, once high-molecular-mass HA is removed by either knocking down HAS2 or overexpressing the HA-degrading enzyme, HYAL2, naked mole-rat cells become susceptible to malignant transformation and readily form tumours in mice. We speculate that naked mole rats have evolved a higher concentration of HA in the skin to provide skin elasticity needed for life in underground tunnels. This trait may have then been co-opted to provide cancer resistance and longevity to this species.

  20. Novel Equations for Estimating Lean Body Mass in Patients With Chronic Kidney Disease.

    Science.gov (United States)

    Tian, Xue; Chen, Yuan; Yang, Zhi-Kai; Qu, Zhen; Dong, Jie

    2018-05-01

    Simplified methods to estimate lean body mass (LBM), an important nutritional measure representing muscle mass and somatic protein, are lacking in nondialyzed patients with chronic kidney disease (CKD). We developed and tested 2 reliable equations for estimation of LBM in daily clinical practice. The development and validation groups both included 150 nondialyzed patients with CKD Stages 3 to 5. Two equations for estimating LBM based on mid-arm muscle circumference (MAMC) or handgrip strength (HGS) were developed and validated in CKD patients with dual-energy x-ray absorptiometry as referenced gold method. We developed and validated 2 equations for estimating LBM based on HGS and MAMC. These equations, which also incorporated sex, height, and weight, were developed and validated in CKD patients. The new equations were found to exhibit only small biases when compared with dual-energy x-ray absorptiometry, with median differences of 0.94 and 0.46 kg observed in the HGS and MAMC equations, respectively. Good precision and accuracy were achieved for both equations, as reflected by small interquartile ranges in the differences and in the percentages of estimates that were 20% of measured LBM. The bias, precision, and accuracy of each equation were found to be similar when it was applied to groups of patients divided by the median measured LBM, the median ratio of extracellular to total body water, and the stages of CKD. LBM estimated from MAMC or HGS were found to provide accurate estimates of LBM in nondialyzed patients with CKD. Copyright © 2017 National Kidney Foundation, Inc. Published by Elsevier Inc. All rights reserved.

  1. A Copula-Based Method for Estimating Shear Strength Parameters of Rock Mass

    Directory of Open Access Journals (Sweden)

    Da Huang

    2014-01-01

    Full Text Available The shear strength parameters (i.e., the internal friction coefficient f and cohesion c are very important in rock engineering, especially for the stability analysis and reinforcement design of slopes and underground caverns. In this paper, a probabilistic method, Copula-based method, is proposed for estimating the shear strength parameters of rock mass. The optimal Copula functions between rock mass quality Q and f, Q and c for the marbles are established based on the correlation analyses of the results of 12 sets of in situ tests in the exploration adits of Jinping I-Stage Hydropower Station. Although the Copula functions are derived from the in situ tests for the marbles, they can be extended to be applied to other types of rock mass with similar geological and mechanical properties. For another 9 sets of in situ tests as an extensional application, by comparison with the results from Hoek-Brown criterion, the estimated values of f and c from the Copula-based method achieve better accuracy. Therefore, the proposed Copula-based method is an effective tool in estimating rock strength parameters.

  2. A new method to estimate global mass transport and its implication for sea level rise

    Science.gov (United States)

    Yi, S.; Heki, K.

    2017-12-01

    Estimates of changes in global land mass by using GRACE observations can be achieved by two methods, a mascon method and a forward modeling method. However, results from these two methods show inconsistent secular trend. Sea level budget can be adopted to validate the consistency among observations of sea level rise by altimetry, steric change by the Argo project, and mass change by GRACE. Mascon products from JPL, GSFC and CSR are compared here, we find that all these three products cannot achieve a reconciled sea level budget, while this problem can be solved by a new forward modeling method. We further investigate the origin of this difference, and speculate that it is caused by the signal leakage from the ocean mass. Generally, it is well recognized that land signals leak into oceans, but it also happens the other way around. We stress the importance of correction of leakage from the ocean in the estimation of global land masses. Based on a reconciled sea level budget, we confirmed that global sea level rise has been accelerating significantly over 2005-2015, as a result of the ongoing global temperature increase.

  3. A near-infrared relationship for estimating black hole masses in active galactic nuclei

    Science.gov (United States)

    Landt, Hermine; Ward, Martin J.; Peterson, Bradley M.; Bentz, Misty C.; Elvis, Martin; Korista, Kirk T.; Karovska, Margarita

    2013-06-01

    Black hole masses for samples of active galactic nuclei (AGN) are currently estimated from single-epoch optical spectra using scaling relations anchored in reverberation mapping results. In particular, the two quantities needed for calculating black hole masses, namely the velocity and the radial distance of the orbiting gas are derived from the widths of the Balmer hydrogen broad emission lines and the optical continuum luminosity, respectively. We have recently presented a near-infrared (near-IR) relationship for estimating AGN black hole masses based on the widths of the Paschen hydrogen broad emission lines and the total 1 μm continuum luminosity. The near-IR offers several advantages over the optical: it suffers less from dust extinction, the AGN continuum is observed only weakly contaminated by the host galaxy and the strongest Paschen broad emission lines Paα and Paβ are unblended. Here, we improve the calibration of the near-IR black hole mass relationship by increasing the sample from 14 to 23 reverberation-mapped AGN using additional spectroscopy obtained with the Gemini Near-Infrared Spectrograph. The additional sample improves the number statistics in particular at the high-luminosity end.

  4. Stellar mass estimation based on IRAC photometry for Spitzer SWIRE-field galaxies

    International Nuclear Information System (INIS)

    Zhu Yinan; Wu Hong; Li Haining; Cao Chen

    2010-01-01

    We analyze the feasibility of estimating the stellar mass of galaxies by mid-infrared luminosities based on a large sample of galaxies cross-identified from Spitzer SWIRE fields and the SDSS spectrographic survey. We derived the formulae to calculate the stellar mass by using IRAC 3.6 μm and 4.5 μm luminosities. The mass-to-luminosity ratios of IRAC 3.6 μm and 4.5 μm luminosities are more sensitive to the star formation history of galaxies than to other factors, such as the intrinsic extinction, metallicity and star formation rate. To remove the effect of star formation history, we used g - r color to recalibrate the formulae and obtain a better result. Researchers must be more careful when estimating the stellar mass of low metallicity galaxies using our formulae. Due to the emission from dust heated by the hottest young stars, luminous infrared galaxies present higher IRAC 4.5 μm luminosities compared to IRAC 3.6 μm luminosities. For most of type-II AGNs, the nuclear activity cannot enhance 3.6 μm and 4.5 μm luminosities compared with normal galaxies. Star formation in our AGN-hosting galaxies is also very weak, almost all of which are early-type galaxies.

  5. Sequential estimation of surface water mass changes from daily satellite gravimetry data

    Science.gov (United States)

    Ramillien, G. L.; Frappart, F.; Gratton, S.; Vasseur, X.

    2015-03-01

    We propose a recursive Kalman filtering approach to map regional spatio-temporal variations of terrestrial water mass over large continental areas, such as South America. Instead of correcting hydrology model outputs by the GRACE observations using a Kalman filter estimation strategy, regional 2-by-2 degree water mass solutions are constructed by integration of daily potential differences deduced from GRACE K-band range rate (KBRR) measurements. Recovery of regional water mass anomaly averages obtained by accumulation of information of daily noise-free simulated GRACE data shows that convergence is relatively fast and yields accurate solutions. In the case of cumulating real GRACE KBRR data contaminated by observational noise, the sequential method of step-by-step integration provides estimates of water mass variation for the period 2004-2011 by considering a set of suitable a priori error uncertainty parameters to stabilize the inversion. Spatial and temporal averages of the Kalman filter solutions over river basin surfaces are consistent with the ones computed using global monthly/10-day GRACE solutions from official providers CSR, GFZ and JPL. They are also highly correlated to in situ records of river discharges (70-95 %), especially for the Obidos station where the total outflow of the Amazon River is measured. The sparse daily coverage of the GRACE satellite tracks limits the time resolution of the regional Kalman filter solutions, and thus the detection of short-term hydrological events.

  6. Estimating the Number of Eggs in Blow Fly (Diptera: Calliphoridae) Egg Masses Using Photographic Analysis.

    Science.gov (United States)

    Rosati, J Y; Pacheco, V A; Vankosky, M A; Vanlaerhoven, S L

    2015-07-01

    Little work has been done to quantify the number of eggs oviposited by blow flies (Diptera: Calliphoridae) in studies examining colonization behavior. Egg counting methods currently available are time-consuming and destructive. This study used ImageJ software and analysis of covariance to relate the volume of egg masses to the number of eggs laid by three different blow fly species: Lucilia sericata (Meigen), Phormia regina (Meigen), and Chrysomya rufifacies (Macquart). Egg mass volume, species, and the interaction of species and egg mass volume all affected the number of blow fly eggs deposited in egg masses. Both species identity and egg mass volume are important when predicting egg number, as such a single regression equation cannot be used to estimate egg number for these three species. Therefore, simple linear regression equations were determined for each species. The volume of individual eggs was incorporated into the model, yet differences between species were observed, suggesting that the orientation of the eggs oviposited by multiple conspecific females within egg masses influences egg estimates. Based on our results, we expect that imaging software can be used for other blow fly species, as well as other insect species; however, equations specific to each species must be developed. This study describes an important tool for quantifying egg deposition in a nondestructive manner, which is important in studying the colonization behavior and life history of insects of ecological and forensic importance. © The Authors 2015. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  7. Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

    Directory of Open Access Journals (Sweden)

    Fiehn Oliver

    2007-03-01

    Full Text Available Abstract Background Structure elucidation of unknown small molecules by mass spectrometry is a challenge despite advances in instrumentation. The first crucial step is to obtain correct elemental compositions. In order to automatically constrain the thousands of possible candidate structures, rules need to be developed to select the most likely and chemically correct molecular formulas. Results An algorithm for filtering molecular formulas is derived from seven heuristic rules: (1 restrictions for the number of elements, (2 LEWIS and SENIOR chemical rules, (3 isotopic patterns, (4 hydrogen/carbon ratios, (5 element ratio of nitrogen, oxygen, phosphor, and sulphur versus carbon, (6 element ratio probabilities and (7 presence of trimethylsilylated compounds. Formulas are ranked according to their isotopic patterns and subsequently constrained by presence in public chemical databases. The seven rules were developed on 68,237 existing molecular formulas and were validated in four experiments. First, 432,968 formulas covering five million PubChem database entries were checked for consistency. Only 0.6% of these compounds did not pass all rules. Next, the rules were shown to effectively reducing the complement all eight billion theoretically possible C, H, N, S, O, P-formulas up to 2000 Da to only 623 million most probable elemental compositions. Thirdly 6,000 pharmaceutical, toxic and natural compounds were selected from DrugBank, TSCA and DNP databases. The correct formulas were retrieved as top hit at 80–99% probability when assuming data acquisition with complete resolution of unique compounds and 5% absolute isotope ratio deviation and 3 ppm mass accuracy. Last, some exemplary compounds were analyzed by Fourier transform ion cyclotron resonance mass spectrometry and by gas chromatography-time of flight mass spectrometry. In each case, the correct formula was ranked as top hit when combining the seven rules with database queries. Conclusion The

  8. Estimates of Ice Sheet Mass Balance from Satellite Altimetry: Past and Future

    Science.gov (United States)

    Zwally, H. Jay; Zukor, Dorothy J. (Technical Monitor)

    2001-01-01

    A major uncertainty in predicting sea level rise is the sensitivity of ice sheet mass balance to climate change, as well as the uncertainty in present mass balance. Since the annual water exchange is about 8 mm of global sea level equivalent, the 20% uncertainty in current mass balance corresponds to 1.6 mm/yr in sea level change. Furthermore, estimates of the sensitivity of the mass balance to temperature change range from perhaps as much as - 10% to + 10% per K. A principal purpose of obtaining ice sheet elevation changes from satellite altimetry has been estimation of the current ice sheet mass balance. Limited information on ice sheet elevation change and their implications about mass balance have been reported by several investigators from radar altimetry (Seasat, Geosat, ERS-1&2). Analysis of ERS-1&2 data over Greenland for 7 years from 1992 to 1999 shows mixed patterns of ice elevation increases and decreases that are significant in terms of regional-scale mass balances. Observed seasonal and interannual variations in ice surface elevation are larger than previously expected because of seasonal and interannUal variations in precipitation, melting, and firn compaction. In the accumulation zone, the variations in firn compaction are modeled as a function of temperature leaving variations in precipitation and the mass balance trend. Significant interannual variations in elevation in some locations, in particular the difference in trends from 1992 to 1995 compared to 1995 to 1999, can be explained by changes in precipitation over Greenland. Over the 7 years, trends in elevation are mostly positive at higher elevations and negative at lower elevations. In addition, trends for the winter seasons (from a trend analysis through the average winter elevations) are more positive than the corresponding trends for the summer. At lower elevations, the 7-year trends in some locations are strongly negative for summer and near zero or slightly positive for winter. These

  9. BL Lacertae: X-ray spectral evolution and a black-hole mass estimate

    Science.gov (United States)

    Titarchuk, Lev; Seifina, Elena

    2017-06-01

    We present an analysis of the spectral properties observed in X-rays from active galactic nucleus BL Lacertae using RXTE, Suzaku, ASCA, BeppoSAX, and Swift observations. The total time covered by these observations is approximately 20 yr. We show strong observational evidence that this source undergoes X-ray spectral transitions from the low hard state (LHS) through the intermediate state (IS) to the high soft state (HSS) during these observations. During the RXTE observations (1997-2001, 180 ks, for a total 145 datasets), the source was approximately 75%, 20% and only 5% of the time in the IS, LHS, and HSS, respectively. We also used Swift observations (470 datasets, for a total 800 ks), which occurred during 12 yr (2005-2016), the broadband (0.3-200 keV) data of BeppoSAX (1997-2000, 160 ks), and the low X-ray energy (0.3-10 keV) data of ASCA (1995-1999, 160 ks). Two observations of Suzaku (2006, 2013; 50 ks) in combinations with long-term RXTE and Swift data-sets fortunately allow us to describe all spectral states of BL Lac. The spectra of BL Lac are well fitted by the so-called bulk motion Comptonization (BMC) model for all spectral states. We have established the photon index saturation level, Γsat = 2.2 ± 0.1, in the Γ versus mass accretion rate (Ṁ) correlation. This Γ - Ṁ correlation allows us to estimate the black-hole (BH) mass in BL Lac to be MBH 3 × 107M⊙ for a distance of 300 Mpc. For the BH mass estimate, we use the scaling method taking stellar-mass Galactic BHs 4U 1543-47 and GX 339-4 as reference sources. The Γ - Ṁ correlation revealed in BL Lac is similar to those in a number of stellar-mass Galactic BHs and two recently studied intermediate-mass extragalactic BHs. It clearly shows the correlation along with the very extended Γ saturation at 2.2. This is robust observational evidence for the presence of a BH in BL Lac. We also reveal that the seed (disk) photon temperatures are relatively low, of order of 100 eV, which are consistent

  10. Estimation of surface area concentration of workplace incidental nanoparticles based on number and mass concentrations

    Science.gov (United States)

    Park, J. Y.; Ramachandran, G.; Raynor, P. C.; Kim, S. W.

    2011-10-01

    Surface area was estimated by three different methods using number and/or mass concentrations obtained from either two or three instruments that are commonly used in the field. The estimated surface area concentrations were compared with reference surface area concentrations (SAREF) calculated from the particle size distributions obtained from a scanning mobility particle sizer and an optical particle counter (OPC). The first estimation method (SAPSD) used particle size distribution measured by a condensation particle counter (CPC) and an OPC. The second method (SAINV1) used an inversion routine based on PM1.0, PM2.5, and number concentrations to reconstruct assumed lognormal size distributions by minimizing the difference between measurements and calculated values. The third method (SAINV2) utilized a simpler inversion method that used PM1.0 and number concentrations to construct a lognormal size distribution with an assumed value of geometric standard deviation. All estimated surface area concentrations were calculated from the reconstructed size distributions. These methods were evaluated using particle measurements obtained in a restaurant, an aluminum die-casting factory, and a diesel engine laboratory. SAPSD was 0.7-1.8 times higher and SAINV1 and SAINV2 were 2.2-8 times higher than SAREF in the restaurant and diesel engine laboratory. In the die casting facility, all estimated surface area concentrations were lower than SAREF. However, the estimated surface area concentration using all three methods had qualitatively similar exposure trends and rankings to those using SAREF within a workplace. This study suggests that surface area concentration estimation based on particle size distribution (SAPSD) is a more accurate and convenient method to estimate surface area concentrations than estimation methods using inversion routines and may be feasible to use for classifying exposure groups and identifying exposure trends.

  11. Estimation of surface area concentration of workplace incidental nanoparticles based on number and mass concentrations

    International Nuclear Information System (INIS)

    Park, J. Y.; Ramachandran, G.; Raynor, P. C.; Kim, S. W.

    2011-01-01

    Surface area was estimated by three different methods using number and/or mass concentrations obtained from either two or three instruments that are commonly used in the field. The estimated surface area concentrations were compared with reference surface area concentrations (SA REF ) calculated from the particle size distributions obtained from a scanning mobility particle sizer and an optical particle counter (OPC). The first estimation method (SA PSD ) used particle size distribution measured by a condensation particle counter (CPC) and an OPC. The second method (SA INV1 ) used an inversion routine based on PM1.0, PM2.5, and number concentrations to reconstruct assumed lognormal size distributions by minimizing the difference between measurements and calculated values. The third method (SA INV2 ) utilized a simpler inversion method that used PM1.0 and number concentrations to construct a lognormal size distribution with an assumed value of geometric standard deviation. All estimated surface area concentrations were calculated from the reconstructed size distributions. These methods were evaluated using particle measurements obtained in a restaurant, an aluminum die-casting factory, and a diesel engine laboratory. SA PSD was 0.7–1.8 times higher and SA INV1 and SA INV2 were 2.2–8 times higher than SA REF in the restaurant and diesel engine laboratory. In the die casting facility, all estimated surface area concentrations were lower than SA REF . However, the estimated surface area concentration using all three methods had qualitatively similar exposure trends and rankings to those using SA REF within a workplace. This study suggests that surface area concentration estimation based on particle size distribution (SA PSD ) is a more accurate and convenient method to estimate surface area concentrations than estimation methods using inversion routines and may be feasible to use for classifying exposure groups and identifying exposure trends.

  12. A Robust Mass Estimator for Dark Matter Subhalo Perturbations in Strong Gravitational Lenses

    Energy Technology Data Exchange (ETDEWEB)

    Minor, Quinn E. [Department of Science, Borough of Manhattan Community College, City University of New York, New York, NY 10007 (United States); Kaplinghat, Manoj [Department of Physics and Astronomy, University of California, Irvine CA 92697 (United States); Li, Nan [Department of Astronomy and Astrophysics, The University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637 (United States)

    2017-08-20

    A few dark matter substructures have recently been detected in strong gravitational lenses through their perturbations of highly magnified images. We derive a characteristic scale for lensing perturbations and show that they are significantly larger than the perturber’s Einstein radius. We show that the perturber’s projected mass enclosed within this radius, scaled by the log-slope of the host galaxy’s density profile, can be robustly inferred even if the inferred density profile and tidal radius of the perturber are biased. We demonstrate the validity of our analytic derivation using several gravitational lens simulations where the tidal radii and the inner log-slopes of the density profile of the perturbing subhalo are allowed to vary. By modeling these simulated data, we find that our mass estimator, which we call the effective subhalo lensing mass, is accurate to within about 10% or smaller in each case, whereas the inferred total subhalo mass can potentially be biased by nearly an order of magnitude. We therefore recommend that the effective subhalo lensing mass be reported in future lensing reconstructions, as this will allow for a more accurate comparison with the results of dark matter simulations.

  13. Further Rehabilitating CIV-based Black Hole Mass Estimates in Quasars

    Science.gov (United States)

    Brotherton, Michael S.; Runnoe, Jessie C.; Shang, Zhaohui; Varju, Melinda

    2016-06-01

    Virial black hole masses are routinely estimated for high-redshift quasars using the C IV lambda 1549 emission line using single-epoch spectra that provide a gas velocity and a continuum luminosity. Such masses are very uncertain, however, especially because C IV likely possesses a non-virial component that varies with the Eddington ratio. We have previously used the 1400 feature, a blend of S i IV and O IV] emission that does not suffer the problems of C IV, to rehabilitate C IV-based mases by providing a correction term. The C IV profile itself, however, provides enough information to correct the black hole masses and remove the effects of the non-virial component. We use Mg II-based black hole masses to calibrate and test a new C IV-based black hole mass formula using only C IV and continuum measurements superior to existing formulations, as well as to test for additional dependencies on luminosity.

  14. Estimation of heterogeneity in malaria transmission by stochastic modelling of apparent deviations from mass action kinetics

    Directory of Open Access Journals (Sweden)

    Smith Thomas A

    2008-01-01

    Full Text Available Abstract Background Quantifying heterogeneity in malaria transmission is a prerequisite for accurate predictive mathematical models, but the variance in field measurements of exposure overestimates true micro-heterogeneity because it is inflated to an uncertain extent by sampling variation. Descriptions of field data also suggest that the rate of Plasmodium falciparum infection is not proportional to the intensity of challenge by infectious vectors. This appears to violate the principle of mass action that is implied by malaria biology. Micro-heterogeneity may be the reason for this anomaly. It is proposed that the level of micro-heterogeneity can be estimated from statistical models that estimate the amount of variation in transmission most compatible with a mass-action model for the relationship of infection to exposure. Methods The relationship between the entomological inoculation rate (EIR for falciparum malaria and infection risk was reanalysed using published data for cohorts of children in Saradidi (western Kenya. Infection risk was treated as binomially distributed, and measurement-error (Poisson and negative binomial models were considered for the EIR. Models were fitted using Bayesian Markov chain Monte Carlo algorithms and model fit compared for models that assume either mass-action kinetics, facilitation, competition or saturation of the infection process with increasing EIR. Results The proportion of inocula that resulted in infection in Saradidi was inversely related to the measured intensity of challenge. Models of facilitation showed, therefore, a poor fit to the data. When sampling error in the EIR was neglected, either competition or saturation needed to be incorporated in the model in order to give a good fit. Negative binomial models for the error in exposure could achieve a comparable fit while incorporating the more parsimonious and biologically plausible mass action assumption. Models that assume negative binomial micro

  15. Determination of the neutrino mass from the beta decay of gaseous molecular tritium

    International Nuclear Information System (INIS)

    Decman, D.J.; Stoeffl, W.

    1992-06-01

    We set an upper limit of 8 eV for the mass of the electron antineutrino from studying the beta decay of tritium. We use a gaseous molecular tritium source, a high resolution magnetic spectrometer and a low background counting system to minimize the systematic errors encountered in these measurements. Our calibration data with radioactive 83m Kr enables us to measure our system response function and a good deal of atomic physics data. In addition to our end point results we have made the first measurement of the tritium beta decay spectrum below 200 keV. We find an excess of very low energy electrons which arise from molecular processes of the 3 He-T + ion

  16. Spring meeting of the scientific associations for atomic physics, high speed physics, mass spectrometry, molecular physics, plasma physics

    International Nuclear Information System (INIS)

    1996-01-01

    The volume contains the abstracts of the contributions to the Spring Meeting in Rostock with aspects of atomic physics, molecular physics, high speed physics, plasma physics and mass spectrometry. (MM)

  17. Chemistry of the High-mass Protostellar Molecular Clump IRAS 16562–3959

    Science.gov (United States)

    Guzmán, Andrés E.; Guzmán, Viviana V.; Garay, Guido; Bronfman, Leonardo; Hechenleitner, Federico

    2018-06-01

    We present molecular line observations of the high-mass molecular clump IRAS 16562‑3959 taken at 3 mm using the Atacama Large Millimeter/submillimeter Array at 1.″7 angular resolution (0.014 pc spatial resolution). This clump hosts the actively accreting high-mass young stellar object (HMYSO) G345.4938+01.4677, which is associated with a hypercompact H II region. We identify and analyze emission lines from 22 molecular species (encompassing 34 isomers) and classify them into two groups, depending on their spatial distribution within the clump. One of these groups gathers shock tracers (e.g., SiO, SO, HNCO) and species formed in dust grains like methanol (CH3OH), ethenone or ketene (H2CCO), and acetaldehyde (CH3CHO). The second group collects species closely resembling the dust continuum emission morphology and are formed mainly in the gas phase, like hydrocarbons (CCH, c-C3H2, CH3CCH), cyanopolyynes (HC3N and HC5N), and cyanides (HCN and CH3C3N). Emission from complex organic molecules (COMs) like CH3OH, propanenitrile (CH3CH2CN), and methoxymethane (CH3OCH3) arise from gas in the vicinity of a hot molecular core (T ≳ 100 K) associated with the HMYSO. Other COMs such as propyne (CH3CCH), acrylonitrile (CH2CHCN), and acetaldehyde seem to better trace warm (T ≲ 80 K) dense gas. In addition, deuterated ammonia (NH2D) is detected mostly in the outskirts of IRAS 16562‑3959 and associated with near-infrared dark globules, probably gaseous remnants of the clump’s prestellar phase. The spatial distribution of molecules in IRAS 16562‑3959 supports the view that in protostellar clumps, chemical tracers associated with different evolutionary stages—starless to hot cores/H II regions—exist coevally.

  18. Nanosecond and femtosecond mass spectroscopic analysis of a molecular beam produced by the spray-jet technique

    International Nuclear Information System (INIS)

    Yamada, Toshiki; Shinohara, Hidenori; Kamikado, Toshiya; Okuno, Yoshishige; Suzuki, Hitoshi; Mashiko, Shinro; Yokoyama, Shiyoshi

    2008-01-01

    The spray-jet molecular beam apparatus enabled us to produce a molecular beam of non-volatile molecules under high vacuum from a sprayed mist of sample solutions. The apparatus has been used in spectroscopic studies and as a means of molecular beam deposition. We analyzed the molecular beam, consisting of non-volatile, solvent, and carrier-gas molecules, by using femtosecond- and nanosecond- laser mass spectroscopy. The information thus obtained provided insight into the molecular beam produced by the spray-jet technique

  19. Mass spectrometric study of thermodynamic properties of gaseous lead tellurates. Estimation of formation enthalpies of gaseous lead polonates

    Energy Technology Data Exchange (ETDEWEB)

    Shugurov, S.M., E-mail: s.shugurov@spbu.ru; Panin, A.I.; Lopatin, S.I.; Emelyanova, K.A.

    2016-10-15

    Gaseous reactions involving lead oxides, tellurium oxide and lead tellurates were studied by the Knudsen effusion mass spectrometry. Equilibrium constants and reaction enthalpies were evaluated. Structures, molecular parameters and thermodynamic functions of gaseous PbTeO{sub 3} and Pb{sub 2}TeO{sub 4} were calculated by quantum chemistry methods. The formation enthalpies Δ{sub f}H{sup 0} (298.15) = −294 ± 13 for gaseous PbTeO{sub 3} and Δ{sub f}H{sup 0} (298.15) = −499 ± 12 for gaseous Pb{sub 2}TeO{sub 4} were obtained. On the base of these results the formation enthalpies of gaseous PbPoO{sub 3} and Pb{sub 2}PoO{sub 4} were estimated as −249 ± 34 and −478 ± 38, respectively. - Highlights: • Gaseous lead tellurates PbTeO{sub 3}, Pb{sub 2}TeO{sub 4} were discovered. • Their thermodynamic properties were studied using both high temperature mass spectrometry and quantum chemistry computations. • The obtained data allows to predict the formation enthalpies of gaseous lead polonates PbPoO{sub 3}, Pb{sub 2}PoO{sub 4}.

  20. Pulsed glow discharge mass spectrometry for molecular depth profiling of polymers

    International Nuclear Information System (INIS)

    Lobo, L.; Pereiro, R.; Sanz-Medel, A.; Bordel, N.; Pisonero, J.; Licciardello, A.; Tuccitto, N.; Tempez, A.; Chapon, P.

    2009-01-01

    Full text: Nowadays thin films of polymeric materials involve a wide range of industrial applications, so techniques capable of providing in-depth profile information are required. Most of the techniques available for this purpose are based on the use of energetic particle beams which interact with polymers producing undesirable physicochemical modifications. Radiofrequency pulsed glow discharge (rf-pulsed-GD) coupled to time-of-flight mass spectrometry (TOFMS) could afford the possibility of acquiring both elemental and molecular information creating minimal damage to surfaces and thereby obtaining depth profiles. This work will evaluate rf-GDs coupled to an orthogonal TOFMS for direct analysis of polymers. (author)

  1. Mass spectrometric identification of Au68(SR)34 molecular gold nanoclusters with 34-electron shell closing.

    Science.gov (United States)

    Dass, Amala

    2009-08-26

    The molecular formula Au(68)(SCH(2)CH(2)Ph)(34) has been assigned to the 14 kDa nanocluster using MALDI-TOF mass spectrometry. The 34-electron shell closing in a macroscopically obtained thiolated gold nanocluster is demonstrated. The Au(68) nanocluster is predicted to have a 49 atom Marks decahedral core with 19 inner core atoms and 30 outer atoms chelating with the staple motifs. The nanoclusters' predicted formulation is [Au](19+30) [Au(SR)(2)](11) [Au(2)(SR)(3)](4).

  2. A molecular beam/quadrupole mass spectrometer system with synchronized beam modulation and digital waveform analysis

    Science.gov (United States)

    Pellett, G. L.; Adams, B. R.

    1983-01-01

    A performance evaluation is conducted for a molecular beam/mass spectrometer (MB/MS) system, as applied to a 1-30 torr microwave-discharge flow reactor (MWFR) used in the formation of the methylperoxy radical and a study of its subsequent destruction in the presence or absence of NO(x). The modulated MB/MS system is four-staged and differentially pumped. The results obtained by the MWFR study is illustrative of overall system performance, including digital waveform analysis; significant improvements over previous designs are noted in attainable S/N ratio, detection limit, and accuracy.

  3. Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

    DEFF Research Database (Denmark)

    Wang, Mingxun; Carver, Jeremy J.; Pevzner, Pavel

    2016-01-01

    are well-suited to high-throughput characterization of NP, there is a pressing need for an infrastructure to enable sharing and curation of data. We present Global Natural Products Social Molecular Networking (GNPS; http://gnps.ucsd.edu), an open-access knowledge base for community-wide organization...... and sharing of raw, processed or identified tandem mass (MS/MS) spectrometry data. In GNPS, crowdsourced curation of freely available community-wide reference MS libraries will underpin improved annotations. Data-driven social-networking should facilitate identification of spectra and foster collaborations...

  4. Regional GRACE-based estimates of water mass variations over Australia: validation and interpretation

    Science.gov (United States)

    Seoane, L.; Ramillien, G.; Frappart, F.; Leblanc, M.

    2013-04-01

    Time series of regional 2°-by-2° GRACE solutions have been computed from 2003 to 2011 with a 10 day resolution by using an energy integral method over Australia [112° E 156° E; 44° S 10° S]. This approach uses the dynamical orbit analysis of GRACE Level 1 measurements, and specially accurate along-track K Band Range Rate (KBRR) residuals (1 μm s-1 level of error) to estimate the total water mass over continental regions. The advantages of regional solutions are a significant reduction of GRACE aliasing errors (i.e. north-south stripes) providing a more accurate estimation of water mass balance for hydrological applications. In this paper, the validation of these regional solutions over Australia is presented as well as their ability to describe water mass change as a reponse of climate forcings such as El Niño. Principal component analysis of GRACE-derived total water storage maps show spatial and temporal patterns that are consistent with independent datasets (e.g. rainfall, climate index and in-situ observations). Regional TWS show higher spatial correlations with in-situ water table measurements over Murray-Darling drainage basin (80-90%), and they offer a better localization of hydrological structures than classical GRACE global solutions (i.e. Level 2 GRGS products and 400 km ICA solutions as a linear combination of GFZ, CSR and JPL GRACE solutions).

  5. Estimation of bone Calcium-to-Phosphorous mass ratio using dual-energy nonlinear polynomial functions

    International Nuclear Information System (INIS)

    Sotiropoulou, P; Koukou, V; Martini, N; Nikiforidis, G; Michail, C; Kandarakis, I; Fountos, G; Kounadi, E

    2015-01-01

    In this study an analytical approximation of dual-energy inverse functions is presented for the estimation of the calcium-to-phosphorous (Ca/P) mass ratio, which is a crucial parameter in bone health. Bone quality could be examined by the X-ray dual-energy method (XDEM), in terms of bone tissue material properties. Low- and high-energy, log- intensity measurements were combined by using a nonlinear function, to cancel out the soft tissue structures and generate the dual energy bone Ca/P mass ratio. The dual-energy simulated data were obtained using variable Ca and PO 4 thicknesses on a fixed total tissue thickness. The XDEM simulations were based on a bone phantom. Inverse fitting functions with least-squares estimation were used to obtain the fitting coefficients and to calculate the thickness of each material. The examined inverse mapping functions were linear, quadratic, and cubic. For every thickness, the nonlinear quadratic function provided the optimal fitting accuracy while requiring relative few terms. The dual-energy method, simulated in this work could be used to quantify bone Ca/P mass ratio with photon-counting detectors. (paper)

  6. Mass spectral chemical fingerprints reveal the molecular dependence of exhaust particulate matters on engine speeds.

    Science.gov (United States)

    Li, Yi; Zhang, Hua; Zhao, Zongshan; Tian, Yong; Liu, Kun; Jie, Feifan; Zhu, Liang; Chen, Huanwen

    2018-05-01

    Particulate matters (PMs) emitted by automobile exhaust contribute to a significant fraction of the global PMs. Extractive atmospheric pressure chemical ionization mass spectrometry (EAPCI-MS) was developed to explore the molecular dependence of PMs collected from exhaust gases produced at different vehicle engine speeds. The mass spectral fingerprints of the organic compounds embedded in differentially sized PMs (e.g., 0.22-0.45, 0.45-1.00, 1.00-2.00, 2.00-3.00, 3.00-5.00, and 5.00-10.00μm) generated at different engine speeds (e.g., 1000, 1500, 2000, 2500, and 3000r/min) were chemically profiled in the mass range of mass to charge ratio (m/z) 50-800. Organic compounds, including alcohols, aldehydes, and esters, were detected in all the PMs tested, with varied concentration levels for each individual PM sample. At relatively low engine speeds (≤1500r/min), the total amount of organic species embedded in PMs of 0.22-1.00μm was greater than in PMs of other sizes, while more organic species were found in PMs of 5.00-10.00μm at high engine speeds (≥3000r/min), indicating that the organic compounds distributed in different sizes of PMs strongly correlated with the engine speed. The experimental data showed that the EAPCI-MS technique enables molecular characterization of PMs in exhaust, revealing the chemical dependence of PMs on the engine speeds (i.e., the combustion conditions) of automobiles. Copyright © 2017. Published by Elsevier B.V.

  7. Atmospheric Oxidation of Squalene: Molecular Study Using COBRA Modeling and High-Resolution Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Fooshee, David R.; Aiona, Paige K.; Laskin, Alexander; Laskin, Julia; Nizkorodov, Sergey; Baldi, Pierre

    2015-10-22

    Squalene is a major component of skin and plant surface lipids, and is known to be present at high concentrations in indoor dust. Its high reactivity toward ozone makes it an important ozone sink and a natural protectant against atmospheric oxidizing agents. While the volatile products of squalene ozonolysis are known, the condensed-phase products have not been characterized. We present an analysis of condensed-phase products resulting from an extensive oxidation of squalene by ozone probed by electrospray ionization (ESI) high-resolution mass spectrometry (HR-MS). A complex distribution of nearly 1,300 peaks assignable to molecular formulas is observed in direct infusion positive ion mode ESI mass spectra. The distribution of peaks in the mass spectra suggests that there are extensive cross-coupling reactions between hydroxy-carbonyl products of squalene ozonolysis. To get additional insights into the mechanism, we apply a Computational Brewing Application (COBRA) to simulate the oxidation of squalene in the presence of ozone, and compare predicted results with those observed by the HR-MS experiments. The system predicts over one billion molecular structures between 0-1450 Da, which correspond to about 27,000 distinct elemental formulas. Over 83% of the squalene oxidation products inferred from the mass spectrometry data are matched by the simulation. Simulation indicates a prevalence of peroxy groups, with hydroxyl and ether groups being the second-most important O-containing functional groups formed during squalene oxidation. These highly oxidized products of squalene ozonolysis may accumulate on indoor dust and surfaces, and contribute to their redox capacity.

  8. Hydrodynamic characterization and molecular weight estimation of ultrasonically sheared DNA; Caracterizacion hidrodinamica y estimacion de pesos moleculares de DNA degradado por ultrasonidos

    Energy Technology Data Exchange (ETDEWEB)

    Casal, J I; Garces, F; Garcia-Sacristan, A

    1981-07-01

    The sedimentation coefficients and intrinsic viscosities of ultrasonically sheared calf thymus DNA have been determined. The molecular weight estimation according to this parameters have been compared with the ones obtained from the electrophoretic migration rates based on the calibration proposed using the known molecular weight restriction fragments of X-ENA. (Author) 35 refs.

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

    Energy Technology Data Exchange (ETDEWEB)

    Pang, Yuan-Ping, E-mail: pang@mayo.edu

    2014-09-26

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

  10. Limit on the anti nu/sub e/ mass in free molecular tritium beta decay

    International Nuclear Information System (INIS)

    Bowles, T.J.; Wilkerson, J.F.; Browne, J.C.; Maley, M.P.; Robertson, R.G.H.; Knapp, D.A.; Helffrich, J.A.

    1986-01-01

    The question of a nonzero neutrino mass has received considerable attention since the claims of Lyubimov et al in 1980 were published which showed evidence for an electron antineutrino mass between 14 and 46 eV, with a best fit value of 35 eV. However, there are still considerable concerns about possible systematic problems in thier experiment. Many of these concerns revolve around the use of a tritiated valine source, in which the energy given up in final state excitations of the molecule following the veta decay of one of the tritium atoms is comparable to the size of the neutrino mass observed. The effect of these final state effects is difficult to calculate in a molecule as complex as valine. In addition, ionization energy loss and backscattering of the betas in traversing the solid source are appreciable and must be very accurately accounted for. These concerns have led us to carry out an experiment using free molecular tritium as the source material. The final state effects have been accurately calculated for the tritium molecule and the uncertainties in these calculations cannot generate a spurious neutrino mass greater than 1 eV. in addition, the energy loss in the source is small because the source consists of tritium only and there is no backscattering

  11. Mass transfer ranking of polylysine, poly-ornithine and poly-methylene-co-guanidine microcapsule membranes using a single low molecular mass marker

    Directory of Open Access Journals (Sweden)

    Rosinski Stefan

    2003-01-01

    Full Text Available On the long way to clinical transplantable hybrid systems, comprising of cells, acting as immuno-protected bioreactors microencapsulated in a polymeric matrix and delivering desired factors (proteins, hormones, enzymes etc to the patient's body, an important step is the optimization of the microcapsule. This topic includes the selection of a proper coating membrane which could fulfil, first of all, the mass transfer as well as biocompatibility, stability and durability requirements. Three different membranes from polymerised aminoacids, formed around exactly identical alginate gel cores, were considered, concerning their mass transport properties, as potential candidates in this task. The results of the evaluation of the mass ingress and mass transfer coefficient h for the selected low molecular mass marker, vitamin B12, in poly-L-lysine (HPLL poly-L-ornithine (HPLO and poly-methylene-co-guanidine hydrochloride (HPMCG membrane alginate microcapsules demonstrate the advantage of using the mass transfer approach to a preliminary screening of various microcapsule formulations. Applying a single marker and evaluating mass transfer coefficients can help to quickly rank the investigated membranes and microcapsules according to their permeability. It has been demonstrated that HPLL, HPLO and HPMCG microcapsules differ from each other by a factor of two concerning the rate of low molecular mass marker transport. Interesting differences in mass transfer through the membrane in both directions in-out was also found, which could possibly be related to the membrane asymmetry.

  12. Estimation of Groundwater Recharge at Pahute Mesa using the Chloride Mass-Balance Method

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, Clay A [DRI; Hershey, Ronald L [DRI; Healey, John M [DRI; Lyles, Brad F [DRI

    2013-07-01

    Groundwater recharge on Pahute Mesa was estimated using the chloride mass-balance (CMB) method. This method relies on the conservative properties of chloride to trace its movement from the atmosphere as dry- and wet-deposition through the soil zone and ultimately to the saturated zone. Typically, the CMB method assumes no mixing of groundwater with different chloride concentrations; however, because groundwater is thought to flow into Pahute Mesa from valleys north of Pahute Mesa, groundwater flow rates (i.e., underflow) and chloride concentrations from Kawich Valley and Gold Flat were carefully considered. Precipitation was measured with bulk and tipping-bucket precipitation gauges installed for this study at six sites on Pahute Mesa. These data, along with historical precipitation amounts from gauges on Pahute Mesa and estimates from the PRISM model, were evaluated to estimate mean annual precipitation. Chloride deposition from the atmosphere was estimated by analyzing quarterly samples of wet- and dry-deposition for chloride in the bulk gauges and evaluating chloride wet-deposition amounts measured at other locations by the National Atmospheric Deposition Program. Mean chloride concentrations in groundwater were estimated using data from the UGTA Geochemistry Database, data from other reports, and data from samples collected from emplacement boreholes for this study. Calculations were conducted assuming both no underflow and underflow from Kawich Valley and Gold Flat. Model results estimate recharge to be 30 mm/yr with a standard deviation of 18 mm/yr on Pahute Mesa, for elevations >1800 m amsl. These estimates assume Pahute Mesa recharge mixes completely with underflow from Kawich Valley and Gold Flat. The model assumes that precipitation, chloride concentration in bulk deposition, underflow and its chloride concentration, have been constant over the length of time of recharge.

  13. An anthropometric model to estimate neonatal fat mass using air displacement plethysmography

    Directory of Open Access Journals (Sweden)

    Deierlein Andrea L

    2012-03-01

    Full Text Available Abstract Background Current validated neonatal body composition methods are limited/impractical for use outside of a clinical setting because they are labor intensive, time consuming, and require expensive equipment. The purpose of this study was to develop an anthropometric model to estimate neonatal fat mass (kg using an air displacement plethysmography (PEA POD® Infant Body Composition System as the criterion. Methods A total of 128 healthy term infants, 60 females and 68 males, from a multiethnic cohort were included in the analyses. Gender, race/ethnicity, gestational age, age (in days, anthropometric measurements of weight, length, abdominal circumference, skin-fold thicknesses (triceps, biceps, sub scapular, and thigh, and body composition by PEA POD® were collected within 1-3 days of birth. Backward stepwise linear regression was used to determine the model that best predicted neonatal fat mass. Results The statistical model that best predicted neonatal fat mass (kg was: -0.012 -0.064*gender + 0.024*day of measurement post-delivery -0.150*weight (kg + 0.055*weight (kg2 + 0.046*ethnicity + 0.020*sum of three skin-fold thicknesses (triceps, sub scapular, and thigh; R2 = 0.81, MSE = 0.08 kg. Conclusions Our anthropometric model explained 81% of the variance in neonatal fat mass. Future studies with a greater variety of neonatal anthropometric measurements may provide equations that explain more of the variance.

  14. Derivation of the mass factors for decommissioning cost estimation of low contaminated auxiliary systems

    International Nuclear Information System (INIS)

    Poskas, G.

    2015-01-01

    Ignalina NPP was operating two RBMK-1500 reactors. Unit 1 was closed at the end of 2004, and Unit 2 - at the end of 2009. Now they are under decommissioning. Decommissioning has been started from the reactor's periphery, with dismantling of non-contaminated and low contaminated equipment and installations. This paper discusses a methodology for derivation of mass factors for preliminary decommissioning costing at NPP when the number of inventory items is significant, and separate consideration of each inventory item is impossible or impractical for preliminary decommissioning plan, especially when the level of radioactive contamination is very low. The methodology is based on detailed data analysis of building V1 taking into account period and inventory based activities, investment and consumables and other decommissioning approach- related properties for building average mass factors. The methodology can be used for cost estimation of preliminary decommissioning planning of NPP auxiliary buildings with mostly very low level contamination. (authors)

  15. A Method for Estimating Meteorite Fall Mass from Weather Radar Data

    Science.gov (United States)

    Laird, C.; Fries, M.; Matson, R.

    2017-01-01

    Techniques such as weather RADAR, seismometers, and all-sky cameras allow new insights concerning the physics of meteorite fall dynamics and fragmentation during "dark flight", the period of time between the end of the meteor's luminous flight and the concluding impact on the Earth's surface. Understanding dark flight dynamics enables us to rapidly analyze the characteristics of new meteorite falls. This analysis will provide essential information to meteorite hunters to optimize recovery, increasing the frequency and total mass of scientifically important freshly-fallen meteorites available to the scientific community. We have developed a mathematical method to estimate meteorite fall mass using reflectivity data as recorded by National Oceanic and Atmospheric Administration (NOAA) Next Generation RADAR (NEXRAD) stations. This study analyzed eleven official and one unofficial meteorite falls in the United States and Canada to achieve this purpose.

  16. Document authentication at molecular levels using desorption atmospheric pressure chemical ionization mass spectrometry imaging.

    Science.gov (United States)

    Li, Ming; Jia, Bin; Ding, Liying; Hong, Feng; Ouyang, Yongzhong; Chen, Rui; Zhou, Shumin; Chen, Huanwen; Fang, Xiang

    2013-09-01

    Molecular images of documents were obtained by sequentially scanning the surface of the document using desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS), which was operated in either a gasless, solvent-free or methanol vapor-assisted mode. The decay process of the ink used for handwriting was monitored by following the signal intensities recorded by DAPCI-MS. Handwritings made using four types of inks on four kinds of paper surfaces were tested. By studying the dynamic decay of the inks, DAPCI-MS imaging differentiated a 10-min old from two 4 h old samples. Non-destructive forensic analysis of forged signatures either handwritten or computer-assisted was achieved according to the difference of the contour in DAPCI images, which was attributed to the strength personalized by different writers. Distinction of the order of writing/stamping on documents and detection of illegal printings were accomplished with a spatial resolution of about 140 µm. A Matlab® written program was developed to facilitate the visualization of the similarity between signature images obtained by DAPCI-MS. The experimental results show that DAPCI-MS imaging provides rich information at the molecular level and thus can be used for the reliable document analysis in forensic applications. © 2013 The Authors. Journal of Mass Spectrometry published by John Wiley & Sons, Ltd.

  17. Applications of free-jet, molecular beam, mass spectrometric sampling: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Milne, T. [ed.

    1995-03-01

    Over the past 35 years, the study of die behavior and uses of free-jet expansions for laboratory experiments has greatly expanded and matured. Not the least of these uses of free-jet expansions, is that of extractive sampling from high temperature, reactive systems. The conversion of the free-jet expanded gases to molecular flow for direct introduction into the ion source of a mass spectrometer offers several advantages, to be illustrated in these pages. Two meetings on this subject were held in 1965 and 1972 in Missouri, sponsored by the Office of Naval Research and Midwest Research Institute. At these meetings rarefied gas dynamicists came together with scientists using free-jet sampling for analytical purposes. After much too long a time, this workshop was convened to bring together modem practitioners of FJMBS (Free-jet, Molecular-beam, mass spectrometry) and long time students of the free-jet process itself, to assess the current state of the art and to forge a community that can foster the development of this novel analytical approach. This proceedings is comprised of 38 individually submitted papers. Individual papers are indexed separately on the Energy Data Base.

  18. The molecular mass of dextran used to modify magnetite nanoparticles affects insulin amyloid aggregation

    Energy Technology Data Exchange (ETDEWEB)

    Siposova, Katarina [Department of Biophysics, Institute of Experimental Physics, Slovak Academy of Sciences, Kosice (Slovakia); Pospiskova, Kristyna [Regional Centre of Advanced Technologies and Materials, Palacky University, Olomouc (Czech Republic); Bednarikova, Zuzana [Department of Biophysics, Institute of Experimental Physics, Slovak Academy of Sciences, Kosice (Slovakia); Department of Biochemistry, Faculty of Science, Safarik University, Kosice (Slovakia); Safarik, Ivo [Regional Centre of Advanced Technologies and Materials, Palacky University, Olomouc (Czech Republic); Department of Nanobiotechnology, Biology Centre, ISB, CAS, Ceske Budejovice (Czech Republic); Safarikova, Mirka [Department of Nanobiotechnology, Biology Centre, ISB, CAS, Ceske Budejovice (Czech Republic); Kubovcikova, Martina; Kopcansky, Peter [Department of Magnetism, Institute of Experimental Physics, Slovak Academy of Sciences, Kosice (Slovakia); Gazova, Zuzana, E-mail: gazova@saske.sk [Department of Biophysics, Institute of Experimental Physics, Slovak Academy of Sciences, Kosice (Slovakia)

    2017-04-01

    Protein transformation from its soluble state into amyloid aggregates is associated with amyloid-related diseases. Amyloid deposits of insulin fibrils have been found in the sites of subcutaneous insulin application in patients with prolonged diabetes. Using atomic force microscopy and ThT fluorescence assay we have investigated the interference of insulin amyloid aggregation with superparamagnetic Fe{sub 3}O{sub 4}-based nanoparticles (SPIONs) coated with dextran (DEX); molecular mass of dextran was equal to 15–20, 40 or 70 kDa. The obtained data indicate that all three types of dextran coated nanoparticles (NP-FeDEXs) are able to inhibit insulin fibrillization and to destroy amyloid fibrils. The extent of anti-amyloid activities depends on the properties of NP-FeDEXs, mainly on the size of nanoparticles which is determined by molecular mass of dextran molecules. The most effective inhibiting activity was observed for the smallest nanoparticles coated with 15–20 kDa dextran. Contrary, the highest destroying activity was observed for the largest NP-FeDEX (70 kDa dextran). - Highlights: • Interference of dextran- magnetite nanoparticles with insulin amyloid aggregation. • Nanoparticles inhibited insulin fibrillization and depolymerized insulin amyloid fibrils. • Size of nanoparticles significantly influences their anti-amyloid activities. • The most effective inhibition of insulin amyloid fibrillization was detected for the smallest nanoparticles. • Contrary, DC{sub 50} values decreased with increasing size of nanoparticles.

  19. Mass Spectrometry-based Approaches to Understand the Molecular Basis of Memory

    Directory of Open Access Journals (Sweden)

    Arthur Henriques Pontes

    2016-10-01

    Full Text Available The central nervous system is responsible for an array of cognitive functions such as memory, learning, language and attention. These processes tend to take place in distinct brain regions; yet, they need to be integrated to give rise to adaptive or meaningful behavior. Since cognitive processes result from underlying cellular and molecular changes, genomics and transcriptomics assays have been applied to human and animal models to understand such events. Nevertheless, genes and RNAs are not the end products of most biological functions. In order to gain further insights toward the understanding of brain processes, the field of proteomics has been of increasing importance in the past years. Advancements in liquid chromatography-tandem mass spectrometry (LC-MS/MS have enable the identification and quantification of thousand of proteins with high accuracy and sensitivity, fostering a revolution in the neurosciences. Herein, we review the molecular bases of explicit memory in the hippocampus. We outline the principles of mass spectrometry (MS-based proteomics, highlighting the use of this analytical tool to study memory formation. In addition, we discuss MS-based targeted approaches as the future of protein analysis.

  20. The molecular mass of dextran used to modify magnetite nanoparticles affects insulin amyloid aggregation

    Science.gov (United States)

    Siposova, Katarina; Pospiskova, Kristyna; Bednarikova, Zuzana; Safarik, Ivo; Safarikova, Mirka; Kubovcikova, Martina; Kopcansky, Peter; Gazova, Zuzana

    2017-04-01

    Protein transformation from its soluble state into amyloid aggregates is associated with amyloid-related diseases. Amyloid deposits of insulin fibrils have been found in the sites of subcutaneous insulin application in patients with prolonged diabetes. Using atomic force microscopy and ThT fluorescence assay we have investigated the interference of insulin amyloid aggregation with superparamagnetic Fe3O4-based nanoparticles (SPIONs) coated with dextran (DEX); molecular mass of dextran was equal to 15-20, 40 or 70 kDa. The obtained data indicate that all three types of dextran coated nanoparticles (NP-FeDEXs) are able to inhibit insulin fibrillization and to destroy amyloid fibrils. The extent of anti-amyloid activities depends on the properties of NP-FeDEXs, mainly on the size of nanoparticles which is determined by molecular mass of dextran molecules. The most effective inhibiting activity was observed for the smallest nanoparticles coated with 15-20 kDa dextran. Contrary, the highest destroying activity was observed for the largest NP-FeDEX (70 kDa dextran).

  1. The molecular mass of dextran used to modify magnetite nanoparticles affects insulin amyloid aggregation

    International Nuclear Information System (INIS)

    Siposova, Katarina; Pospiskova, Kristyna; Bednarikova, Zuzana; Safarik, Ivo; Safarikova, Mirka; Kubovcikova, Martina; Kopcansky, Peter; Gazova, Zuzana

    2017-01-01

    Protein transformation from its soluble state into amyloid aggregates is associated with amyloid-related diseases. Amyloid deposits of insulin fibrils have been found in the sites of subcutaneous insulin application in patients with prolonged diabetes. Using atomic force microscopy and ThT fluorescence assay we have investigated the interference of insulin amyloid aggregation with superparamagnetic Fe 3 O 4 -based nanoparticles (SPIONs) coated with dextran (DEX); molecular mass of dextran was equal to 15–20, 40 or 70 kDa. The obtained data indicate that all three types of dextran coated nanoparticles (NP-FeDEXs) are able to inhibit insulin fibrillization and to destroy amyloid fibrils. The extent of anti-amyloid activities depends on the properties of NP-FeDEXs, mainly on the size of nanoparticles which is determined by molecular mass of dextran molecules. The most effective inhibiting activity was observed for the smallest nanoparticles coated with 15–20 kDa dextran. Contrary, the highest destroying activity was observed for the largest NP-FeDEX (70 kDa dextran). - Highlights: • Interference of dextran- magnetite nanoparticles with insulin amyloid aggregation. • Nanoparticles inhibited insulin fibrillization and depolymerized insulin amyloid fibrils. • Size of nanoparticles significantly influences their anti-amyloid activities. • The most effective inhibition of insulin amyloid fibrillization was detected for the smallest nanoparticles. • Contrary, DC 50 values decreased with increasing size of nanoparticles.

  2. Estimating Mass Properties of Dinosaurs Using Laser Imaging and 3D Computer Modelling

    Science.gov (United States)

    Bates, Karl T.; Manning, Phillip L.; Hodgetts, David; Sellers, William I.

    2009-01-01

    Body mass reconstructions of extinct vertebrates are most robust when complete to near-complete skeletons allow the reconstruction of either physical or digital models. Digital models are most efficient in terms of time and cost, and provide the facility to infinitely modify model properties non-destructively, such that sensitivity analyses can be conducted to quantify the effect of the many unknown parameters involved in reconstructions of extinct animals. In this study we use laser scanning (LiDAR) and computer modelling methods to create a range of 3D mass models of five specimens of non-avian dinosaur; two near-complete specimens of Tyrannosaurus rex, the most complete specimens of Acrocanthosaurus atokensis and Strutiomimum sedens, and a near-complete skeleton of a sub-adult Edmontosaurus annectens. LiDAR scanning allows a full mounted skeleton to be imaged resulting in a detailed 3D model in which each bone retains its spatial position and articulation. This provides a high resolution skeletal framework around which the body cavity and internal organs such as lungs and air sacs can be reconstructed. This has allowed calculation of body segment masses, centres of mass and moments or inertia for each animal. However, any soft tissue reconstruction of an extinct taxon inevitably represents a best estimate model with an unknown level of accuracy. We have therefore conducted an extensive sensitivity analysis in which the volumes of body segments and respiratory organs were varied in an attempt to constrain the likely maximum plausible range of mass parameters for each animal. Our results provide wide ranges in actual mass and inertial values, emphasizing the high level of uncertainty inevitable in such reconstructions. However, our sensitivity analysis consistently places the centre of mass well below and in front of hip joint in each animal, regardless of the chosen combination of body and respiratory structure volumes. These results emphasize that future

  3. Estimating mass properties of dinosaurs using laser imaging and 3D computer modelling.

    Directory of Open Access Journals (Sweden)

    Karl T Bates

    Full Text Available Body mass reconstructions of extinct vertebrates are most robust when complete to near-complete skeletons allow the reconstruction of either physical or digital models. Digital models are most efficient in terms of time and cost, and provide the facility to infinitely modify model properties non-destructively, such that sensitivity analyses can be conducted to quantify the effect of the many unknown parameters involved in reconstructions of extinct animals. In this study we use laser scanning (LiDAR and computer modelling methods to create a range of 3D mass models of five specimens of non-avian dinosaur; two near-complete specimens of Tyrannosaurus rex, the most complete specimens of Acrocanthosaurus atokensis and Strutiomimum sedens, and a near-complete skeleton of a sub-adult Edmontosaurus annectens. LiDAR scanning allows a full mounted skeleton to be imaged resulting in a detailed 3D model in which each bone retains its spatial position and articulation. This provides a high resolution skeletal framework around which the body cavity and internal organs such as lungs and air sacs can be reconstructed. This has allowed calculation of body segment masses, centres of mass and moments or inertia for each animal. However, any soft tissue reconstruction of an extinct taxon inevitably represents a best estimate model with an unknown level of accuracy. We have therefore conducted an extensive sensitivity analysis in which the volumes of body segments and respiratory organs were varied in an attempt to constrain the likely maximum plausible range of mass parameters for each animal. Our results provide wide ranges in actual mass and inertial values, emphasizing the high level of uncertainty inevitable in such reconstructions. However, our sensitivity analysis consistently places the centre of mass well below and in front of hip joint in each animal, regardless of the chosen combination of body and respiratory structure volumes. These results emphasize

  4. Target selection and mass estimation for manned NEO exploration using a baseline mission design

    Science.gov (United States)

    Boden, Ralf C.; Hein, Andreas M.; Kawaguchi, Junichiro

    2015-06-01

    In recent years Near-Earth Objects (NEOs) have received an increased amount of interest as a target for human exploration. NEOs offer scientifically interesting targets, and at the same time function as a stepping stone for achieving future Mars missions. The aim of this research is to identify promising targets from the large number of known NEOs that qualify for a manned sample-return mission with a maximum duration of one year. By developing a baseline mission design and a mass estimation model, mission opportunities are evaluated based on on-orbit mass requirements, safety considerations, and the properties of the potential targets. A selection of promising NEOs is presented and the effects of mission requirements and restrictions are discussed. Regarding safety aspects, the use of free-return trajectories provides the lowest on-orbit mass, when compared to an alternative design that uses system redundancies to ensure return of the spacecraft to Earth. It is discovered that, although a number of targets are accessible within the analysed time frame, no NEO offers both easy access and high incentive for its exploration. Under the discussed aspects a first human exploration mission going beyond the vicinity of Earth will require a trade off between targets that provide easy access and those that are of scientific interest. This lack of optimal mission opportunities can be seen in the small number of only 4 NEOs that meet all requirements for a sample-return mission and remain below an on-orbit mass of 500 metric Tons (mT). All of them require a mass between 315 and 492 mT. Even less ideal, smaller asteroids that are better accessible require an on-orbit mass that exceeds the launch capability of future heavy lift vehicles (HLV) such as SLS by at least 30 mT. These mass requirements show that additional efforts are necessary to increase the number of available targets and reduce on-orbit mass requirements through advanced mission architectures. The need for on

  5. Use of primary beam filtration in estimating mass attenuation coefficients by Compton scattering

    International Nuclear Information System (INIS)

    O'Connor, B.H.; Chang, W.J.

    1985-01-01

    Mass attenuation coefficients (MACs) are frequently estimated over a range of wavelengths in x-ray spectrometry from the intensity of the Compton peak I /SUB C/ associated with a prominent tube line. The MAC μ /SUB ll/ at wavelength lambda is estimated from the MAC at the Compton wavelength lambda /SUB C/ with the approximations μ /SUB ll/ α μ /SUB C/ and μ /SUB C/ α l/I /SUB C/ , Systematic errors may introduce absorption edge bias (AEB) effects into the results, caused by sample components with absorption edges between lambda /SUB C/ and lambda. A procedure is described which eliminates AEB effects by measuring I /SUB C/ using emission radiation from a primary beam filter

  6. Detection of sputtered molecular doubly charged anions: a comparison of secondary-ion mass spectrometry (SIMS) and accelerator mass spectrometry (AMS)

    International Nuclear Information System (INIS)

    Gnaser, Hubert; Golser, Robin; Kutschera, Walter; Priller, Alfred; Steier, Peter; Vockenhuber, Christof

    2004-01-01

    The detection of small molecular dianions by secondary-ion mass spectrometry (SIMS) and by accelerator mass spectrometry (AMS) is compared. In SIMS, the existence of these dianions can be identified safely if the total mass number of the molecule is odd and the dianion is hence detected at a half-integral mass number. The occurrence of fragmentation processes which may interfere with this scheme, is illustrated by means of the energy spectra of singly and doubly charged negative cluster ions. As compared to SIMS, AMS can rely, in addition, on the break-up of molecular species in the stripping process: this allows to monitor the simultaneous arrival of several atomic constituents with a clear energetic pattern in coincidence at the detector. This feature is exemplified for the C 10 2- dianion

  7. Mass of 17O from Penning-trap mass spectrometry and molecular spectroscopy: A precision test of the Dunham-Watson model in carbon monoxide

    International Nuclear Information System (INIS)

    Mount, Brianna J.; Redshaw, Matthew; Myers, Edmund G.; Mueller, Holger S. P.

    2010-01-01

    By fitting the Dunham-Watson model to extensive rotational and vibrational spectroscopic data of isotopic variants of CO, and by using existing precise masses of 13 C, 16 O, and 18 O from Penning-trap mass spectrometry, we determine the atomic mass of 17 O to be M[ 17 O]=16.999 131 644(30) u, where the uncertainty is purely statistical. Using Penning-trap mass spectrometry, we have also directly determined the atomic mass of 17 O with the more precise result M[ 17 O]=16.999 131 756 6(9) u. The Dunham-Watson model applied to the molecular spectroscopic data hence predicts the mass of 17 O to better than 1 part in 10 8 .

  8. Environmental Forensics: Molecular Insight into Oil Spill Weathering Helps Advance High Magnetic Field FT-ICR Mass Spectrometry

    Science.gov (United States)

    McKenna, Amy

    2013-03-01

    The depletion of terrestrial global oil reserves has shifted oil exploration into offshore and ultra-deep water (> 5000 ft) oil reserves to meet global energy demands. Deep water reservoirs are currently in production in many parts of the world, including the Gulf of Mexico, but production is complicated by the water depth and thick salt caps that challenge reservoir characterization / production. The explosion aboard the Deepwater Horizon in April 2010 resulted in an estimated total release of ~5 million barrels (BP claims that they collected ~1M barrels, for a net release of 4 M) of light, sweet crude oil into the Gulf of Mexico and shifted attention toward the environmental risks associated with offshore oil production. The growing emphasis on deep water and ultra-deep water oil production poses a significant environmental threat, and increased regulations require that oil companies minimize environmental impact to prevent oil spills, and mitigate environmental damage when spills occur. Every oil spill is unique. The molecular transformations that occur to petroleum after contact with seawater depend on the physical and chemical properties of the spilled oil, environmental conditions, and deposition environment. Molecular-level knowledge of the composition, distribution, and total mass of released hydrocarbons is essential to disentangle photo- and bio-degradation, source identification, and long-term environmental impact of hydrocarbons released into the environment. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is unsurpassed in its ability to characterize complex mixtures at the level of elemental composition assignment. Only FT-ICR mass spectrometry can routinely achieve the required minimum resolving power necessary to elucidate molecular-level characterization of crude oil. Conversely, the spectral complexity of petroleum facilitates identification of systematic errors in the accumulation, transfer, excitation, and detection

  9. Modal mass estimation from ambient vibrations measurement: A method for civil buildings

    Science.gov (United States)

    Acunzo, G.; Fiorini, N.; Mori, F.; Spina, D.

    2018-01-01

    A new method for estimating the modal mass ratios of buildings from unscaled mode shapes identified from ambient vibrations is presented. The method is based on the Multi Rigid Polygons (MRP) model in which each floor of the building is ideally divided in several non-deformable polygons that move independent of each other. The whole mass of the building is concentrated in the centroid of the polygons and the experimental mode shapes are expressed in term of rigid translations and of rotations. In this way, the mass matrix of the building can be easily computed on the basis of simple information about the geometry and the materials of the structure. The modal mass ratios can be then obtained through the classical equation of structural dynamics. Ambient vibrations measurement must be performed according to this MRP models, using at least two biaxial accelerometers per polygon. After a brief illustration of the theoretical background of the method, numerical validations are presented analysing the method sensitivity for possible different source of errors. Quality indexes are defined for evaluating the approximation of the modal mass ratios obtained from a certain MRP model. The capability of the proposed model to be applied to real buildings is illustrated through two experimental applications. In the first one, a geometrically irregular reinforced concrete building is considered, using a calibrated Finite Element Model for validating the results of the method. The second application refers to a historical monumental masonry building, with a more complex geometry and with less information available. In both cases, MRP models with a different number of rigid polygons per floor are compared.

  10. Dietary flavonoid fisetin increases abundance of high-molecular-mass hyaluronan conferring resistance to prostate oncogenesis.

    Science.gov (United States)

    Lall, Rahul K; Syed, Deeba N; Khan, Mohammad Imran; Adhami, Vaqar M; Gong, Yuansheng; Lucey, John A; Mukhtar, Hasan

    2016-09-01

    We and others have shown previously that fisetin, a plant flavonoid, has therapeutic potential against many cancer types. Here, we examined the probable mechanism of its action in prostate cancer (PCa) using a global metabolomics approach. HPLC-ESI-MS analysis of tumor xenografts from fisetin-treated animals identified several metabolic targets with hyaluronan (HA) as the most affected. Efficacy of fisetin on HA was then evaluated in vitro and also in vivo in the transgenic TRAMP mouse model of PCa. Size exclusion chromatography-multiangle laser light scattering (SEC-MALS) was performed to analyze the molar mass (Mw) distribution of HA. Fisetin treatment downregulated intracellular and secreted HA levels both in vitro and in vivo Fisetin inhibited HA synthesis and degradation enzymes, which led to cessation of HA synthesis and also repressed the degradation of the available high-molecular-mass (HMM)-HA. SEC-MALS analysis of intact HA fragment size revealed that cells and animals have more abundance of HMM-HA and less of low-molecular-mass (LMM)-HA upon fisetin treatment. Elevated HA levels have been shown to be associated with disease progression in certain cancer types. Biological responses triggered by HA mainly depend on the HA polymer length where HMM-HA represses mitogenic signaling and has anti-inflammatory properties whereas LMM-HA promotes proliferation and inflammation. Similarly, Mw analysis of secreted HA fragment size revealed less HMM-HA is secreted that allowed more HMM-HA to be retained within the cells and tissues. Our findings establish that fisetin is an effective, non-toxic, potent HA synthesis inhibitor, which increases abundance of antiangiogenic HMM-HA and could be used for the management of PCa. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  11. Chemical analysis and genotoxicity of high molecular mass PAH in sediment samples and biota

    International Nuclear Information System (INIS)

    McCarry, B.E.; Marvin, C.H.; Smith, R.W.; Bryant, D.W.

    1995-01-01

    A normal phase liquid chromatography (NPLC) method was used to fractionate the organic extracts of prepared from coal tar-contaminated sediments from hamilton Harbor in Ontario and from Sydney Harbor in Nova Scotia into molecular mass classes. Each PAH fraction up to 302 amu was analyzed by GC-MS and fractions containing PAH with molecular masses greater than 302 amu were analyzed by atmospheric pressure chemical ionization (APCI) LC-MS.Each fraction was also subjected to Ames bioassays using a TA100-like strain of Salmonella typhimurium (YG1025 + S9). The 300/302 amu, 326/328 and 350/352 amu PAH fractions accounted for 25% of the total genotoxic response of the extract; these PAH constitute a substantial genotoxic burden. A number of 300, 302, 326, 350, 374 and 400 amu PAH were identified using APCI LC-MS and comparison with authentic standards. The non-polar aromatic extracts of bottom sediments, suspended sediments and zebra mussels from Hamilton Harbor were also examined by GC-MS, APCI LC-MS and genotoxicity bioassays. The profiles of the priority and high mass PAH in these samples were identical showing that all PAH up to and exceeding 400 amu were readily bioavailable to biota such as Zebra mussels. In addition, the pseudo faeces of the Zebra mussels and amphipod detritivores which fed on the pseudo faeces had chemical profiles identical to the Zebra mussels. Since many sport fish prize amphipods as food, this observation demonstrates a pathway for organic contaminants adsorbed to suspended sediments to enter the food chain of non-bottom-feeding fish in areas infested by Zebra mussels

  12. Mass spectrometry-based serum proteome pattern analysis in molecular diagnostics of early stage breast cancer

    Directory of Open Access Journals (Sweden)

    Stobiecki Maciej

    2009-07-01

    Full Text Available Abstract Background Mass spectrometric analysis of the blood proteome is an emerging method of clinical proteomics. The approach exploiting multi-protein/peptide sets (fingerprints detected by mass spectrometry that reflect overall features of a specimen's proteome, termed proteome pattern analysis, have been already shown in several studies to have applicability in cancer diagnostics. We aimed to identify serum proteome patterns specific for early stage breast cancer patients using MALDI-ToF mass spectrometry. Methods Blood samples were collected before the start of therapy in a group of 92 patients diagnosed at stages I and II of the disease, and in a group of age-matched healthy controls (104 women. Serum specimens were purified and the low-molecular-weight proteome fraction was examined using MALDI-ToF mass spectrometry after removal of albumin and other high-molecular-weight serum proteins. Protein ions registered in a mass range between 2,000 and 10,000 Da were analyzed using a new bioinformatic tool created in our group, which included modeling spectra as a sum of Gaussian bell-shaped curves. Results We have identified features of serum proteome patterns that were significantly different between blood samples of healthy individuals and early stage breast cancer patients. The classifier built of three spectral components that differentiated controls and cancer patients had 83% sensitivity and 85% specificity. Spectral components (i.e., protein ions that were the most frequent in such classifiers had approximate m/z values of 2303, 2866 and 3579 Da (a biomarker built from these three components showed 88% sensitivity and 78% specificity. Of note, we did not find a significant correlation between features of serum proteome patterns and established prognostic or predictive factors like tumor size, nodal involvement, histopathological grade, estrogen and progesterone receptor expression. In addition, we observed a significantly (p = 0

  13. Application of molecular beam mass spectrometry to chemical vapor deposition studies

    International Nuclear Information System (INIS)

    Hsu, W.L.; Tung, D.M.

    1992-01-01

    A molecular beam mass spectrometer system has been designed and constructed for the specific purpose of measuring the gaseous composition of the vapor environment during chemical vapor deposition of diamond. By the intrinsic nature of mass analysis, this type of design is adaptable to a broad range of other applications that rely either on thermal- or plasma-induced chemical kinetics. When gas is sampled at a relatively high process pressure (∼2700 Pa for our case), supersonic gas expansion at the sampling orifice can cause the detected signals to have a complicated dependence on the operating conditions. A comprehensive discussion is given on the effect of gas expansion on mass discrimination and signal scaling with sampling pressure and temperature, and how these obstacles can be overcome. This paper demonstrates that radical species can be detected with a sensitivity better than 10 ppm by the use of threshold ionization. A detailed procedure is described whereby one can achieve quantitative analysis of the detected species with an accuracy of ±20%. This paper ends with an example on the detection of H, H 2 , CH 3 , CH 4 , and C 2 H 2 during diamond growth

  14. New simultaneous thermogravimetry and modulated molecular beam mass spectrometry apparatus for quantitative thermal decomposition studies

    International Nuclear Information System (INIS)

    Behrens, R. Jr.

    1987-01-01

    A new type of instrument has been designed and constructed to measure quantitatively the gas phase species evolving during thermal decompositions. These measurements can be used for understanding the kinetics of thermal decomposition, determining the heats of formation and vaporization of high-temperature materials, and analyzing sample contaminants. The new design allows measurements to be made on the same time scale as the rates of the reactions being studied, provides a universal detection technique to study a wide range of compounds, gives quantitative measurements of decomposition products, and minimizes interference from the instrument on the measurements. The instrument design is based on a unique combination of thermogravimetric analysis (TGA), differential thermal analysis (DTA), and modulated beam mass spectroscopy (MBMS) which are brought together into a symbiotic relationship through the use of differentially pumped vacuum systems, modulated molecular beam techniques, and computer control and data-acquisition systems. A data analysis technique that calculates partial pressures in the reaction cell from the simultaneous microbalance force measurements and the modulated mass spectrometry measurements has been developed. This eliminates the need to know the ionization cross section, the ion dissociation channels, the quadrupole transmission, and the ion detector sensitivity for each thermal decomposition product prior to quantifying the mass spectral data. The operation of the instrument and the data analysis technique are illustrated with the thermal decomposition of contaminants from a precipitated palladium powder

  15. The impact of Spitzer infrared data on stellar mass estimates - and a revised galaxy stellar mass function at 0 < z < 5

    Science.gov (United States)

    Elsner, F.; Feulner, G.; Hopp, U.

    2008-01-01

    Aims:We estimate stellar masses of galaxies in the high redshift universe with the intention of determining the influence of newly available Spitzer/IRAC infrared data on the analysis. Based on the results, we probe the mass assembly history of the universe. Methods: We use the GOODS-MUSIC catalog, which provides multiband photometry from the U-filter to the 8 μm Spitzer band for almost 15 000 galaxies with either spectroscopic (for ≈7% of the sample) or photometric redshifts, and apply a standard model fitting technique to estimate stellar masses. We than repeat our calculations with fixed photometric redshifts excluding Spitzer photometry and directly compare the outcomes to look for systematic deviations. Finally we use our results to compute stellar mass functions and mass densities up to redshift z = 5. Results: We find that stellar masses tend to be overestimated on average if further constraining Spitzer data are not included into the analysis. Whilst this trend is small up to intermediate redshifts z ⪉ 2.5 and falls within the typical error in mass, the deviation increases strongly for higher redshifts and reaches a maximum of a factor of three at redshift z ≈ 3.5. Thus, up to intermediate redshifts, results for stellar mass density are in good agreement with values taken from literature calculated without additional Spitzer photometry. At higher redshifts, however, we find a systematic trend towards lower mass densities if Spitzer/IRAC data are included.

  16. Body shape indices are predictors for estimating fat-free mass in male athletes

    Science.gov (United States)

    Aoki, Toru; Komori, Daisuke; Oyamada, Kazuyuki; Murata, Kensuke; Fujita, Eiji; Akamine, Takuya; Urita, Yoshihisa; Yamamoto, Masayoshi

    2018-01-01

    It is unknown whether body size and body shape parameters can be predictors for estimating whole body fat-free mass (FFM) in male athletes. This study aimed to investigate whether body size and shape variables can be predictors for FFM in male athletes. Using a whole-body dual-energy X-ray absorptiometry scanner, whole body fat mass (FM) and FFM were determined in 132 male athletes and 14 sedentary males. The sample was divided into two groups: validation (N = 98) and cross-validation (N = 48) groups. Body height (BH), body mass (BM), and waist circumference at immediately above the iliac crest (W) were measured. BM-to-W and W-to-BH ratios were calculated as indices of body shapes. Stepwise multiple regression analysis revealed that BM/W and W/BH were selected as explainable variables for predicting FFM. The equation developed in the validation group was FFM (kg) = 0.883 × BM/W (kg/m) + 43.674 × W/BH (cm/cm)– 41.480 [R2 = 0.900, SEE (%SEE) = 2.3 kg (3.8%)], which was validated in the cross-validation group. Thus, the current results demonstrate that an equation using BM/W and W/BH as independent variables is applicable for predicting FFM in male athletes. PMID:29346452

  17. A spatial estimation model for continuous rock mass characterization from the specific energy of a TBM

    Science.gov (United States)

    Exadaktylos, G.; Stavropoulou, M.; Xiroudakis, G.; de Broissia, M.; Schwarz, H.

    2008-12-01

    Basic principles of the theory of rock cutting with rolling disc cutters are used to appropriately reduce tunnel boring machine (TBM) logged data and compute the specific energy (SE) of rock cutting as a function of geometry of the cutterhead and operational parameters. A computational code written in Fortran 77 is used to perform Kriging predictions in a regular or irregular grid in 1D, 2D or 3D space based on sampled data referring to rock mass classification indices or TBM related parameters. This code is used here for three purposes, namely: (1) to filter raw data in order to establish a good correlation between SE and rock mass rating (RMR) (or tunnelling quality index Q) along the chainage of the tunnel, (2) to make prediction of RMR, Q or SE along the chainage of the tunnel from boreholes at the exploration phase and design stage of the tunnel, and (3) to make predictions of SE and RMR or Q ahead of the tunnel’s face during excavation of the tunnel based on SE estimations during excavation. The above tools are the basic constituents of an algorithm to continuously update the geotechnical model of the rock mass based on logged TBM data. Several cases were considered to illustrate the proposed methodology, namely: (a) data from a system of twin tunnels in Hong Kong, (b) data from three tunnels excavated in Northern Italy, and (c) data from the section Singuerlin-Esglesias of the Metro L9 tunnel in Barcelona.

  18. Diagnostic ultrasound estimates of muscle mass and muscle quality discriminate between women with and without sarcopenia

    Directory of Open Access Journals (Sweden)

    Catheeja eIsmail

    2015-10-01

    Full Text Available Introduction: Age-related changes in muscle mass and muscle tissue composition contribute to diminished strength in older adults. The objectives of this study are to examine if an assessment method using mobile diagnostic ultrasound augments well-known determinants of lean body mass (LBM to aid sarcopenia staging, and if a sonographic measure of muscle quality is associated with muscle performance.Methods: Twenty community-dwelling female subjects participated in the study (age = 43.4 ±20.9 years; BMI: 23.8, interquartile range: 8.5. Dual energy X-ray absorptiometry (DXA and diagnostic ultrasound morphometry were used to estimate LBM. Muscle tissue quality was estimated via the echogenicity using grayscale histogram analysis. Peak force was measured with grip dynamometry and scaled for body size. Bivariate and multiple regression analyses were used to determine the association of the predictor variables with appendicular lean mass (aLM/ht2, and examine the relationship between scaled peak force values and muscle echogenicity. The sarcopenia LBM cut point value of 6.75 kg/m2 determined participant assignment into the Normal LBM and Low LBM subgroups.Results: The selected LBM predictor variables were body mass index (BMI, ultrasound morphometry, and age. Although BMI exhibited a significant positive relationship with aLM/ht2 (adj. R2 = .61, p < .001, the strength of association improved with the addition of ultrasound morphometry and age as predictor variables (adj. R2 = .85, p < .001. Scaled peak force was associated with age and echogenicity (adj. R2 = .53, p < .001, but not LBM. The Low LBM subgroup of women (n = 10 had higher scaled peak force, lower BMI, and lower echogenicity values in comparison to the Normal LBM subgroup (n = 10; p < .05.Conclusions: Diagnostic ultrasound morphometry values are associated with LBM, and improve the BMI predictive model for aLM/ht2 in women. In addition, ultrasound proxy measures of muscle quality are more

  19. The SAMI Galaxy Survey: a new method to estimate molecular gas surface densities from star formation rates

    Science.gov (United States)

    Federrath, Christoph; Salim, Diane M.; Medling, Anne M.; Davies, Rebecca L.; Yuan, Tiantian; Bian, Fuyan; Groves, Brent A.; Ho, I.-Ting; Sharp, Robert; Kewley, Lisa J.; Sweet, Sarah M.; Richards, Samuel N.; Bryant, Julia J.; Brough, Sarah; Croom, Scott; Scott, Nicholas; Lawrence, Jon; Konstantopoulos, Iraklis; Goodwin, Michael

    2017-07-01

    Stars form in cold molecular clouds. However, molecular gas is difficult to observe because the most abundant molecule (H2) lacks a permanent dipole moment. Rotational transitions of CO are often used as a tracer of H2, but CO is much less abundant and the conversion from CO intensity to H2 mass is often highly uncertain. Here we present a new method for estimating the column density of cold molecular gas (Σgas) using optical spectroscopy. We utilize the spatially resolved Hα maps of flux and velocity dispersion from the Sydney-AAO Multi-object Integral field spectrograph (SAMI) Galaxy Survey. We derive maps of Σgas by inverting the multi-freefall star formation relation, which connects the star formation rate surface density (ΣSFR) with Σgas and the turbulent Mach number (M). Based on the measured range of ΣSFR = 0.005-1.5 {M_{⊙} yr^{-1} kpc^{-2}} and M=18-130, we predict Σgas = 7-200 {M_{⊙} pc^{-2}} in the star-forming regions of our sample of 260 SAMI galaxies. These values are close to previously measured Σgas obtained directly with unresolved CO observations of similar galaxies at low redshift. We classify each galaxy in our sample as 'star-forming' (219) or 'composite/AGN/shock' (41), and find that in 'composite/AGN/shock' galaxies the average ΣSFR, M and Σgas are enhanced by factors of 2.0, 1.6 and 1.3, respectively, compared to star-forming galaxies. We compare our predictions of Σgas with those obtained by inverting the Kennicutt-Schmidt relation and find that our new method is a factor of 2 more accurate in predicting Σgas, with an average deviation of 32 per cent from the actual Σgas.

  20. Estimating single molecule conductance from spontaneous evolution of a molecular contact

    Science.gov (United States)

    Gil, M.; Malinowski, T.; Iazykov, M.; Klein, H. R.

    2018-03-01

    We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction operated at room temperature in the liquid. We record the conductance through the metal/molecules/metal nanocontact while keeping the metallic electrodes at a fixed distance. Taking advantage of thermal diffusion and electromigration, we let the contact naturally explore the more stable configurations around a chosen conductance value. The conductance of a single molecule is estimated from a statistical analysis of raw conductance and conductance standard deviation data for molecular contacts containing up to 14 molecules. The single molecule conductance values are interpreted as time-averaged conductance of an ensemble of conformers at thermal equilibrium.

  1. Estimation of the Waste Mass from a Pyro-Process of Spent Nuclear Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Min Soo; Choi, Jong Won; Choi, Heui Joo (and others)

    2008-04-15

    Pyro-Process is now developing to retrieve reusable uranium and TRU, and to reduce the volume of high level waste from a nuclear power plant. In this situation, it is strongly required for the estimation of expected masses and their physical properties of the wastes. In this report, the amount of wastes and their physical properties are presupposed through some assumptions in regard to 10MTHM of Oxide Fuel with 4.5wt% U-235, 45,000 MWD/MTU, and 5yrs cooling. The produced wastes can be divided into three categories such as metal, CWF(Ceramic Waste Form), and VWF(Vitrified Waste Form). The 42 nuclrides in a spent nuclear fuel are distributed into the waste categories on the their physical and thermodynamic properties when they exist in metal, oxide, or chloride forms. The treated atomic groups are Uranium, TRU, Noble metal, Rare earth, Alkali metal, Halogens, and others. The mass of each waste is estimated by the distribution results. The off-gas waste is included into a CWF. The heat generations by the wastes in this Pyro-Process are calculated using a ORIGEN-ARP program. It is possible to estimate the amounts of wastes and their heat generation rates in this Pyro-Process analysis. These information are very helpful to design a waste container and its quantity also can be determined. The number of container and its heat generation rate will be key factor for the construction of interim storage facilities including a underground disposal site.

  2. Influence of conservative corrections on parameter estimation for extreme-mass-ratio inspirals

    International Nuclear Information System (INIS)

    Huerta, E. A.; Gair, Jonathan R.

    2009-01-01

    We present an improved numerical kludge waveform model for circular, equatorial extreme-mass-ratio inspirals (EMRIs). The model is based on true Kerr geodesics, augmented by radiative self-force corrections derived from perturbative calculations, and in this paper for the first time we include conservative self-force corrections that we derive by comparison to post-Newtonian results. We present results of a Monte Carlo simulation of parameter estimation errors computed using the Fisher matrix and also assess the theoretical errors that would arise from omitting the conservative correction terms we include here. We present results for three different types of system, namely, the inspirals of black holes, neutron stars, or white dwarfs into a supermassive black hole (SMBH). The analysis shows that for a typical source (a 10M · compact object captured by a 10 6 M · SMBH at a signal to noise ratio of 30) we expect to determine the two masses to within a fractional error of ∼10 -4 , measure the spin parameter q to ∼10 -4.5 , and determine the location of the source on the sky and the spin orientation to within 10 -3 steradians. We show that, for this kludge model, omitting the conservative corrections leads to a small error over much of the parameter space, i.e., the ratio R of the theoretical model error to the Fisher matrix error is R<1 for all ten parameters in the model. For the few systems with larger errors typically R<3 and hence the conservative corrections can be marginally ignored. In addition, we use our model and first-order self-force results for Schwarzschild black holes to estimate the error that arises from omitting the second-order radiative piece of the self-force. This indicates that it may not be necessary to go beyond first order to recover accurate parameter estimates.

  3. Investigation of naproxen drug using mass spectrometry, thermal analyses and semi-empirical molecular orbital calculation

    Directory of Open Access Journals (Sweden)

    M.A. Zayed

    2017-03-01

    Full Text Available Naproxen (C14H14O3 is a non-steroidal anti-inflammatory drug (NSAID. It is important to investigate its structure to know the active groups and weak bonds responsible for medical activity. In the present study, naproxen was investigated by mass spectrometry (MS, thermal analysis (TA measurements (TG/DTG and DTA and confirmed by semi empirical molecular orbital (MO calculation, using PM3 procedure. These calculations included, bond length, bond order, bond strain, partial charge distribution, ionization energy and heat of formation (ΔHf. The mass spectra and thermal analysis fragmentation pathways were proposed and compared to select the most suitable scheme representing the correct fragmentation pathway of the drug in both techniques. The PM3 procedure reveals that the primary cleavage site of the charged molecule is the rupture of the COOH group (lowest bond order and high strain which followed by CH3 loss of the methoxy group. Thermal analysis of the neutral drug reveals a high response to the temperature variation with very fast rate. It decomposed in several sequential steps in the temperature range 80–400 °C. These mass losses appear as two endothermic and one exothermic peaks which required energy values of 255.42, 10.67 and 371.49 J g−1 respectively. The initial thermal ruptures are similar to that obtained by mass spectral fragmentation (COOH rupture. It was followed by the loss of the methyl group and finally by ethylene loss. Therefore, comparison between MS and TA helps in selection of the proper pathway representing its fragmentation. This comparison is successfully confirmed by MO-calculation.

  4. The atomic and molecular content of disks around very low-mass stars and brown dwarfs

    Energy Technology Data Exchange (ETDEWEB)

    Pascucci, I. [Lunar and Planetary Laboratory, The University of Arizona, Tucson, AZ 85721 (United States); Herczeg, G. [Kavli Institute for Astronomy and Astrophysics, Peking University, Beijing 100871 (China); Carr, J. S. [Naval Research Laboratory, Code 7211, Washington, DC 20375 (United States); Bruderer, S., E-mail: pascucci@lpl.arizona.edu [Max Planck Institute for Extraterrestrial Physics, Giessenbachstrasse 1, D-85748 Garching (Germany)

    2013-12-20

    There is growing observational evidence that disk evolution is stellar-mass-dependent. Here, we show that these dependencies extend to the atomic and molecular content of disk atmospheres. We analyze a unique dataset of high-resolution Spitzer/IRS spectra from eight very low mass star and brown dwarf disks. We report the first detections of Ne{sup +}, H{sub 2}, CO{sub 2}, and tentative detections of H{sub 2}O toward these faint and low-mass disks. Two of our [Ne II] 12.81 μm emission lines likely trace the hot (≥5000 K) disk surface irradiated by X-ray photons from the central stellar/sub-stellar object. The H{sub 2} S(2) and S(1) fluxes are consistent with arising below the fully or partially ionized surface traced by the [Ne II] emission in gas at ∼600 K. We confirm the higher C{sub 2}H{sub 2}/HCN flux and column density ratio in brown dwarf disks previously noted from low-resolution IRS spectra. Our high-resolution spectra also show that the HCN/H{sub 2}O fluxes of brown dwarf disks are on average higher than those of T Tauri disks. Our LTE modeling hints that this difference extends to column density ratios if H{sub 2}O lines trace warm ≥600 K disk gas. These trends suggest that the inner regions of brown dwarf disks have a lower O/C ratio than those of T Tauri disks, which may result from a more efficient formation of non-migrating icy planetesimals. An O/C = 1, as inferred from our analysis, would have profound implications on the bulk composition of rocky planets that can form around very low mass stars and brown dwarfs.

  5. Novel equations to estimate lean body mass in maintenance hemodialysis patients.

    Science.gov (United States)

    Noori, Nazanin; Kovesdy, Csaba P; Bross, Rachelle; Lee, Martin; Oreopoulos, Antigone; Benner, Deborah; Mehrotra, Rajnish; Kopple, Joel D; Kalantar-Zadeh, Kamyar

    2011-01-01

    Lean body mass (LBM) is an important nutritional measure representing muscle mass and somatic protein in hemodialysis patients, for whom we developed and tested equations to estimate LBM. A study of diagnostic test accuracy. The development cohort included 118 hemodialysis patients with LBM measured using dual-energy x-ray absorptiometry (DEXA) and near-infrared (NIR) interactance. The validation cohort included 612 additional hemodialysis patients with LBM measured using a portable NIR interactance technique during hemodialysis. 3-month averaged serum concentrations of creatinine, albumin, and prealbumin; normalized protein nitrogen appearance; midarm muscle circumference (MAMC); handgrip strength; and subjective global assessment of nutrition. LBM measured using DEXA in the development cohort and NIR interactance in validation cohorts. In the development cohort, DEXA and NIR interactance correlated strongly (r = 0.94, P < 0.001). DEXA-measured LBM correlated with serum creatinine level, MAMC, and handgrip strength, but not with other nutritional markers. Three regression equations to estimate DEXA-measured LBM were developed based on each of these 3 surrogates and sex, height, weight, and age (and urea reduction ratio for the serum creatinine regression). In the validation cohort, the validity of the equations was tested against the NIR interactance-measured LBM. The equation estimates correlated well with NIR interactance-measured LBM (R² ≥ 0.88), although in higher LBM ranges, they tended to underestimate it. Median (95% confidence interval) differences and interquartile range for differences between equation estimates and NIR interactance-measured LBM were 3.4 (-3.2 to 12.0) and 3.0 (1.1-5.1) kg for serum creatinine and 4.0 (-2.6 to 13.6) and 3.7 (1.3-6.0) kg for MAMC, respectively. DEXA measurements were obtained on a nondialysis day, whereas NIR interactance was performed during hemodialysis treatment, with the likelihood of confounding by volume status

  6. Validity of Bioelectrical Impedance Analysis to Estimation Fat-Free Mass in the Army Cadets.

    Science.gov (United States)

    Langer, Raquel D; Borges, Juliano H; Pascoa, Mauro A; Cirolini, Vagner X; Guerra-Júnior, Gil; Gonçalves, Ezequiel M

    2016-03-11

    Bioelectrical Impedance Analysis (BIA) is a fast, practical, non-invasive, and frequently used method for fat-free mass (FFM) estimation. The aims of this study were to validate predictive equations of BIA to FFM estimation in Army cadets and to develop and validate a specific BIA equation for this population. A total of 396 males, Brazilian Army cadets, aged 17-24 years were included. The study used eight published predictive BIA equations, a specific equation in FFM estimation, and dual-energy X-ray absorptiometry (DXA) as a reference method. Student's t-test (for paired sample), linear regression analysis, and Bland-Altman method were used to test the validity of the BIA equations. Predictive BIA equations showed significant differences in FFM compared to DXA (p FFM variance. Specific BIA equations showed no significant differences in FFM, compared to DXA values. Published BIA predictive equations showed poor accuracy in this sample. The specific BIA equations, developed in this study, demonstrated validity for this sample, although should be used with caution in samples with a large range of FFM.

  7. Thermal Protection System Mass Estimating Relationships For Blunt-Body, Earth Entry Spacecraft

    Science.gov (United States)

    Sepka, Steven A.; Samareh, Jamshid A.

    2015-01-01

    Mass estimating relationships (MERs) are developed to predict the amount of thermal protection system (TPS) necessary for safe Earth entry for blunt-body spacecraft using simple correlations that are non-ITAR and closely match estimates from NASA's highfidelity ablation modeling tool, the Fully Implicit Ablation and Thermal Analysis Program (FIAT). These MERs provide a first order estimate for rapid feasibility studies. There are 840 different trajectories considered in this study, and each TPS MER has a peak heating limit. MERs for the vehicle forebody include the ablators Phenolic Impregnated Carbon Ablator (PICA) and Carbon Phenolic atop Advanced Carbon-Carbon. For the aftbody, the materials are Silicone Impregnated Reusable Ceramic Ablator (SIRCA), Acusil II, SLA- 561V, and LI-900. The MERs are accurate to within 14% (at one standard deviation) of FIAT prediction, and the most any MER can under predict FIAT TPS thickness is 18.7%. This work focuses on the development of these MERs, the resulting equations, model limitations, and model accuracy.

  8. Validity of Bioelectrical Impedance Analysis to Estimation Fat-Free Mass in the Army Cadets

    Directory of Open Access Journals (Sweden)

    Raquel D. Langer

    2016-03-01

    Full Text Available Background: Bioelectrical Impedance Analysis (BIA is a fast, practical, non-invasive, and frequently used method for fat-free mass (FFM estimation. The aims of this study were to validate predictive equations of BIA to FFM estimation in Army cadets and to develop and validate a specific BIA equation for this population. Methods: A total of 396 males, Brazilian Army cadets, aged 17–24 years were included. The study used eight published predictive BIA equations, a specific equation in FFM estimation, and dual-energy X-ray absorptiometry (DXA as a reference method. Student’s t-test (for paired sample, linear regression analysis, and Bland–Altman method were used to test the validity of the BIA equations. Results: Predictive BIA equations showed significant differences in FFM compared to DXA (p < 0.05 and large limits of agreement by Bland–Altman. Predictive BIA equations explained 68% to 88% of FFM variance. Specific BIA equations showed no significant differences in FFM, compared to DXA values. Conclusion: Published BIA predictive equations showed poor accuracy in this sample. The specific BIA equations, developed in this study, demonstrated validity for this sample, although should be used with caution in samples with a large range of FFM.

  9. Pinsker estimators for local helioseismology: inversion of travel times for mass-conserving flows

    International Nuclear Information System (INIS)

    Fournier, Damien; Holzke, Martin; Hohage, Thorsten; Gizon, Laurent

    2016-01-01

    A major goal of helioseismology is the three-dimensional reconstruction of the three velocity components of convective flows in the solar interior from sets of wave travel-time measurements. For small amplitude flows, the forward problem is described in good approximation by a large system of convolution equations. The input observations are highly noisy random vectors with a known dense covariance matrix. This leads to a large statistical linear inverse problem. Whereas for deterministic linear inverse problems several computationally efficient minimax optimal regularization methods exist, only one minimax-optimal linear estimator exists for statistical linear inverse problems: the Pinsker estimator. However, it is often computationally inefficient because it requires a singular value decomposition of the forward operator or it is not applicable because of an unknown noise covariance matrix, so it is rarely used for real-world problems. These limitations do not apply in helioseismology. We present a simplified proof of the optimality properties of the Pinsker estimator and show that it yields significantly better reconstructions than traditional inversion methods used in helioseismology, i.e. regularized least squares (Tikhonov regularization) and SOLA (approximate inverse) methods. Moreover, we discuss the incorporation of the mass conservation constraint in the Pinsker scheme using staggered grids. With this improvement we can reconstruct not only horizontal, but also vertical velocity components that are much smaller in amplitude. (paper)

  10. Reconnaissance Estimates of Recharge Based on an Elevation-dependent Chloride Mass-balance Approach

    Energy Technology Data Exchange (ETDEWEB)

    Charles E. Russell; Tim Minor

    2002-08-31

    Significant uncertainty is associated with efforts to quantity recharge in arid regions such as southern Nevada. However, accurate estimates of groundwater recharge are necessary to understanding the long-term sustainability of groundwater resources and predictions of groundwater flow rates and directions. Currently, the most widely accepted method for estimating recharge in southern Nevada is the Maxey and Eakin method. This method has been applied to most basins within Nevada and has been independently verified as a reconnaissance-level estimate of recharge through several studies. Recharge estimates derived from the Maxey and Eakin and other recharge methodologies ultimately based upon measures or estimates of groundwater discharge (outflow methods) should be augmented by a tracer-based aquifer-response method. The objective of this study was to improve an existing aquifer-response method that was based on the chloride mass-balance approach. Improvements were designed to incorporate spatial variability within recharge areas (rather than recharge as a lumped parameter), develop a more defendable lower limit of recharge, and differentiate local recharge from recharge emanating as interbasin flux. Seventeen springs, located in the Sheep Range, Spring Mountains, and on the Nevada Test Site were sampled during the course of this study and their discharge was measured. The chloride and bromide concentrations of the springs were determined. Discharge and chloride concentrations from these springs were compared to estimates provided by previously published reports. A literature search yielded previously published estimates of chloride flux to the land surface. {sup 36}Cl/Cl ratios and discharge rates of the three largest springs in the Amargosa Springs discharge area were compiled from various sources. This information was utilized to determine an effective chloride concentration for recharging precipitation and its associated uncertainty via Monte Carlo simulations

  11. Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Nils [Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551 (United States); Cool, Terrill A. [School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853 (United States); Westmoreland, Phillip R. [Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01003 (United States); Kohse-Hoeinghaus, Katharina [Department of Chemistry, Bielefeld University, D-33615 Bielefeld (Germany)

    2009-04-15

    Flame-sampling molecular-beam mass spectrometry of premixed, laminar, low-pressure flat flames has been demonstrated to be an efficient tool to study combustion chemistry. In this technique, flame gases are sampled through a small opening in a quartz probe, and after formation of a molecular beam, all flame species are separated using mass spectrometry. The present review focuses on critical aspects of the experimental approach including probe sampling effects, different ionization processes, and mass separation procedures. The capability for isomer-resolved flame species measurements, achievable by employing tunable vacuum-ultraviolet radiation for single-photon ionization, has greatly benefited flame-sampling molecular-beam mass spectrometry. This review also offers an overview of recent combustion chemistry studies of flames fueled by hydrocarbons and oxygenates. The identity of a variety of intermediates in hydrocarbon flames, including resonantly stabilized radicals and closed-shell intermediates, is described, thus establishing a more detailed understanding of the fundamentals of molecular-weight growth processes. Finally, molecular-beam mass-spectrometric studies of reaction paths in flames of alcohols, ethers, and esters, which have been performed to support the development and validation of kinetic models for bio-derived alternative fuels, are reviewed. (author)

  12. Estimation of volume and mass and of changes in volume and mass of selected chat piles in the Picher mining district, Ottawa County, Oklahoma, 2005-10

    Science.gov (United States)

    Smith, S. Jerrod

    2013-01-01

    From the 1890s through the 1970s the Picher mining district in northeastern Ottawa County, Oklahoma, was the site of mining and processing of lead and zinc ore. When mining ceased in about 1979, as much as 165–300 million tons of mine tailings, locally referred to as “chat,” remained in the Picher mining district. Since 1979, some chat piles have been mined for aggregate materials and have decreased in volume and mass. Currently (2013), the land surface in the Picher mining district is covered by thousands of acres of chat, much of which remains on Indian trust land owned by allottees. The Bureau of Indian Affairs manages these allotted lands and oversees the sale and removal of chat from these properties. To help the Bureau of Indian Affairs better manage the sale and removal of chat, the U.S. Geological Survey, in cooperation with the Bureau of Indian Affairs, estimated the 2005 and 2010 volumes and masses of selected chat piles remaining on allotted lands in the Picher mining district. The U.S. Geological Survey also estimated the changes in volume and mass of these chat piles for the period 2005 through 2010. The 2005 and 2010 chat-pile volume and mass estimates were computed for 34 selected chat piles on 16 properties in the study area. All computations of volume and mass were performed on individual chat piles and on groups of chat piles in the same property. The Sooner property had the greatest estimated volume (4.644 million cubic yards) and mass (5.253 ± 0.473 million tons) of chat in 2010. Five of the selected properties (Sooner, Western, Lawyers, Skelton, and St. Joe) contained estimated chat volumes exceeding 1 million cubic yards and estimated chat masses exceeding 1 million tons in 2010. Four of the selected properties (Lucky Bill Humbah, Ta Mee Heh, Bird Dog, and St. Louis No. 6) contained estimated chat volumes of less than 0.1 million cubic yards and estimated chat masses of less than 0.1 million tons in 2010. The total volume of all

  13. Heterogeneous Rates of Molecular Evolution and Diversification Could Explain the Triassic Age Estimate for Angiosperms.

    Science.gov (United States)

    Beaulieu, Jeremy M; O'Meara, Brian C; Crane, Peter; Donoghue, Michael J

    2015-09-01

    Dating analyses based on molecular data imply that crown angiosperms existed in the Triassic, long before their undisputed appearance in the fossil record in the Early Cretaceous. Following a re-analysis of the age of angiosperms using updated sequences and fossil calibrations, we use a series of simulations to explore the possibility that the older age estimates are a consequence of (i) major shifts in the rate of sequence evolution near the base of the angiosperms and/or (ii) the representative taxon sampling strategy employed in such studies. We show that both of these factors do tend to yield substantially older age estimates. These analyses do not prove that younger age estimates based on the fossil record are correct, but they do suggest caution in accepting the older age estimates obtained using current relaxed-clock methods. Although we have focused here on the angiosperms, we suspect that these results will shed light on dating discrepancies in other major clades. ©The Author(s) 2015. Published by Oxford University Press, on behalf of the Society of Systematic Biologists. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  14. The role of carbohydrates in the radioimmunoassay of human low-molecular-mass kininogen

    International Nuclear Information System (INIS)

    Turpeinen, U.; Kaerkkaeinen, T.

    1985-01-01

    The immunoreactivity of human low-molecular-mass kininogen from Cohn plasma fraction IV was investigated after deglycosylations and carbohydrate modifications by radioimmunoassay using the conformation-specific antiserum. Removal of all sialic acids, 44% of amino sugars and 63% of neutral sugars did not alter the immunoreactivity of the protein but the periodate-treated concanavalin A fractions showed strikingly diminished immunoreactivity. A conformational change could account for the observed effect of periodate on the decreased reactivity of the protein in radioimmunoassay. Externally added carbohydrates had no effect on immunoreactivity. The results suggest that the carbohydrate part of kininogen is not involved in the immunoreactivity although it accounts for the observed lectin-binding heterogeneity. (Auth.)

  15. Ion-induced molecular emission of polymers: analytical potentialities of FTIR and mass spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Picq, V.; Balanzat, E. E-mail: balanzat@ganil.fr

    1999-05-02

    The release of small gaseous molecules is a general phenomenon of irradiated polymers. Polyethylene (PE), polypropylene (PP) and polybutene (PB) were irradiated with ions of different electronic stopping power. We show that the gas emission can provide important information on the damage process if a reliable chemical identification of the molecules released and accurate yield values are obtained. The outgassing products were analysed by two techniques: (1) by a novel set-up using a Fourier Transform Infrared (FTIR) analysis of the gas mixture released from the polymer film and (2) by residual gas analysis (RGA) with a quadrupole mass spectrometer. Comparing the analytical potentialities of both methods we come to the conclusion that the FTIR method gives a more straightforward and accurate determination of the chemical nature and of the yield of most of the released molecules. However, RGA provides complementary information on the gas release kinetics and also on the release of heavy hydrocarbon molecules and symmetric molecules like molecular hydrogen.

  16. Molecular identification of Mucorales in human tissues: contribution of PCR electrospray-ionization mass spectrometry.

    Science.gov (United States)

    Alanio, A; Garcia-Hermoso, D; Mercier-Delarue, S; Lanternier, F; Gits-Muselli, M; Menotti, J; Denis, B; Bergeron, A; Legrand, M; Lortholary, O; Bretagne, S

    2015-06-01

    Molecular methods are crucial for mucormycosis diagnosis because cultures are frequently negative, even if microscopy suggests the presence of hyphae in tissues. We assessed PCR/electrospray-ionization mass spectrometry (PCR/ESI-MS) for Mucorales identification in 19 unfixed tissue samples from 13 patients with proven or probable mucormycosis and compared the results with culture, quantitative real-time PCR, 16S-23S rRNA gene internal transcribed spacer region (ITS PCR) and 18S PCR sequencing. Concordance with culture identification to both genus and species levels was higher for PCR/ESI-MS than for the other techniques. Thus, PCR/ESI-MS is suitable for Mucorales identification, within 6 hours, for tissue samples for which microscopy results suggest the presence of hyphae. Copyright © 2015 European Society of Clinical Microbiology and Infectious Diseases. Published by Elsevier Ltd. All rights reserved.

  17. Estimating thermodynamic properties by molecular dynamics simulations: The properties of fluids at high pressures and temperatures

    International Nuclear Information System (INIS)

    Fraser, D.G.; Refson, K.

    1992-01-01

    The molecular dynamics calculations reported above give calculated P-V-T properties for H 2 O up to 1500 K and 100 GPa, which agree remarkably well with the available experimental data. We also observe the phase transition to a crystalline, orientationally disordered cubic ice structure. No account was taken of molecular flexibility in these calculations nor of potential dissociation at high pressures as suggested by Hamman (1981). However, we note that the closest next-nearest-neighbour O-H approach remains significantly greater than the TIP4P fixed O-H bond length within the water molecule for all pressures studied. The equation of state proposed here should be useful for estimating the properties of H 2 O at up to 1500 K and 100 G Pa (1 Mbar) and is much easier to use in practice than modified Redlich Kwong equations. Extension of these methods to the studies of other fluids and of fluid mixtures at high temperatures and pressures will require good potential models for the species involved, and this is likely to involve a combination of good ab initio work and semiempirical modelling. Once developed, these models should allow robust predictions of thermodynamic properties beyond the range of the experimental data on the basis of fundamental molecular information

  18. Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

    Science.gov (United States)

    Ge, Zhenpeng; Wang, Yi

    2017-04-20

    Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

  19. In vivo comparison of various polymeric and low molecular mass inhibitors of intestinal P-glycoprotein.

    Science.gov (United States)

    Föger, Florian; Hoyer, Herbert; Kafedjiiski, Krum; Thaurer, Michael; Bernkop-Schnürch, Andreas

    2006-12-01

    Several polymers have been reported to modulate drug absorption by inhibition of intestinal P-glycoprotein (P-gp). The aim of the present study was to provide a direct in vivo comparison of delivery systems based on Pluronic P85, Myrj 52 and chitosan-4-thiobutylamidine (Ch-TBA) in vivo in rats, using rhodamine-123 (Rho-123) as representative P-gp substrate. Furthermore, the postulated low molecular mass P-gp inhibitors 6-mercaptopurine and reduced glutathione (GSH) were evaluated in vitro and in vivo. In vitro, the permeation enhancing effect of 6-mercaptopurine, GSH, Pluronic P85, Myrj 52, and the combination of Ch-TBA with GSH was evaluated by using freshly excised rat intestinal mucosa mounted in Ussing-type diffusion chambers. In comparison to buffer only, Rho-123 transport in presence of 100 microm 6-mercaptopurine, 0.5% (w/v) GSH, 0.5% (w/v) Pluronic P85, 0.5% (w/v) Myrj 52 and the combination of 0.5% (w/v) Ch-TBA/ 0.5% (w/v) GSH, was 2.1, 1.6, 1.9, 1.8, 3.0-fold improved, respectively. In vivo in rat, enteric-coated tablets based on Pluronic P85, Myrj 52 or Ch-TBA/GSH increased the area under the plasma concentration time curve (AUC(0-12)) of Rho-123 1.6-fold, 2.4-fold, 4.3-fold, respectively, in comparison to control only. Contrariwise, the low molecular mass excipients 6-mercaptopurine and GSH showed no significant effect in vivo at all. This in vivo study showed that polymeric P-gp inhibitors and especially the delivery system based on thiolated chitosan significantly increased the oral bioavailability of P-gp substrate Rho-123.

  20. A Method for Estimating Mass-Transfer Coefficients in a Biofilter from Membrane Inlet Mass Spectrometer Data

    DEFF Research Database (Denmark)

    Nielsen, Anders Michael; Nielsen, Lars Peter; Feilberg, Anders

    2009-01-01

    A membrane inlet mass spectrometer (MIMS) was used in combination with a developed computer model to study and improve management of a biofilter (BF) treating malodorous ventilation air from a meat rendering facility. The MIMS was used to determine percentage removal efficiencies (REs) of selected...... sulfur gases and to provide toluene retention profiles for the model to determine the air velocity and overall mass-transfer coefficient of toluene. The mass-transfer coefficient of toluene was used as a reference for determining the mass transfer of sulfur gases. By presenting the model to scenarios...... of a filter bed with a consortium of effective sulfur oxidizers, the most likely mechanism for incomplete removal of sulfur compounds from the exhaust air was elucidated. This was found to be insufficient mass transfer and not inadequate bacterial activity as anticipated by the manager of the BF. Thus...

  1. Comprehensive Analysis of Low-Molecular-Weight Human Plasma Proteome Using Top-Down Mass Spectrometry.

    Science.gov (United States)

    Cheon, Dong Huey; Nam, Eun Ji; Park, Kyu Hyung; Woo, Se Joon; Lee, Hye Jin; Kim, Hee Cheol; Yang, Eun Gyeong; Lee, Cheolju; Lee, Ji Eun

    2016-01-04

    While human plasma serves as a great source for disease diagnosis, low-molecular-weight (LMW) proteome (mass spectrometry to analyze the LMW proteoforms present in four types of human plasma samples pooled from three healthy controls (HCs) without immunoaffinity depletion and with depletion of the top two, six, and seven high-abundance proteins. The LMW proteoforms were first fractionated based on molecular weight using gel-eluted liquid fraction entrapment electrophoresis (GELFrEE). Then, the GELFrEE fractions containing up to 30 kDa were subjected to nanocapillary-LC-MS/MS, and the high-resolution MS and MS/MS data were processed using ProSightPC 3.0. As a result, a total of 442 LMW proteins and cleaved products, including those with post-translational modifications and single amino acid variations, were identified. From additional comparative analysis of plasma samples without immunoaffinity depletion between HCs and colorectal cancer (CRC) patients via top-down approach, tens of LMW proteoforms, including platelet factor 4, were found to show >1.5-fold changes between the plasma samples of HCs and CRC patients, and six of the LMW proteins were verified by Western blot analysis.

  2. Nitrogen losses from dairy manure estimated through nitrogen mass balance and chemical markers

    Science.gov (United States)

    Hristov, Alexander N.; Zaman, S.; Vander Pol, M.; Ndegwa, P.; Campbell, L.; Silva, S.

    2009-01-01

    Ammonia is an important air and water pollutant, but the spatial variation in its concentrations presents technical difficulties in accurate determination of ammonia emissions from animal feeding operations. The objectives of this study were to investigate the relationship between ammonia volatilization and ??15N of dairy manure and the feasibility of estimating ammonia losses from a dairy facility using chemical markers. In Exp. 1, the N/P ratio in manure decreased by 30% in 14 d as cumulative ammonia losses increased exponentially. Delta 15N of manure increased throughout the course of the experiment and ??15N of emitted ammonia increased (p < 0.001) quadratically from -31??? to -15 ???. The relationship between cumulative ammonia losses and ??15N of manure was highly significant (p < 0.001; r2 = 0.76). In Exp. 2, using a mass balance approach, approximately half of the N excreted by dairy cows (Bos taurus) could not be accounted for in 24 h. Using N/P and N/K ratios in fresh and 24-h manure, an estimated 0.55 and 0.34 (respectively) of the N excreted with feces and urine could not be accounted for. This study demonstrated that chemical markers (P, K) can be successfully used to estimate ammonia losses from cattle manure. The relationship between manure ??15N and cumulative ammonia loss may also be useful for estimating ammonia losses. Although promising, the latter approach needs to be further studied and verified in various experimental conditions and in the field. Copyright ?? 2009 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

  3. Incorrectly Interpreting the Carbon Mass Balance Technique Leads to Biased Emissions Estimates from Global Vegetation Fires

    Science.gov (United States)

    Surawski, N. C.; Sullivan, A. L.; Roxburgh, S. H.; Meyer, M.; Polglase, P. J.

    2016-12-01

    Vegetation fires are a complex phenomenon and have a range of global impacts including influences on climate. Even though fire is a necessary disturbance for the maintenance of some ecosystems, a range of anthropogenically deleterious consequences are associated with it, such as damage to assets and infrastructure, loss of life, as well as degradation to air quality leading to negative impacts on human health. Estimating carbon emissions from fire relies on a carbon mass balance technique which has evolved with two different interpretations in the fire emissions community. Databases reporting global fire emissions estimates use an approach based on `consumed biomass' which is an approximation to the biogeochemically correct `burnt carbon' approach. Disagreement between the two methods occurs because the `consumed biomass' accounting technique assumes that all burnt carbon is volatilized and emitted. By undertaking a global review of the fraction of burnt carbon emitted to the atmosphere, we show that the `consumed biomass' accounting approach overestimates global carbon emissions by 4.0%, or 100 Teragrams, annually. The required correction is significant and represents 9% of the net global forest carbon sink estimated annually. To correctly partition burnt carbon between that emitted to the atmosphere and that remaining as a post-fire residue requires the post-burn carbon content to be estimated, which is quite often not undertaken in atmospheric emissions studies. To broaden our understanding of ecosystem carbon fluxes, it is recommended that the change in carbon content associated with burnt residues be accounted for. Apart from correctly partitioning burnt carbon between the emitted and residue pools, it enables an accounting approach which can assess the efficacy of fire management operations targeted at sequestering carbon from fire. These findings are particularly relevant for the second commitment period for the Kyoto protocol, since improved landscape fire

  4. The current contribution of molecular factors to risk estimation in neuroblastoma patients.

    Science.gov (United States)

    Berthold, F; Sahin, K; Hero, B; Christiansen, H; Gehring, M; Harms, D; Horz, S; Lampert, F; Schwab, M; Terpe, J

    1997-10-01

    The association of molecular characteristics with prognosis has been reported, but not their relationship with each other and their impact in the context of known clinical risk factors. In this study, data of 1249 consecutive intent-to-treat-neuroblastoma patients with more than 1 year follow-up were examined by multivariate analysis using loglinear and Cox proportional hazard regression models on a stage-related basis (stages 1-3: 600, 4S: 116, 4: 533). In a first step, risk factors were identified from 18 selected clinical variables, and risk groups defined. The second step investigated whether molecular characteristics (MYCN, LOH 1p, del 1p, CD44, N-ras, NGF-R, bcl-2, APO-1 (CD95)) contributed additional prognostic information to the model. The loglinear model demonstrated several interactions between clinical factors. By the Cox regression model, seven independent clinical risk factors were found for stages 1-3, seven for stage 4 and two for stage 4S. By subsequent introduction of all molecular variables, MYCN amplification only added significant prognostic information to the clinical factors in localised and stage 4 neuroblastoma. The models allowed the definition of risk groups for stages 1-3 patients by age (e beta = 5.09) and MYCN (e beta = 4.26), for stage 4 by MYCN (e beta = 2.78) and number of symptoms (e beta = 2.44) and for stage 4S by platelet count (e beta = 3.91) and general condition (e beta = 2.99). Molecular factors and in particular MYCN contribute significantly to risk estimation. In conjunction with clinical factors, they are powerful tools to define risk groups in neuroblastoma.

  5. The FADE mass-stat: A technique for inserting or deleting particles in molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Borg, Matthew K., E-mail: matthew.borg@strath.ac.uk [Department of Mechanical and Aerospace Engineering, University of Strathclyde, Glasgow G1 1XJ (United Kingdom); Lockerby, Duncan A., E-mail: duncan.lockerby@warwick.ac.uk [School of Engineering, University of Warwick, Coventry CV4 7AL (United Kingdom); Reese, Jason M., E-mail: jason.reese@ed.ac.uk [School of Engineering, University of Edinburgh, Edinburgh EH9 3JL (United Kingdom)

    2014-02-21

    The emergence of new applications of molecular dynamics (MD) simulation calls for the development of mass-statting procedures that insert or delete particles on-the-fly. In this paper we present a new mass-stat which we term FADE, because it gradually “fades-in” (inserts) or “fades-out” (deletes) molecules over a short relaxation period within a MD simulation. FADE applies a time-weighted relaxation to the intermolecular pair forces between the inserting/deleting molecule and any neighbouring molecules. The weighting function we propose in this paper is a piece-wise polynomial that can be described entirely by two parameters: the relaxation time scale and the order of the polynomial. FADE inherently conserves overall system momentum independent of the form of the weighting function. We demonstrate various simulations of insertions of atomic argon, polyatomic TIP4P water, polymer strands, and C{sub 60} Buckminsterfullerene molecules. We propose FADE parameters and a maximum density variation per insertion-instance that restricts spurious potential energy changes entering the system within desired tolerances. We also demonstrate in this paper that FADE compares very well to an existing insertion algorithm called USHER, in terms of accuracy, insertion rate (in dense fluids), and computational efficiency. The USHER algorithm is applicable to monatomic and water molecules only, but we demonstrate that FADE can be generally applied to various forms and sizes of molecules, such as polymeric molecules of long aspect ratio, and spherical carbon fullerenes with hollow interiors.

  6. The FADE mass-stat: A technique for inserting or deleting particles in molecular dynamics simulations

    International Nuclear Information System (INIS)

    Borg, Matthew K.; Lockerby, Duncan A.; Reese, Jason M.

    2014-01-01

    The emergence of new applications of molecular dynamics (MD) simulation calls for the development of mass-statting procedures that insert or delete particles on-the-fly. In this paper we present a new mass-stat which we term FADE, because it gradually “fades-in” (inserts) or “fades-out” (deletes) molecules over a short relaxation period within a MD simulation. FADE applies a time-weighted relaxation to the intermolecular pair forces between the inserting/deleting molecule and any neighbouring molecules. The weighting function we propose in this paper is a piece-wise polynomial that can be described entirely by two parameters: the relaxation time scale and the order of the polynomial. FADE inherently conserves overall system momentum independent of the form of the weighting function. We demonstrate various simulations of insertions of atomic argon, polyatomic TIP4P water, polymer strands, and C 60 Buckminsterfullerene molecules. We propose FADE parameters and a maximum density variation per insertion-instance that restricts spurious potential energy changes entering the system within desired tolerances. We also demonstrate in this paper that FADE compares very well to an existing insertion algorithm called USHER, in terms of accuracy, insertion rate (in dense fluids), and computational efficiency. The USHER algorithm is applicable to monatomic and water molecules only, but we demonstrate that FADE can be generally applied to various forms and sizes of molecules, such as polymeric molecules of long aspect ratio, and spherical carbon fullerenes with hollow interiors

  7. Detection of Low Molecular Weight Adulterants in Beverages by Direct Analysis in Real Time Mass Spectrometry.

    Science.gov (United States)

    Sisco, Edward; Dake, Jeffrey

    2016-04-14

    Direct Analysis in Real Time Mass Spectrometry (DART-MS) has been used to detect the presence of non-narcotic adulterants in beverages. The non-narcotic adulterants that were examined in this work incorporated a number low molecular weight alcohols, acetone, ammonium hydroxide, and sodium hypochlorite. Analysis of the adulterants was completed by pipetting 1 µL deposits onto glass microcapillaries along with an appropriate dopant species followed by introduction into the DART gas stream. It was found that detection of these compounds in the complex matrices of common beverages (soda, energy drinks, etc.) was simplified through the use of a dopant species to allow for adduct formation with the desired compound(s) of interest. Other parameters that were investigated included DART gas stream temperature, in source collision induced dissociation, ion polarity, and DART needle voltage. Sensitivities of the technique were found to range from 0.001 % volume fraction to 0.1 % volume fraction, comparable to traditional analyses completed using headspace gas chromatography mass spectrometry (HS-GC/MS). Once a method was established using aqueous solutions, , fifteen beverages were spiked with each of the nine adulterants, to simulate real world detection, and in nearly all cases the adulterant could be detected either in pure form, or complexed with the added dopant species. This technique provides a rapid way to directly analyze beverages believed to be contaminated with non-narcotic adulterants at sensitivities similar to or exceeding those of traditional confirmatory analyses.

  8. Origin of low-molecular mass aldehydes as disinfection by-products in beverages.

    Science.gov (United States)

    Serrano, María; Gallego, Mercedes; Silva, Manuel

    2017-09-01

    A novel, simple and automatic method based on static headspace-gas chromatography-mass spectrometry has been developed to determine 10 low-molecular mass aldehydes that can be found in beverages, coming from the treated water used in their production. These aldehydes are the most frequently found in treated water as water disinfection by-products, so they can be used as indicators of the addition of treated water to beverages. The study covered a large number of fruit juices and soft drinks. The presence of the whole array of analytes is related to the contact with treated water during beverage production, mainly by the addition of treated water as ingredient. In particular, propionaldehyde, valeraldehyde and benzaldehyde can be used as indicators of the addition of treated water in these kinds of beverages. Among the ten aldehydes, only formaldehyde and acetaldehyde are naturally present in all kinds of fruit, and their concentrations are related to stage of the ripening of the fruit.

  9. Molecular Ionization-Desorption Analysis Source (MIDAS) for Mass Spectrometry: Thin-Layer Chromatography

    Science.gov (United States)

    Winter, Gregory T.; Wilhide, Joshua A.; LaCourse, William R.

    2016-02-01

    Molecular ionization-desorption analysis source (MIDAS), which is a desorption atmospheric pressure chemical ionization (DAPCI) type source, for mass spectrometry has been developed as a multi-functional platform for the direct sampling of surfaces. In this article, its utility for the analysis of thin-layer chromatography (TLC) plates is highlighted. Amino acids, which are difficult to visualize without staining reagents or charring, were detected and identified directly from a TLC plate. To demonstrate the full potential of MIDAS, all active ingredients from an analgesic tablet, separated on a TLC plate, were successfully detected using both positive and negative ion modes. The identity of each of the compounds was confirmed from their mass spectra and compared against standards. Post separation, the chemical signal (blue permanent marker) as reference marks placed at the origin and solvent front were used to calculate retention factor (Rf) values from the resulting ion chromatogram. The quantitative capabilities of the device were exhibited by scanning caffeine spots on a TLC plate of increasing sample amount. A linear curve based on peak are, R2 = 0.994, was generated for seven spots ranging from 50 to 1000 ng of caffeine per spot.

  10. Estimates for the ionization and mass of type I supernova envelopes, based on the radioactivity hypothesis

    International Nuclear Information System (INIS)

    Shklovskii, I.

    1981-01-01

    Analysis of spectroscopic evidence for supernova 1972e fully confirms the hypothesis that radioactive 56 Ni decay produces the exponential tail in type I light curves. Relativistic positrons formed through the β decay of 56 Co will interact with material in the envelope thrown off by the supernova outburst; hence the ionization of the envelope can be estimated. The chief supplier of free electrons to the envelope will evidently be helium, the most abundant element there; iron, on the other hand, will mainly be in the Fe II state. The envelope would then have a mass of roughly-equal0.6 M/sub sun/ and a kinetic energy of roughly-equal5 x 10 50 erg, in agreement with observation. Accordingly, neutron stars should develop in type I as well as type II outbursts. Only type I supernovae, however, will synthesize the iron in the universe

  11. Optimal-mass-transfer-based estimation of glymphatic transport in living brain

    Science.gov (United States)

    Ratner, Vadim; Zhu, Liangjia; Kolesov, Ivan; Nedergaard, Maiken; Benveniste, Helene; Tannenbaum, Allen

    2015-03-01

    It was recently shown that the brain-wide cerebrospinal fluid (CSF) and interstitial fluid exchange system designated the `glymphatic pathway' plays a key role in removing waste products from the brain, similarly to the lymphatic system in other body organs . It is therefore important to study the flow patterns of glymphatic transport through the live brain in order to better understand its functionality in normal and pathological states. Unlike blood, the CSF does not flow rapidly through a network of dedicated vessels, but rather through para-vascular channels and brain parenchyma in a slower time-domain, and thus conventional fMRI or other blood-flow sensitive MRI sequences do not provide much useful information about the desired flow patterns. We have accordingly analyzed a series of MRI images, taken at different times, of the brain of a live rat, which was injected with a paramagnetic tracer into the CSF via the lumbar intrathecal space of the spine. Our goal is twofold: (a) find glymphatic (tracer) flow directions in the live rodent brain; and (b) provide a model of a (healthy) brain that will allow the prediction of tracer concentrations given initial conditions. We model the liquid flow through the brain by the diffusion equation. We then use the Optimal Mass Transfer (OMT) approach to derive the glymphatic flow vector field, and estimate the diffusion tensors by analyzing the (changes in the) flow. Simulations show that the resulting model successfully reproduces the dominant features of the experimental data. Keywords: inverse problem, optimal mass transport, diffusion equation, cerebrospinal fluid flow in brain, optical flow, liquid flow modeling, Monge Kantorovich problem, diffusion tensor estimation

  12. Probing the Composition, Assembly and Activity of Protein Molecular Machines using Native Mass Spectrometry

    NARCIS (Netherlands)

    van de Waterbeemd, M.J.

    2017-01-01

    Native mass spectrometry and mass spectrometry in general, are powerful analytical tools for studying proteins and protein complexes. Native mass spectrometry may provide accurate mass measurements of large macromolecular assemblies enabling the investigation of their composition and stoichiometry.

  13. Estimation of relative permeability and capillary pressure from mass imbibition experiments

    Science.gov (United States)

    Alyafei, Nayef; Blunt, Martin J.

    2018-05-01

    We perform spontaneous imbibition experiments on three carbonates - Estaillades, Ketton, and Portland - which are three quarry limestones that have very different pore structures and span wide range of permeability. We measure the mass of water imbibed in air saturated cores as a function of time under strongly water-wet conditions. Specifically, we perform co-current spontaneous experiments using a highly sensitive balance to measure the mass imbibed as a function of time for the three rocks. We use cores measuring 37 mm in diameter and three lengths of approximately 76 mm, 204 mm, and 290 mm. We show that the amount imbibed scales as the square root of time and find the parameter C, where the volume imbibed per unit cross-sectional area at time t is Ct1/2. We find higher C values for higher permeability rocks. Employing semi-analytical solutions for one-dimensional flow and using reasonable estimates of relative permeability and capillary pressure, we can match the experimental data. We finally discuss how, in combination with conventional measurements, we can use theoretical solutions and imbibition measurements to find or constrain relative permeability and capillary pressure.

  14. Stratospheric sulfuric acid fraction and mass estimate for the 1982 volcanic eruption of El Chichon

    Science.gov (United States)

    Hofmann, D. J.; Rosen, J. M.

    1983-01-01

    The stratospheric sulfuric acid fraction and mass for the 1982 volcanic eruptions of El Chichon are investigated using data from balloon soundings at Laramie (41 deg N) and in southern Texas (27-29 deg N). The total stratospheric mass of these eruptions is estimated to be approximately 8 Tg about 6.5 months after the eruption with possibly as much as 20 Tg in the stratosphere about 45 days after the eruption. Observations of the aerosol in Texas revealed two primary layers, both highly volatile at 150 C. Aerosol in the upper layer at about 25 km was composed of an approximately 80 percent H2SO4 solution while the lower layer at approximately 18 km was composed of a 60-65 percent H2SO4 solution aerosol. It is calculated that an H2SO4 vapor concentration of at least 3 x 10 to the 7th molecules/cu cm is needed to sustain the large droplets in the upper layer. An early bi-modal nature in the size distribution indicates droplet nucleation from the gas phase during the first 3 months, while the similarity of the large particle profiles 2 months apart shows continued particle growth 6.5 months after the explosion.

  15. AN IMPROVED DISTANCE AND MASS ESTIMATE FOR SGR A* FROM A MULTISTAR ORBIT ANALYSIS

    Energy Technology Data Exchange (ETDEWEB)

    Boehle, A.; Ghez, A. M.; Meyer, L.; Yelda, S.; Albers, S.; Martinez, G. D.; Becklin, E. E.; Do, T.; Morris, M. R.; Sitarski, B.; Witzel, G. [UCLA, Department of Physics and Astronomy, Los Angeles, CA 90095 (United States); Schödel, R. [Instituto de Astrofísica de Andalucía (CSIC), Glorieta de la Astronomía S/N, E-18008 Granada (Spain); Lu, J. R. [Institute for Astronomy, University of Hawaii, Honolulu, HI 96822 (United States); Matthews, K., E-mail: aboehle@astro.ucla.edu [Division of Physics, Mathematics, and Astronomy, California Institute of Technology, MC 301-17, Pasadena, CA 91125 (United States)

    2016-10-10

    We present new, more precise measurements of the mass and distance of our Galaxy’s central supermassive black hole, Sgr A*. These results stem from a new analysis that more than doubles the time baseline for astrometry of faint stars orbiting Sgr A*, combining 2 decades of speckle imaging and adaptive optics data. Specifically, we improve our analysis of the speckle images by using information about a star’s orbit from the deep adaptive optics data (2005–2013) to inform the search for the star in the speckle years (1995–2005). When this new analysis technique is combined with the first complete re-reduction of Keck Galactic Center speckle images using speckle holography, we are able to track the short-period star S0-38 ( K -band magnitude = 17, orbital period = 19 yr) through the speckle years. We use the kinematic measurements from speckle holography and adaptive optics to estimate the orbits of S0-38 and S0-2 and thereby improve our constraints of the mass ( M {sub bh}) and distance ( R {sub o} ) of Sgr A*: M {sub bh} = (4.02 ± 0.16 ± 0.04) × 10{sup 6} M {sub ⊙} and 7.86 ± 0.14 ± 0.04 kpc. The uncertainties in M {sub bh} and R {sub o} as determined by the combined orbital fit of S0-2 and S0-38 are improved by a factor of 2 and 2.5, respectively, compared to an orbital fit of S0-2 alone and a factor of ∼2.5 compared to previous results from stellar orbits. This analysis also limits the extended dark mass within 0.01 pc to less than 0.13 × 10{sup 6} M {sub ⊙} at 99.7% confidence, a factor of 3 lower compared to prior work.

  16. Mathematical simulation for estimating reduction of breast cancer mortality in mass screening using mammography

    International Nuclear Information System (INIS)

    Iinuma, Takeshi; Matsumoto, Tohru; Tateno, Yukio

    1999-01-01

    In Japan it is considered that mammography should be introduced with physical examination for the mass screening of breast cancer instead of physical examination alone, which is performed at present. Before the introduction of mammography, a mathematical simulation should be performed to show the reduction in breast cancer mortality by mass screening compared with an unscreened population. A mathematical model of cancer screening devised by the authors was used to estimate the number of deaths due to breast cancer (A) in the screened group and those (B) in the unscreened group within the same population. Then the relative risk (RR) and attributable risk (RD) were calculated as (A/B) and (B-A) respectively. Three methods of mass screening were compared: (1) physical examination (1-year interval), (2) mammography with physical examination (1-year interval), (3) mammography with physical examination (2-year interval). The calculated RR values were 0.85 for (1), 0.60 for (2) and 0.69 for (3). Assuming that the incidence of breast cancer was 100/10 5 person-years, the calculated RD values were 3.0, 8.1 and 6.2 persons/10 5 person-years for (1), (2) and (3), respectively. The 95% confidence interval of RR for three methods was over 1.0, and thus the reduction of breast cancer mortality was not statistically significant in the present population. In conclusion, mammography with physical examination may reduce breast cancer mortality in comparison with physical examination alone, but a larger number of women must be screened in order to obtain a significant RR value. (author)

  17. The Impact of Atmospheric Modeling Errors on GRACE Estimates of Mass Loss in Greenland and Antarctica

    Science.gov (United States)

    Hardy, Ryan A.; Nerem, R. Steven; Wiese, David N.

    2017-12-01

    Systematic errors in Gravity Recovery and Climate Experiment (GRACE) monthly mass estimates over the Greenland and Antarctic ice sheets can originate from low-frequency biases in the European Centre for Medium-Range Weather Forecasts (ECMWF) Operational Analysis model, the atmospheric component of the Atmospheric and Ocean Dealising Level-1B (AOD1B) product used to forward model atmospheric and ocean gravity signals in GRACE processing. These biases are revealed in differences in surface pressure between the ECMWF Operational Analysis model, state-of-the-art reanalyses, and in situ surface pressure measurements. While some of these errors are attributable to well-understood discrete model changes and have published corrections, we examine errors these corrections do not address. We compare multiple models and in situ data in Antarctica and Greenland to determine which models have the most skill relative to monthly averages of the dealiasing model. We also evaluate linear combinations of these models and synthetic pressure fields generated from direct interpolation of pressure observations. These models consistently reveal drifts in the dealiasing model that cause the acceleration of Antarctica's mass loss between April 2002 and August 2016 to be underestimated by approximately 4 Gt yr-2. We find similar results after attempting to solve the inverse problem, recovering pressure biases directly from the GRACE Jet Propulsion Laboratory RL05.1 M mascon solutions. Over Greenland, we find a 2 Gt yr-1 bias in mass trend. While our analysis focuses on errors in Release 05 of AOD1B, we also evaluate the new AOD1B RL06 product. We find that this new product mitigates some of the aforementioned biases.

  18. Air-sea fluxes and satellite-based estimation of water masses formation

    Science.gov (United States)

    Sabia, Roberto; Klockmann, Marlene; Fernandez-Prieto, Diego; Donlon, Craig

    2015-04-01

    and monthly water mass formation rates for different SST and SSS ranges are presented. The formation peaks are remapped geographically, to analyze the extent of the formation area. Water mass formation derived from SMOS and OSTIA compares well with the results obtained from in-situ data, although slight differences in magnitude and peak location occur. Known water masses can then be identified. Ongoing/future work aims at extending this study along different avenues by: 1) expand systematically the spatial and temporal domain of the study to additional ocean basins and to the entire time period of available SSS observations from SMOS/Aquarius; 2) perform a thorough error propagation to assess how errors in satellite SSS and SST translate into errors in water masses formation rates and geographical areas extent; and 3) explore the different options to connect the surface information to the vertical buoyancy structure to assess potential density instability (e.g., Turner angle). References [1] Sabia, R., M. Klockmann, D. Fernández-Prieto, and C. Donlon (2014), A first estimation of SMOS-based ocean surface T-S diagrams, J. Geophys. Res. Oceans, 119, 7357-7371, doi:10.1002/2014JC010120. [2] Klockmann, M., R. Sabia, D. Fernández-Prieto, C. Donlon, J. Font; Towards an estimation of water masses formation areas from SMOS-based T-S diagrams; EGU general assembly 2014, April 27-May 2, 2014. [3] Klockmann, M., R. Sabia, D. Fernández-Prieto, C. Donlon, Linking satellite SSS and SST to water mass formation; Ocean salinity science and salinity remote sensing workshop, Exeter, UK, November 26-28, 2014. [4] Font, J., A. Camps, A. Borges, M. Martín-Neira, J. Boutin, N. Reul, Y. H. Kerr, A. Hahne, and S. Mecklenburg, "SMOS: The challenging sea surface salinity measurement from space," Proceedings of the IEEE, vol. 98, pp. 649-665, 2010. [5] Le Vine, D.M.; Lagerloef, G.S.E.; Torrusio, S.E.; "Aquarius and Remote Sensing of Sea Surface Salinity from Space," Proceedings of the IEEE

  19. Mass

    International Nuclear Information System (INIS)

    Quigg, Chris

    2007-01-01

    In the classical physics we inherited from Isaac Newton, mass does not arise, it simply is. The mass of a classical object is the sum of the masses of its parts. Albert Einstein showed that the mass of a body is a measure of its energy content, inviting us to consider the origins of mass. The protons we accelerate at Fermilab are prime examples of Einsteinian matter: nearly all of their mass arises from stored energy. Missing mass led to the discovery of the noble gases, and a new form of missing mass leads us to the notion of dark matter. Starting with a brief guided tour of the meanings of mass, the colloquium will explore the multiple origins of mass. We will see how far we have come toward understanding mass, and survey the issues that guide our research today.

  20. Position sensitive detection coupled to high-resolution time-of-flight mass spectrometry: Imaging for molecular beam deflection experiments

    International Nuclear Information System (INIS)

    Abd El Rahim, M.; Antoine, R.; Arnaud, L.; Barbaire, M.; Broyer, M.; Clavier, Ch.; Compagnon, I.; Dugourd, Ph.; Maurelli, J.; Rayane, D.

    2004-01-01

    We have developed and tested a high-resolution time-of-flight mass spectrometer coupled to a position sensitive detector for molecular beam deflection experiments. The major achievement of this new spectrometer is to provide a three-dimensional imaging (X and Y positions and time-of-flight) of the ion packet on the detector, with a high acquisition rate and a high resolution on both the mass and the position. The calibration of the experimental setup and its application to molecular beam deflection experiments are discussed

  1. A Unified tool to estimate Distances, Ages, and Masses (UniDAM) from spectrophotometric data

    Science.gov (United States)

    Mints, Alexey; Hekker, Saskia

    2017-08-01

    Context. Galactic archaeology, the study of the formation and evolution of the Milky Way by reconstructing its past from its current constituents, requires precise and accurate knowledge of stellar parameters for as many stars as possible. To achieve this, a number of large spectroscopic surveys have been undertaken and are still ongoing. Aims: So far consortia carrying out the different spectroscopic surveys have used different tools to determine stellar parameters of stars from their derived effective temperatures (Teff), surface gravities (log g), and metallicities ([Fe/H]); the parameters can be combined with photometric, astrometric, interferometric, or asteroseismic information. Here we aim to homogenise the stellar characterisation by applying a unified tool to a large set of publicly available spectrophotometric data. Methods: We used spectroscopic data from a variety of large surveys combined with infrared photometry from 2MASS and AllWISE and compared these in a Bayesian manner with PARSEC isochrones to derive probability density functions (PDFs) for stellar masses, ages, and distances. We treated PDFs of pre-helium-core burning, helium-core burning, and post helium-core burning solutions as well as different peaks in multimodal PDFs (I.e. each unimodal sub-PDF) of the different evolutionary phases separately. Results: For over 2.5 million stars we report mass, age, and distance estimates for each evolutionary phase and unimodal sub-PDF. We report Gaussian, skewed, Gaussian, truncated Gaussian, modified truncated exponential distribution or truncated Student's t-distribution functions to represent each sub-PDF, allowing us to reconstruct detailed PDFs. Comparisons with stellar parameter estimates from the literature show good agreement within uncertainties. Conclusions: We present UniDAM, the unified tool applicable to spectrophotometric data of different surveys, to obtain a homogenised set of stellar parameters. The unified tool and the tables with

  2. Hybrid Imaging Labels: Providing the Link Between Mass Spectrometry-Based Molecular Pathology and Theranostics

    Science.gov (United States)

    Buckle, Tessa; van der Wal, Steffen; van Malderen, Stijn J.M.; Müller, Larissa; Kuil, Joeri; van Unen, Vincent; Peters, Ruud J.B.; van Bemmel, Margaretha E.M.; McDonnell, Liam A.; Velders, Aldrik H.; Koning, Frits; Vanhaeke, Frank; van Leeuwen, Fijs W. B.

    2017-01-01

    Background: Development of theranostic concepts that include inductively coupled plasma mass spectrometry (ICP-MS) and laser ablation ICP-MS (LA-ICP-MS) imaging can be hindered by the lack of a direct comparison to more standardly used methods for in vitro and in vivo evaluation; e.g. fluorescence or nuclear medicine. In this study a bimodal (or rather, hybrid) tracer that contains both a fluorescent dye and a chelate was used to evaluate the existence of a direct link between mass spectrometry (MS) and in vitro and in vivo molecular imaging findings using fluorescence and radioisotopes. At the same time, the hybrid label was used to determine whether the use of a single isotope label would allow for MS-based diagnostics. Methods: A hybrid label that contained both a DTPA chelate (that was coordinated with either 165Ho or 111In) and a Cy5 fluorescent dye was coupled to the chemokine receptor 4 (CXCR4) targeting peptide Ac-TZ14011 (hybrid-Cy5-Ac-TZ4011). This receptor targeting tracer was used to 1) validate the efficacy of (165Ho-based) mass-cytometry in determining the receptor affinity via comparison with fluorescence-based flow cytometry (Cy5), 2) evaluate the microscopic binding pattern of the tracer in tumor cells using both fluorescence confocal imaging (Cy5) and LA-ICP-MS-imaging (165Ho), 3) compare in vivo biodistribution patterns obtained with ICP-MS (165Ho) and radiodetection (111In) after intravenous administration of hybrid-Cy5-Ac-TZ4011 in tumor-bearing mice. Finally, LA-ICP-MS-imaging (165Ho) was linked to fluorescence-based analysis of excised tissue samples (Cy5). Results: Analysis with both mass-cytometry and flow cytometry revealed a similar receptor affinity, respectively 352 ± 141 nM and 245 ± 65 nM (p = 0.08), but with a much lower detection sensitivity for the first modality. In vitro LA-ICP-MS imaging (165Ho) enabled clear discrimination between CXCR4 positive and negative cells, but fluorescence microscopy was required to determine the

  3. Ratios of regioisomers of minor acylglycerols less polar than triricinolein in castor oil estimated by mass spectrometry

    Science.gov (United States)

    We have recently reported the identification of forty new minor molecular species of acylglycerols containing hydroxy fatty acids less polar than triricinolein by electrospray ionization mass spectrometry of the lithium adducts. The ratios of regioisomers of triacylglycerols (ABC and AAB types) and ...

  4. Improved limit on the mass of ν/sub e/ from the beta decay of molecular tritium

    International Nuclear Information System (INIS)

    Bowles, T.J.; Friar, J.L.; Robertson, R.G.H.; Stephenson, G.J. Jr.; Wark, D.L.; Wilkerson, J.F.; Knapp, D.A.

    1989-01-01

    We report a new upper limit of 13.4 eV (95% confidence level) on the mass of the electron antineutrino from a study of the shape of the beta spectrum of free molecular tritium. This result appears to be inconsistent with a reported value for the mass of 26(5) eV. The electron neutrino is evidently not massive enough to close the universe by itself. 23 refs., 1 fig., 2 tabs

  5. Improved limit on the mass of bar νe from the beta decay of molecular tritium

    International Nuclear Information System (INIS)

    Bowles, T.J.; Robertson, R.G.H.; Wark, D.L.; Wilkerson, J.F.; Stephenson, G.J.; Friar, J.L.; Knapp, D.A.

    1990-01-01

    We report a new upper limit of 13.4 eV (95% confidence level) on the mass of the electron antineutrino from a study of the shape of the beta spectrum of free molecular tritium. This result appears to be inconsistent with a reported value for the mass of 26(5) eV. The electron neutrino is evidently not massive enough to close the universe by itself. 21 refs., 1 fig., 2 tabs

  6. Validity of bioelectrical impedance analysis in estimation of fat-free mass in colorectal cancer patients.

    Science.gov (United States)

    Ræder, Hanna; Kværner, Ane Sørlie; Henriksen, Christine; Florholmen, Geir; Henriksen, Hege Berg; Bøhn, Siv Kjølsrud; Paur, Ingvild; Smeland, Sigbjørn; Blomhoff, Rune

    2018-02-01

    Bioelectrical impedance analysis (BIA) is an accessible and cheap method to measure fat-free mass (FFM). However, BIA estimates are subject to uncertainty in patient populations with altered body composition and hydration. The aim of the current study was to validate a whole-body and a segmental BIA device against dual-energy X-ray absorptiometry (DXA) in colorectal cancer (CRC) patients, and to investigate the ability of different empiric equations for BIA to predict DXA FFM (FFM DXA ). Forty-three non-metastatic CRC patients (aged 50-80 years) were enrolled in this study. Whole-body and segmental BIA FFM estimates (FFM whole-bodyBIA , FFM segmentalBIA ) were calculated using 14 empiric equations, including the equations from the manufacturers, before comparison to FFM DXA estimates. Strong linear relationships were observed between FFM BIA and FFM DXA estimates for all equations (R 2  = 0.94-0.98 for both devices). However, there were large discrepancies in FFM estimates depending on the equations used with mean differences in the ranges -6.5-6.8 kg and -11.0-3.4 kg for whole-body and segmental BIA, respectively. For whole-body BIA, 77% of BIA derived FFM estimates were significantly different from FFM DXA , whereas for segmental BIA, 85% were significantly different. For whole-body BIA, the Schols* equation gave the highest agreement with FFM DXA with mean difference ±SD of -0.16 ± 1.94 kg (p = 0.582). The manufacturer's equation gave a small overestimation of FFM with 1.46 ± 2.16 kg (p FFM DXA (0.17 ± 1.83 kg (p = 0.546)). Using the manufacturer's equation, no difference in FFM estimates was observed (-0.34 ± 2.06 kg (p = 0.292)), however, a clear proportional bias was detected (r = 0.69, p FFM compared to DXA using the optimal equation. In a population of non-metastatic CRC patients, mostly consisting of Caucasian adults and with a wide range of body composition measures, both the whole-body BIA and segmental BIA device

  7. Molecular diversity and body distribution of saponins in the sea star Asterias rubens by mass spectrometry.

    Science.gov (United States)

    Demeyer, Marie; De Winter, Julien; Caulier, Guillaume; Eeckhaut, Igor; Flammang, Patrick; Gerbaux, Pascal

    2014-02-01

    Saponins are natural molecules that the common sea star Asterias rubens produces in the form of steroid glycosides bearing a sulfate group attached on the aglycone part. In order to highlight the inter-organ and inter-individual variability, the saponin contents of five distinct body components, namely the aboral body wall, the oral body wall, the stomach, the pyloric caeca and the gonads, from different individuals were separately analyzed by mass spectrometry. MALDI-ToF experiments were selected as the primary tool for a rapid screening of the saponin mixtures, whereas LC-MS and LC-MS/MS techniques were used to achieve chromatographic separation of isomers. First of all, our analyses demonstrated that the diversity of saponins is higher than previously reported. Indeed, nine new congeners were observed in addition to the 17 saponins already described in this species. On the basis of all the collected MS/MS data, we also identified collision-induced key-fragmentations that could be used to reconstruct the molecular structure of both known and unknown saponin ions. Secondly, the comparison of the saponin contents from the five different body components revealed that each organ is characterized by a specific mixture of saponins and that between animals there are also qualitative and quantitative variability of the saponin contents which could be linked to the sex or to the collecting season. Therefore, the observed high variability unambiguously confirms that saponins probably fulfill several biological functions in A. rubens. The current results will pave the way for our future studies that will be devoted to the clarification of the biological roles of saponins in A. rubens at a molecular level. © 2013.

  8. Substrate specificity of low-molecular mass bacterial DD-peptidases.

    Science.gov (United States)

    Nemmara, Venkatesh V; Dzhekieva, Liudmila; Sarkar, Kumar Subarno; Adediran, S A; Duez, Colette; Nicholas, Robert A; Pratt, R F

    2011-11-22

    The bacterial DD-peptidases or penicillin-binding proteins (PBPs) catalyze the formation and regulation of cross-links in peptidoglycan biosynthesis. They are classified into two groups, the high-molecular mass (HMM) and low-molecular mass (LMM) enzymes. The latter group, which is subdivided into classes A-C (LMMA, -B, and -C, respectively), is believed to catalyze DD-carboxypeptidase and endopeptidase reactions in vivo. To date, the specificity of their reactions with particular elements of peptidoglycan structure has not, in general, been defined. This paper describes the steady-state kinetics of hydrolysis of a series of specific peptidoglycan-mimetic peptides, representing various elements of stem peptide structure, catalyzed by a range of LMM PBPs (the LMMA enzymes, Escherichia coli PBP5, Neisseria gonorrhoeae PBP4, and Streptococcus pneumoniae PBP3, and the LMMC enzymes, the Actinomadura R39 dd-peptidase, Bacillus subtilis PBP4a, and N. gonorrhoeae PBP3). The R39 enzyme (LMMC), like the previously studied Streptomyces R61 DD-peptidase (LMMB), specifically and rapidly hydrolyzes stem peptide fragments with a free N-terminus. In accord with this result, the crystal structures of the R61 and R39 enzymes display a binding site specific to the stem peptide N-terminus. These are water-soluble enzymes, however, with no known specific function in vivo. On the other hand, soluble versions of the remaining enzymes of those noted above, all of which are likely to be membrane-bound and/or associated in vivo and have been assigned particular roles in cell wall biosynthesis and maintenance, show little or no specificity for peptides containing elements of peptidoglycan structure. Peptidoglycan-mimetic boronate transition-state analogues do inhibit these enzymes but display notable specificity only for the LMMC enzymes, where, unlike peptide substrates, they may be able to effectively induce a specific active site structure. The manner in which LMMA (and HMM) DD

  9. Experimental design for estimating parameters of rate-limited mass transfer: Analysis of stream tracer studies

    Science.gov (United States)

    Wagner, Brian J.; Harvey, Judson W.

    1997-01-01

    Tracer experiments are valuable tools for analyzing the transport characteristics of streams and their interactions with shallow groundwater. The focus of this work is the design of tracer studies in high-gradient stream systems subject to advection, dispersion, groundwater inflow, and exchange between the active channel and zones in surface or subsurface water where flow is stagnant or slow moving. We present a methodology for (1) evaluating and comparing alternative stream tracer experiment designs and (2) identifying those combinations of stream transport properties that pose limitations to parameter estimation and therefore a challenge to tracer test design. The methodology uses the concept of global parameter uncertainty analysis, which couples solute transport simulation with parameter uncertainty analysis in a Monte Carlo framework. Two general conclusions resulted from this work. First, the solute injection and sampling strategy has an important effect on the reliability of transport parameter estimates. We found that constant injection with sampling through concentration rise, plateau, and fall provided considerably more reliable parameter estimates than a pulse injection across the spectrum of transport scenarios likely encountered in high-gradient streams. Second, for a given tracer test design, the uncertainties in mass transfer and storage-zone parameter estimates are strongly dependent on the experimental Damkohler number, DaI, which is a dimensionless combination of the rates of exchange between the stream and storage zones, the stream-water velocity, and the stream reach length of the experiment. Parameter uncertainties are lowest at DaI values on the order of 1.0. When DaI values are much less than 1.0 (owing to high velocity, long exchange timescale, and/or short reach length), parameter uncertainties are high because only a small amount of tracer interacts with storage zones in the reach. For the opposite conditions (DaI ≫ 1.0), solute

  10. Estimating disability prevalence among adults by body mass index: 2003-2009 National Health Interview Survey.

    Science.gov (United States)

    Armour, Brian S; Courtney-Long, Elizabeth; Campbell, Vincent A; Wethington, Holly R

    2012-01-01

    Obesity is associated with adverse health outcomes in people with and without disabilities; however, little is known about disability prevalence among people who are obese. The purpose of this study was to determine the prevalence and type of disability among obese adults in the United States. We analyzed pooled data from sample adult modules of the 2003-2009 National Health Interview Survey (NHIS) to obtain national prevalence estimates of disability, disability type, and obesity by using 30 questions that screened for activity limitations, vision and hearing impairment, and cognitive, movement, and emotional difficulties. We stratified disability prevalence by category of body mass index (BMI, measured as kg/m(2)): underweight, less than 18.5; normal weight, 18.5 to 24.9; overweight, 25.0 to 29.9; and obese, 30.0 or higher. Among the 25.3% of adult men and 24.6% of women in our pooled sample who were obese, 35.2% and 46.9%, respectively, reported a disability. In contrast, 26.7% of men and 26.8% women of normal weight reported a disability. Disability was much higher among obese women than among obese men (46.9% vs 35.2%, P < .001). Movement difficulties were the most common disabilities among obese men and women, affecting 25.3% of men and 37.9% of women. This research contributes to the literature on obesity by including disability as a demographic in characterizing people by body mass index. Because of the high prevalence of disability among those who are obese, public health programs should consider the needs of those with disabilities when designing obesity prevention and treatment programs.

  11. Molecular analysis of intact preen waxes of Calidris canutus (Aves : Scolopacidae) by gas chromatography/mass spectrometry

    NARCIS (Netherlands)

    Dekker, MHA; Piersma, T; Damste, JSS; Dekker, Marlèn H.A.; Sinninghe Damsté, Jaap S.

    The intact preen wax esters of the red knot Calidris canutus were studied with gas chromatography/mass spectrometry (GC/MS) and GC/MS/MS. In this latter technique, transitions from the molecular ion to fragment ions representing the fatty acid moiety of the wax esters were measured, providing

  12. Design of a reflex time-of-flight mass spectrometer for the study of the desorption of molecular ions

    International Nuclear Information System (INIS)

    Riggi, F.

    1991-01-01

    A reflex time-of-flight mass spectrometer for the study of the desorption and dissociation of molecular ions has been designed. A general overview of the instrument is reported, together with the different experimental aspects of the technique. These include mechanical and vacuum solutions, secondary ion optics in the electrostatic mirror, electronics, data acquisition and analysis

  13. A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments.

    Science.gov (United States)

    Sellers, Benjamin D; James, Natalie C; Gobbi, Alberto

    2017-06-26

    Reducing internal strain energy in small molecules is critical for designing potent drugs. Quantum mechanical (QM) and molecular mechanical (MM) methods are often used to estimate these energies. In an effort to determine which methods offer an optimal balance in accuracy and performance, we have carried out torsion scan analyses on 62 fragments. We compared nine QM and four MM methods to reference energies calculated at a higher level of theory: CCSD(T)/CBS single point energies (coupled cluster with single, double, and perturbative triple excitations at the complete basis set limit) calculated on optimized geometries using MP2/6-311+G**. The results show that both the more recent MP2.X perturbation method as well as MP2/CBS perform quite well. In addition, combining a Hartree-Fock geometry optimization with a MP2/CBS single point energy calculation offers a fast and accurate compromise when dispersion is not a key energy component. Among MM methods, the OPLS3 force field accurately reproduces CCSD(T)/CBS torsion energies on more test cases than the MMFF94s or Amber12:EHT force fields, which struggle with aryl-amide and aryl-aryl torsions. Using experimental conformations from the Cambridge Structural Database, we highlight three example structures for which OPLS3 significantly overestimates the strain. The energies and conformations presented should enable scientists to estimate the expected error for the methods described and we hope will spur further research into QM and MM methods.

  14. Estimation of regional mass anomalies from Gravity Recovery and Climate Experiment (GRACE) over Himalayan region

    Science.gov (United States)

    Agrawal, R.; Singh, S. K.; Rajawat, A. S.; Ajai

    2014-11-01

    Time-variable gravity changes are caused by a combination of postglacial rebound, redistribution of water and snow/ice on land and as well as in the ocean. The Gravity Recovery and Climate Experiment (GRACE) satellite mission, launched in 2002, provides monthly average of the spherical harmonic co-efficient. These spherical harmonic co-efficient describe earth's gravity field with a resolution of few hundred kilometers. Time-variability of gravity field represents the change in mass over regional level with accuracies in cm in terms of Water Equivalent Height (WEH). The WEH reflects the changes in the integrated vertically store water including snow cover, surface water, ground water and soil moisture at regional scale. GRACE data are also sensitive towards interior strain variation, surface uplift and surface subsidence cover over a large area. GRACE data was extracted over the three major Indian River basins, Indus, Ganga and Brahmaputra, in the Himalayas which are perennial source of fresh water throughout the year in Northern Indian Plain. Time series analysis of the GRACE data was carried out from 2003-2012 over the study area. Trends and amplitudes of the regional mass anomalies in the region were estimated using level 3 GRACE data product with a spatial resolution at 10 by 10 grid provided by Center for Space Research (CSR), University of Texas at Austin. Indus basin has shown a subtle decreasing trend from 2003-2012 however it was observed to be statistically insignificant at 95 % confidence level. Ganga and Brahmaputra basins have shown a clear decreasing trend in WEH which was also observed to be statistically significant. The trend analysis over Ganga and Brahamputra basins have shown an average annual change of -1.28 cm and -1.06 cm in terms of WEH whereas Indus basin has shown a slight annual change of -0.07 cm. This analysis will be helpful to understand the loss of mass in terms of WEH over Indian Himalayas and will be crucial for hydrological and

  15. Validation of equations and proposed reference values to estimate fat mass in Chilean university students.

    Science.gov (United States)

    Gómez Campos, Rossana; Pacheco Carrillo, Jaime; Almonacid Fierro, Alejandro; Urra Albornoz, Camilo; Cossío-Bolaños, Marco

    2018-03-01

    (i) To propose regression equations based on anthropometric measures to estimate fat mass (FM) using dual energy X-ray absorptiometry (DXA) as reference method, and (ii)to establish population reference standards for equation-derived FM. A cross-sectional study on 6,713 university students (3,354 males and 3,359 females) from Chile aged 17.0 to 27.0years. Anthropometric measures (weight, height, waist circumference) were taken in all participants. Whole body DXA was performed in 683 subjects. A total of 478 subjects were selected to develop regression equations, and 205 for their cross-validation. Data from 6,030 participants were used to develop reference standards for FM. Equations were generated using stepwise multiple regression analysis. Percentiles were developed using the LMS method. Equations for men were: (i) FM=-35,997.486 +232.285 *Weight +432.216 *CC (R 2 =0.73, SEE=4.1); (ii)FM=-37,671.303 +309.539 *Weight +66,028.109 *ICE (R2=0.76, SEE=3.8), while equations for women were: (iii)FM=-13,216.917 +461,302 *Weight+91.898 *CC (R 2 =0.70, SEE=4.6), and (iv) FM=-14,144.220 +464.061 *Weight +16,189.297 *ICE (R 2 =0.70, SEE=4.6). Percentiles proposed included p10, p50, p85, and p95. The developed equations provide valid and accurate estimation of FM in both sexes. The values obtained using the equations may be analyzed from percentiles that allow for categorizing body fat levels by age and sex. Copyright © 2017 SEEN y SED. Publicado por Elsevier España, S.L.U. All rights reserved.

  16. Reaction of low-molecular-mass organoselenium compounds (and their sulphur analogues) with inflammation-associated oxidants

    DEFF Research Database (Denmark)

    Carroll, L.; Davies, Michael J.; Pattison, D. I.

    2015-01-01

    Selenium is an essential trace element in mammals, with the majority specifically encoded as seleno-L-cysteine into a range of selenoproteins. Many of these proteins play a key role in modulating oxidative stress, via either direct detoxification of biological oxidants, or repair of oxidised...... the chemistry of low-molecular-mass organoselenium compounds (e.g. selenoethers, diselenides and selenols) with inflammatory oxidants, with a particular focus on the reaction kinetics and product studies, with the differences in reactivity between selenium and sulphur analogues described in the selected...... examples. These data provide insight into the therapeutic potential of low-molecular-mass selenium-containing compounds to modulate the activity of both radical and molecular oxidants and provide protection against inflammation-induced damage. Progress in their therapeutic development (including modulation...

  17. The characterisation of molecular boric acid by mass spectrometry and matrix isolation-infrared spectroscopy

    International Nuclear Information System (INIS)

    Ogden, J.S.; Young, N.A.; Bowsher, B.R.

    1987-10-01

    Boric acid (H 3 BO 3 ) is used as a soluble neutron absorber in the coolant of pressurised water reactors and will be an important species in defining the fission product chemistry of severe reactor accidents. Mass spectrometry and matrix isolation-infrared spectroscopy have been used to characterise boric acid in the vapour phase and hence assess the implications of any chemical interactions. Crystalline orthoboric acid vaporises to yield molecular H 3 BO 3 when heated in vacuum to approximately 40 0 C. The infrared spectrum of the vapour species isolated in low-temperature nitrogen matrices shows characteristic absorptions at 3668.5 (E'), 1426.2 (E'), 1009.9 (E'), 675.0 (A''), 513.8 (A'') and 448.9 (E') cm -1 , consistent with C 3h symmetry. These spectral assignments are supported by extensive isotope labelling, and by a partial normal co-ordinate analysis. These data will be used to quantify specific thermodynamic functions and hence assist in determining the magnitude of reactions such as boric acid with caesium iodide. (author)

  18. Quantification of low molecular weight compounds by MALDI imaging mass spectrometry - A tutorial review.

    Science.gov (United States)

    Rzagalinski, Ignacy; Volmer, Dietrich A

    2017-07-01

    Matrix-assisted laser desorption/ionization (MALDI)-mass spectrometry imaging (MSI) permits label-free in situ analysis of chemical compounds directly from the surface of two-dimensional biological tissue slices. It links qualitative molecular information of compounds to their spatial coordinates and distribution within the investigated tissue. MALDI-MSI can also provide the quantitative amounts of target compounds in the tissue, if proper calibration techniques are performed. Obviously, as the target molecules are embedded within the biological tissue environment and analysis must be performed at their precise locations, there is no possibility for extensive sample clean-up routines or chromatographic separations as usually performed with homogenized biological materials; ion suppression phenomena therefore become a critical side effect of MALDI-MSI. Absolute quantification by MALDI-MSI should provide an accurate value of the concentration/amount of the compound of interest in relatively small, well-defined region of interest of the examined tissue, ideally in a single pixel. This goal is extremely challenging and will not only depend on the technical possibilities and limitations of the MSI instrument hardware, but equally on the chosen calibration/standardization strategy. These strategies are the main focus of this article and are discussed and contrasted in detail in this tutorial review. This article is part of a Special Issue entitled: MALDI Imaging, edited by Dr. Corinna Henkel and Prof. Peter Hoffmann. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Mapping of low molecular weight heparins using reversed phase ion pair liquid chromatography-mass spectrometry.

    Science.gov (United States)

    Li, Daoyuan; Chi, Lequan; Jin, Lan; Xu, Xiaohui; Du, Xuzhao; Ji, Shengli; Chi, Lianli

    2014-01-01

    Low molecular weight heparins (LMWHs) are structurally complex, highly sulfated and negatively charged, linear carbohydrate polymers prepared by chemical or enzymatic depolymerization of heparin. They are widely used as anticoagulant drugs possessing better bioavailability, longer half-life, and lower side effects than heparin. Comprehensive structure characterization of LMWHs is important for drug quality assurance, generic drug application, and new drug research and development. However, fully characterization of all oligosaccharide chains in LMWHs is not feasible for current available analytical technologies due to their structure complexity and heterogeneity. Fingerprinting profiling is an efficient way for LMWHs' characterization and comparison. In this work, we present a simple, sensitive, and powerful analytical approach for structural characterization of LMWHs. Two different LMWHs, enoxaparin and nadroparin, were analyzed using reversed phase ion pair electrospray ionization mass spectrometry (RPIP-ESI-MS). More than 200 components were identified, including major structures, minor structures, and process related impurities. This approach is robust for high resolution and complementary fingerprinting analysis of LMWHs. Copyright © 2013 Elsevier Ltd. All rights reserved.

  20. Mass spectrometry imaging: Towards mapping the elemental and molecular composition of the rhizosphere

    Energy Technology Data Exchange (ETDEWEB)

    Veličković, Dušan; Anderton, Christopher R.

    2017-06-01

    This short review will discuss and provide perspective into the utilization of mass spectrometry imaging (MSI) in studying the rhizosphere. It also serves to compliment the multi-omic focused review by White et al. in this journal issue, as MSI is capable of elucidating chemical distributions within samples of interest in an in situ fashions, and thus can provide spatial context to MS omics data in complementary experimental endeavors. The majority of reported MSI-based studies of plant-microbe interactions have focused on the phyllosphere and ‘associated rhizosphere’ (e.g., material that is not removed during harvesting), as sample preparation for these in situ analyses tends to be a limiting factor. These studies have provided valuable insight into the spatial arrangement of proteins, peptides, lipids, and other metabolites within these systems. We intend for this short review to be a primer about the history of MSI and its role in plant-microbe analysis. Along the way we reference many comprehensive reviews for the interested reader. Lastly, we offer a perspective on the future of MSI and its use in understanding the molecular transformations beyond what we coined as the ‘associated rhizosphere’ to the rest of rhizosphere zone and into the bulk soil.

  1. Carbohydrate-rich high-molecular-mass antigens are strongly recognized during experimental Histoplasma capsulatum infection

    Directory of Open Access Journals (Sweden)

    Fabrine Sales Massafera Tristão

    2012-04-01

    Full Text Available INTRODUCTION: During histoplasmosis, Histoplasma capsulatum soluble antigens (CFAg can be naturally released by yeast cells. Because CFAg can be specifically targeted during infection, in the present study we investigated CFAg release in experimental murine histoplasmosis, and evaluated the host humoral immune response against high-molecular-mass antigens (hMMAg. >150 kDa, the more immunogenic CFAg fraction. METHODS: Mice were infected with 2.2x10(4 H. capsulatum IMT/HC128 yeast cells. The soluble CFAg, IgG anti-CFAg, IgG anti-hMMAg, and IgG-hMMAg circulating immune complexes (CIC levels were determined by enzymelinked immunosorbent assay, at days 0, 7, 14, and 28 post-infection. RESULTS: We observed a progressive increase in circulating levels of CFAg, IgG anti-CFAg, IgG anti-hMMAg, and IgG-hMMAg CIC after H. capsulatum infection. The hMMAg showed a high percentage of carbohydrates and at least two main immunogenic components. CONCLUSIONS: We verified for the first time that hMMAg from H. capsulatum IMT/HC128 strain induce humoral immune response and lead to CIC formation during experimental histoplasmosis.

  2. Temperature modulates the cell wall mechanical properties of rice coleoptiles by altering the molecular mass of hemicellulosic polysaccharides

    Science.gov (United States)

    Nakamura, Yukiko; Wakabayashi, Kazuyuki; Hoson, Takayuki

    2003-01-01

    The present study was conducted to investigate the mechanism inducing the difference in the cell wall extensibility of rice (Oryza sativa L. cv. Koshihikari) coleoptiles grown under various temperature (10-50 degrees C) conditions. The growth rate and the cell wall extensibility of rice coleoptiles exhibited the maximum value at 30-40 degrees C, and became smaller as the growth temperature rose or dropped from this temperature range. The amounts of cell wall polysaccharides per unit length of coleoptile increased in coleoptiles grown at 40 degrees C, but not at other temperature conditions. On the other hand, the molecular size of hemicellulosic polysaccharides was small at temperatures where the cell wall extensibility was high (30-40 degrees C). The autolytic activities of cell walls obtained from coleoptiles grown at 30 and 40 degrees C were substantially higher than those grown at 10, 20 and 50 degrees C. Furthermore, the activities of (1-->3),(1-->4)-beta-glucanases extracted from coleoptile cell walls showed a similar tendency. When oat (1-->3),(1-->4)-beta-glucans with high molecular mass were incubated with the cell wall enzyme preparations from coleoptiles grown at various temperature conditions, the extensive molecular mass downshifts were brought about only by the cell wall enzymes obtained from coleoptiles grown at 30-40 degrees C. There were close correlations between the cell wall extensibility and the molecular mass of hemicellulosic polysaccharides or the activity of beta -glucanases. These results suggest that the environmental temperature regulates the cell wall extensibility of rice coleoptiles by modifying mainly the molecular mass of hemicellulosic polysaccharides. Modulation of the activity of beta-glucanases under various temperature conditions may be involved in the alteration of the molecular size of hemicellulosic polysaccharides.

  3. An improved estimator for the hydration of fat-free mass from in vivo measurements subject to additive technical errors

    International Nuclear Information System (INIS)

    Kinnamon, Daniel D; Ludwig, David A; Lipshultz, Steven E; Miller, Tracie L; Lipsitz, Stuart R

    2010-01-01

    The hydration of fat-free mass, or hydration fraction (HF), is often defined as a constant body composition parameter in a two-compartment model and then estimated from in vivo measurements. We showed that the widely used estimator for the HF parameter in this model, the mean of the ratios of measured total body water (TBW) to fat-free mass (FFM) in individual subjects, can be inaccurate in the presence of additive technical errors. We then proposed a new instrumental variables estimator that accurately estimates the HF parameter in the presence of such errors. In Monte Carlo simulations, the mean of the ratios of TBW to FFM was an inaccurate estimator of the HF parameter, and inferences based on it had actual type I error rates more than 13 times the nominal 0.05 level under certain conditions. The instrumental variables estimator was accurate and maintained an actual type I error rate close to the nominal level in all simulations. When estimating and performing inference on the HF parameter, the proposed instrumental variables estimator should yield accurate estimates and correct inferences in the presence of additive technical errors, but the mean of the ratios of TBW to FFM in individual subjects may not

  4. A New Method for Estimating the Coverage of Mass Vaccination Campaigns Against Poliomyelitis From Surveillance Data.

    Science.gov (United States)

    O'Reilly, K M; Cori, A; Durry, E; Wadood, M Z; Bosan, A; Aylward, R B; Grassly, N C

    2015-12-01

    Mass vaccination campaigns with the oral poliovirus vaccine targeting children aged poliomyelitis eradication effort. Monitoring the coverage of these campaigns is essential to allow corrective action, but current approaches are limited by their cross-sectional nature, nonrandom sampling, reporting biases, and accessibility issues. We describe a new Bayesian framework using data augmentation and Markov chain Monte Carlo methods to estimate variation in vaccination coverage from children's vaccination histories investigated during surveillance for acute flaccid paralysis. We tested the method using simulated data with at least 200 cases and were able to detect undervaccinated groups if they exceeded 10% of all children and temporal changes in coverage of ±10% with greater than 90% sensitivity. Application of the method to data from Pakistan for 2010-2011 identified undervaccinated groups within the Balochistan/Federally Administered Tribal Areas and Khyber Pakhtunkhwa regions, as well as temporal changes in coverage. The sizes of these groups are consistent with the multiple challenges faced by the program in these regions as a result of conflict and insecurity. Application of this new method to routinely collected data can be a useful tool for identifying poorly performing areas and assisting in eradication efforts. © The Author 2015. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health.

  5. Method of LSD profile asymmetry for estimating the center of mass velocities of pulsating stars

    Science.gov (United States)

    Britavskiy, N.; Pancino, E.; Tsymbal, V.; Romano, D.; Cacciari, C.; Clementini, C.

    2016-05-01

    We present radial velocity analysis for 20 solar neighborhood RR Lyrae and 3 Population II Cepheids. High-resolution spectra were observed with either TNG/SARG or VLT/UVES over varying phases. To estimate the center of mass (barycentric) velocities of the program stars, we utilized two independent methods. First, the 'classic' method was employed, which is based on RR Lyrae radial velocity curve templates. Second, we provide the new method that used absorption line profile asymmetry to determine both the pulsation and the barycentric velocities even with a low number of high-resolution spectra and in cases where the phase of the observations is uncertain. This new method is based on a least squares deconvolution (LSD) of the line profiles in order to an- alyze line asymmetry that occurs in the spectra of pulsating stars. By applying this method to our sample stars we attain accurate measurements (+- 2 kms^-1) of the pulsation component of the radial velocity. This results in determination of the barycentric velocity to within 5 kms^-1 even with a low number of high- resolution spectra. A detailed investigation of LSD profile asymmetry shows the variable nature of the project factor at different pulsation phases, which should be taken into account in the detailed spectroscopic analysis of pulsating stars.

  6. Lack of seasonal variation in bone mass and biochemical estimates of bone turnover

    International Nuclear Information System (INIS)

    Overgaard, K.; Nilas, L.; Johansen, J.S.; Christiansen, C.

    1988-01-01

    Three previous studies have indicated a seasonal variation in bone mineral content, with values during the summer being 1.7% to 7.5% higher than during the winter. We have examined the seasonal influence on both bone mass, biochemical estimates of bone turnover and vitamin D metabolites in 86 healthy women, aged 29-53 years. All participants were followed up for 2 years with examinations every 6 weeks or 3 months. Bone mineral content in the proximal and distal part of the forearm (single photon absorptiometry) did not reveal any significant seasonal variation, whereas bone mineral density of the lumbar spine (dual photon absorptiometry) indicated that the highest values occurred in winter. None of the biochemical parameters showed any statistically significant cyclical changes. Serum concentrations of 25-hydroxyvitamin D and 24,25-dihydroxyvitamin D3 showed a highly significant seasonal variation, whereas the serum 1,25-dihydroxyvitamin D concentration was virtually unchanged. We conclude that seasonal variation in bone mineral content and bone turnover should not be taken into account when interpreting data from longitudinal studies of healthy pre- and postmenopausal women on a sufficient vitamin D nutriture

  7. Estimation of mass transfer parameters in a Taylor-Couette-Poiseuille heterogeneous reactor

    Directory of Open Access Journals (Sweden)

    Resende M. M.

    2004-01-01

    Full Text Available A bench-scale, continuous vortex flow reactor (VFR, with a radius ratio, h, equal to 0.48 and an aspect ratio, G, equal to 11.19 was studied. This reactor may be used in the enzymatic hydrolysis of polypeptides obtained from sweet cheese whey with enzymes immobilized on agarose gel. Operational conditions were 2410 < Re q < 11793 and 30-min residence time for glycerol-water, 14% w/w, 27ºC (Re ax = 1.1 and for water, 38ºC (Re ax = 1.5. Residence time distributions (RTDs were obtained after pulse injections of different tracers (including dyed solid particles. Mass transfer coefficients of a lumped-parameter model of the reactor were estimated from these data. Model fitting to experimental data was accurate. Working conditions were selected so that transport properties of the fluids would be similar to the ones in the actual process at the final stages of whey hydrolysis.

  8. Padé approximation and glueball mass estimates in 3d and 4d with Nc=2,3 colors

    International Nuclear Information System (INIS)

    Dudal, D.; Guimaraes, M.S.; Sorella, S.P.

    2014-01-01

    A Padé approximation approach, rooted in an infrared moment technique, is employed to provide mass estimates for various glueball states in pure gauge theories. The main input in this analysis are theoretically well-motivated fits to lattice gluon propagator data, which are by now available for both SU(2) and SU(3) in 3 and 4 space–time dimensions. We construct appropriate gauge invariant and Lorentz covariant operators in the (pseudo)scalar and (pseudo)tensor sector. Our estimates compare reasonably well with a variety of lattice sources directly aimed at extracting glueball masses.

  9. Estimation of D-Arabinose by Gas Chromatography/Mass Spectrometry as Surrogate for Mycobacterial Lipoarabinomannan in Human Urine.

    Directory of Open Access Journals (Sweden)

    Prithwiraj De

    Full Text Available Globally, tuberculosis is slowly declining each year and it is estimated that 37 million lives were saved between 2000 and 2013 through effective diagnosis and treatment. Currently, diagnosis relies on demonstration of the bacteria, Mycobacterium tuberculosis (Mtb, in clinical specimens by serial sputum microscopy, culture and molecular testing. Commercial immunoassay lateral flow kits developed to detect Mtb lipoglycan lipoarabinomannan (LAM in urine as a marker of active TB exhibit poor sensitivity, especially in immunocompetent individuals, perhaps due to low abundance of the analyte. Our present study was designed to develop methods to validate the presence of LAM in a quantitative fashion in human urine samples obtained from culture-confirmed TB patients. Herein we describe, a consolidated approach for isolating LAM from the urine and quantifying D-arabinose as a proxy for LAM, using Gas Chromatography/Mass Spectrometry. 298 urine samples obtained from a repository were rigorously analyzed and shown to contain varying amounts of LAM-equivalent ranging between ~10-40 ng/mL. To further substantiate that D-arabinose detected in the samples originated from LAM, tuberculostearic acid, the unique 10-methyloctadecanoic acid present at the phosphatidylinositol end of LAM was also analyzed in a set of samples and found to be present confirming that the D-arabinose was indeed derived from LAM. Among the 144 samples from culture-negative TB suspects, 30 showed presence of D-arabinose suggesting another source of the analyte, such as disseminated TB or from non-tuberculosis mycobacterium. Our work validates that LAM is present in the urine samples of culture-positive patients in small but readily detectable amounts. The study further substantiates LAM in urine as a powerful biomarker for active tuberculosis.

  10. BLACK HOLE MASS ESTIMATES BASED ON C IV ARE CONSISTENT WITH THOSE BASED ON THE BALMER LINES

    Energy Technology Data Exchange (ETDEWEB)

    Assef, R. J.; Denney, K. D.; Kochanek, C. S.; Peterson, B. M.; Kozlowski, S.; Dietrich, M.; Grier, C. J.; Khan, R. [Department of Astronomy, The Ohio State University, 140 W. 18th Ave., Columbus, OH 43210 (United States); Ageorges, N.; Buschkamp, P.; Gemperlein, H.; Hofmann, R. [Max-Planck-Institut fuer Extraterrestrische Physik, Giessenbachstr., D-85748 Garching (Germany); Barrows, R. S. [Arkansas Center for Space and Planetary Sciences, University of Arkansas, Fayetteville, AR 72701 (United States); Falco, E.; Kilic, M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Feiz, C.; Germeroth, A. [Landessternwarte, ZAH, Koenigstuhl 12, D-69117 Heidelberg (Germany); Juette, M.; Knierim, V. [Astron. Institut der Ruhr Univ. Bochum, Universitaetsstr. 150, D-44780 Bochum (Germany); Laun, W., E-mail: rjassef@astronomy.ohio-state.edu [Max-Planck-Institut fuer Astronomie, Koenigstuhl 17, D-69117 Heidelberg (Germany); and others

    2011-12-01

    Using a sample of high-redshift lensed quasars from the CASTLES project with observed-frame ultraviolet or optical and near-infrared spectra, we have searched for possible biases between supermassive black hole (BH) mass estimates based on the C IV, H{alpha}, and H{beta} broad emission lines. Our sample is based upon that of Greene, Peng, and Ludwig, expanded with new near-IR spectroscopic observations, consistently analyzed high signal-to-noise ratio (S/N) optical spectra, and consistent continuum luminosity estimates at 5100 A. We find that BH mass estimates based on the full width at half-maximum (FWHM) of C IV show a systematic offset with respect to those obtained from the line dispersion, {sigma}{sub l}, of the same emission line, but not with those obtained from the FWHM of H{alpha} and H{beta}. The magnitude of the offset depends on the treatment of the He II and Fe II emission blended with C IV, but there is little scatter for any fixed measurement prescription. While we otherwise find no systematic offsets between C IV and Balmer line mass estimates, we do find that the residuals between them are strongly correlated with the ratio of the UV and optical continuum luminosities. This means that much of the dispersion in previous comparisons of C IV and H{beta} BH mass estimates are due to the continuum luminosities rather than to any properties of the lines. Removing this dependency reduces the scatter between the UV- and optical-based BH mass estimates by a factor of approximately two, from roughly 0.35 to 0.18 dex. The dispersion is smallest when comparing the C IV {sigma}{sub l} mass estimate, after removing the offset from the FWHM estimates, and either Balmer line mass estimate. The correlation with the continuum slope is likely due to a combination of reddening, host contamination, and object-dependent SED shapes. When we add additional heterogeneous measurements from the literature, the results are unchanged. Moreover, in a trial observation of a

  11. Atmospheric-pressure solution-cathode glow discharge: A versatile ion source for atomic and molecular mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, Andrew J. [Department of Chemistry, Indiana University, Bloomington, IN, 47405 (United States); Williams, Kelsey L. [Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 (United States); Hieftje, Gary M. [Department of Chemistry, Indiana University, Bloomington, IN, 47405 (United States); Shelley, Jacob T., E-mail: shellj@rpi.edu [Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 (United States); Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY, 12180 (United States)

    2017-01-15

    An atmospheric-pressure solution-cathode glow discharge (SCGD) has been evaluated as an ion source for atomic, molecular, and ambient desorption/ionization mass spectrometry. The SCGD consists of a direct-current plasma, supported in the ambient air in the absence of gas flows, and sustained upon the surface of a flowing liquid cathode. Analytes introduced in the flowing liquid, as an ambient gas, or as a solid held near the plasma are vaporized and ionized by interactions within or near the discharge. Introduction of acidic solutions containing metal salts produced bare elemental ions as well as H{sub 2}O, OH{sup −} and NO{sub 3}{sup −} adducts. Detection limits for these elemental species ranged from 0.1 to 4 ppb, working curves spanned more than 4 orders of linear dynamic range, and precision varied between 5 and 16% relative standard deviation. Small organic molecules were also efficiently ionized from solution, and both the intact molecular ion and fragments were observed in the resulting SCGD mass spectra. Fragmentation of molecular species was found to be tunable; high discharge currents led to harder ionization, while low discharge currents produced stronger molecular-ion signals. Ambient gases and solids, desorbed by the plasma from a glass probe, were also readily ionized by the SCGD. Indeed, strong analyte signals were obtained from solid samples placed at least 2 cm from the plasma. These findings indicate that the SCGD might be useful also for ambient desorption/ionization mass spectrometry. Combined with earlier results that showed the SCGD is useful for ionization of labile biomolecules, the results here indicate that the SCGD is a highly versatile ion source capable of providing both elemental and molecular mass-spectral information. - Highlights: • Solution-cathode glow discharge used as an ionization source for mass spectrometry. • SCGD-MS can provide atomic as well as intact molecular mass spectra. • Atomic limits of detection range

  12. Fat Mass Is Positively Associated with Estimated Hip Bone Strength among Chinese Men Aged 50 Years and above with Low Levels of Lean Mass.

    Science.gov (United States)

    Han, Guiyuan; Chen, Yu-Ming; Huang, Hua; Chen, Zhanyong; Jing, Lipeng; Xiao, Su-Mei

    2017-04-24

    This study investigated the relationships of fat mass (FM) and lean mass (LM) with estimated hip bone strength in Chinese men aged 50-80 years (median value: 62.0 years). A cross-sectional study including 889 men was conducted in Guangzhou, China. Body composition and hip bone parameters were generated by dual-energy X-ray absorptiometry (DXA). The relationships of the LM index (LMI) and the FM index (FMI) with bone phenotypes were detected by generalised additive models and multiple linear regression. The associations between the FMI and the bone variables in LMI tertiles were further analysed. The FMI possessed a linear relationship with greater estimated hip bone strength after adjustment for the potential confounders ( p maintenance of adequate FM could help to promote bone acquisition in relatively thin men.

  13. VIRIAL BLACK HOLE MASS ESTIMATES FOR 280,000 AGNs FROM THE SDSS BROADBAND PHOTOMETRY AND SINGLE-EPOCH SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Kozłowski, Szymon, E-mail: simkoz@astrouw.edu.pl [Warsaw University Observatory, Al. Ujazdowskie, 4 00-478 Warszawa (Poland)

    2017-01-01

    We use the Sloan Digital Sky Survey (SDSS) Quasar Data Release 12 (DR12Q), containing nearly 300,000 active galactic nuclei (AGNs), to calculate the monochromatic luminosities at 5100, 3000, and 1350 Å, derived from the broadband extinction-corrected SDSS magnitudes. After matching these sources to their counterparts from the SDSS Quasar Data Release 7 (DR7Q), we find very high correlations between our luminosities and DR7Q spectra-based luminosities with minute mean offsets (∼0.01 dex) and dispersions of differences of 0.11, 0.10, and 0.12 dex, respectively, across a luminosity range of 2.5 dex. We then estimate the black hole (BH) masses of the AGNs using the broad line region radius–disk luminosity relations and the FWHM of the Mg ii and C iv emission lines, to provide a catalog of 283,033 virial BH mass estimates (132,451 for Mg ii, 213,071 for C iv, and 62,489 for both) along with the estimates of the bolometric luminosity and Eddington ratio for 0.1 <  z  < 5.5 and for roughly a quarter of the sky covered by SDSS. The BH mass estimates from Mg ii turned out to be closely matched to the ones from DR7Q with a dispersion of differences of 0.34 dex across a BH mass range of ∼2 dex. We uncovered a bias in the derived C iv FWHMs from DR12Q as compared to DR7Q, which we correct empirically. The C iv BH mass estimates should be used with caution because the C iv line is known to cause problems in the estimation of BH mass from single-epoch spectra. Finally, after the FWHM correction, the AGN BH mass estimates from C iv closely match the DR7Q ones (with a dispersion of 0.28 dex), and more importantly the Mg ii and C iv BH masses agree internally with a mean offset of 0.07 dex and a dispersion of 0.39 dex.

  14. Comparison of LAMP and PCR for molecular mass screening of sand flies for Leishmania martiniquensis infection.

    Science.gov (United States)

    Tiwananthagorn, Saruda; Kato, Hirotomo; Yeewa, Ranchana; Muengpan, Amontip; Polseela, Raxsina; Leelayoova, Saovanee

    2017-02-01

    Leishmaniasis caused by Leishmania martiniquensis infection has been reported in human and domestic animals of Martinique Island, Germany, Switzerland, USA, Myanmar and Thailand. The peculiar clinical features of disseminated cutaneous and visceral forms co-existence render the urgent need of specific diagnostic tool to identify the natural sand fly vectors for effective prevention and control strategies. Loop-mediated isothermal amplification (LAMP) of 18S rRNA gene as well as polymerase chain reaction (PCR) of minicircle kinetoplast DNA gene (PCR-mkDNA) have never been applied to detect L. martiniquensis and L. siamensis in sand fly vectors. The present study was aimed to validate malachite green-LAMP (MG-LAMP) and PCR-mkDNA techniques to detect L. martiniquensis in sand fly vectors, compared with the conventional PCR of internal transcribed spacer 1 (PCR-ITS1). We compared the validity of LAMP of 18S rRNA gene and PCR-mkDNA, to PCR-ITS1 in simulation model of L. martiniquensis infection in Sergentomyia gemmea sand flies. Attributable to the sensitivity and specificity, PCR-mkDNA was consecutively applied to detect L. martiniquensis in 380 female sand fly individuals captured in the newly identified affected region of Lamphun Province, Thailand. Results showed that PCR-mkDNA could detect at least one promastigote per sand fly, which was 10-time superior to LAMP and PCR-ITS1. In addition, PCR-mkDNA was more specific, able to differentiate L. martiniquensis from other viscerotropic Leishmania species, such as L. siamensis, L. (L.) donovani, and L. (L.) infantum. Consecutively, mass screening of L. martiniquensis in 380 female sand fly individuals by PCR-mkDNA was implemented in a new affected area of Thailand where a patient with leishmaniasis/HIV co-infection resides; however Leishmania DNA was undetected. In conclusion, PCR-mkDNA is a promising tool for molecular mass screening of L. martiniquensis infection in outbreak areas where several species of Leishmania

  15. Comparison of LAMP and PCR for molecular mass screening of sand flies for Leishmania martiniquensis infection

    Science.gov (United States)

    Tiwananthagorn, Saruda; Kato, Hirotomo; Yeewa, Ranchana; Muengpan, Amontip; Polseela, Raxsina; Leelayoova, Saovanee

    2017-01-01

    BACKGROUND Leishmaniasis caused by Leishmania martiniquensis infection has been reported in human and domestic animals of Martinique Island, Germany, Switzerland, USA, Myanmar and Thailand. The peculiar clinical features of disseminated cutaneous and visceral forms co-existence render the urgent need of specific diagnostic tool to identify the natural sand fly vectors for effective prevention and control strategies. Loop-mediated isothermal amplification (LAMP) of 18S rRNA gene as well as polymerase chain reaction (PCR) of minicircle kinetoplast DNA gene (PCR-mkDNA) have never been applied to detect L. martiniquensis and L. siamensis in sand fly vectors. OBJECTIVE The present study was aimed to validate malachite green-LAMP (MG-LAMP) and PCR-mkDNA techniques to detect L. martiniquensis in sand fly vectors, compared with the conventional PCR of internal transcribed spacer 1 (PCR-ITS1). METHODS We compared the validity of LAMP of 18S rRNA gene and PCR-mkDNA, to PCR-ITS1 in simulation model of L. martiniquensis infection in Sergentomyia gemmea sand flies. Attributable to the sensitivity and specificity, PCR-mkDNA was consecutively applied to detect L. martiniquensis in 380 female sand fly individuals captured in the newly identified affected region of Lamphun Province, Thailand. FINDINGS AND MAIN CONCLUSIONS Results showed that PCR-mkDNA could detect at least one promastigote per sand fly, which was 10-time superior to LAMP and PCR-ITS1. In addition, PCR-mkDNA was more specific, able to differentiate L. martiniquensis from other viscerotropic Leishmania species, such as L. siamensis, L. (L.) donovani, and L. (L.) infantum. Consecutively, mass screening of L. martiniquensis in 380 female sand fly individuals by PCR-mkDNA was implemented in a new affected area of Thailand where a patient with leishmaniasis/HIV co-infection resides; however Leishmania DNA was undetected. In conclusion, PCR-mkDNA is a promising tool for molecular mass screening of L. martiniquensis

  16. Molecular cloning, structural analysis and mass spectrometric identification of native dioscorins of various yam species.

    Science.gov (United States)

    Tsai, Wei-Yi; Jheng, Yi-Jyun; Chen, Kuo-Hsuan; Lin, Kuo-Wei; Ho, Yen-Pen; Yang, Ching-Chi; Lin, Kuo-Chih

    2013-03-15

    Dioscorins are the major storage proteins of yam tubers. However, the molecular nature of their heterogeneity in tubers has not been fully elucidated. In this study the authors isolated the dioscorin gene families of Dioscorea japonica and Dioscorea pseudojaponica, performed matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry (MALDI-TOF-MS) and elucidated which dioscorin isoforms are the major constituents in tubers. The dioscorin gene families of D. japonica (Dj-dioA1-Dj-dioA4, Dj-dioB1 and Dj-dioB2) and D. pseudojaponica (Dp-dioA1-Dp-dioA5 and Dp-dioB1) were cloned from cDNA libraries of yam tubers. The dioscorins isolated from Dioscorea alata (Da-dioscorins), D. japonica (Dj-dioscorins) and D. pseudojaponica (Dp-dioscorins) were mainly monomers, with a few dimers. The monomers contained one intramolecular disulfide bond (Cys(28)-Cys(187)) and belonged to Class A dioscorins with two cysteine residues. The dimers consisted of Class B dioscorins with one intermolecular disulfide bond (Cys(40)-Cys(40)). Results of MALDI-TOF-MS revealed that the Da-dioscorins were mainly encoded by Da-dioA2, Da-dioA3 and Da-dioA4. The majority of the Dj-dioscorins were encoded by Dj-dioA1, Dj-dioA2, Dj-dioA3 and Dj-dioB2. The Dp-dioscorins mainly comprised proteins encoded by Dp-dioA1, Dp-dioA3, Dp-dioA4, Dp-dioB1 and Dp-dioB2. Determination of the constituents of dioscorin isoforms in yam tubers provides a basis for future studies of their physiological and biomedical functions. © 2012 Society of Chemical Industry.

  17. Influence of the ozone profile above Madrid (Spain) on Brewer estimation of ozone air mass factor

    Energy Technology Data Exchange (ETDEWEB)

    Anton, M. [Univ. de Extremadura, Badajoz (Spain). Dept. de Fisica; Evora Univ. (PT). Goephysics Centre of Evora (CGE); Lopez, M.; Banon, M. [Agenica Estatal de Meteorologia (AEMET), Madrid (Spain); Costa, M.J.; Silva, A.M. [Evora Univ. (PT). Goephysics Centre of Evora (CGE); Evora Univ. (Portugal). Dept. of Physics; Serrano, A. [Univ. de Extremadura, Badajoz (Spain). Dept. de Fisica; Bortoli, D. [Evora Univ. (PT). Goephysics Centre of Evora (CGE); Vilaplana, J.M. [Instituto Nacional de Tecnica Aeroespacial (INTA), Huelva (Spain). Estacion de Sondeos Atmosferico ' ' El Arenosillo' '

    2009-07-01

    The methodology used by Brewer spectroradiometers to estimate the ozone column is based on differential absorption spectroscopy. This methodology employs the ozone air mass factor (AMF) to derive the total ozone column from the slant path ozone amount. For the calculating the ozone AMF, the Brewer algorithm assumes that the ozone layer is located at a fixed height of 22 km. However, for a real specific site the ozone presents a certain profile, which varies spatially and temporally depending on the latitude, altitude and dynamical conditions of the atmosphere above the site of measurements. In this sense, this work address the reliability of the mentioned assumption and analyses the influence of the ozone profiles measured above Madrid (Spain) in the ozone AMF calculations. The approximated ozone AMF used by the Brewer algorithm is compared with simulations obtained using the libRadtran radiative transfer model code. The results show an excellent agreement between the simulated and the approximated AMF values for solar zenith angle lower than 75 . In addition, the relative differences remain lower than 2% at 85 . These good results are mainly due to the fact that the altitude of the ozone layer assumed constant by the Brewer algorithm for all latitudes notably can be considered representative of the real profile of ozone above Madrid (average value of 21.7{+-}1.8 km). The operational ozone AMF calculations for Brewer instruments are limited, in general, to SZA below 80 . Extending the usable SZA range is especially relevant for Brewer instruments located at high mid-latitudes. (orig.)

  18. In vitro estimation of rumen protein degradability using 35S to label the bacterial mass

    International Nuclear Information System (INIS)

    Khristov, A.; Aleksandrov, S.; Aleksiev, I.

    1994-01-01

    An experiment was carried out in order to simplify a previously developed 15 N-method for in vitro estimation of rumen protein degradability. Casein (Cas), whole soybeans (Sb) heated at 120 o C for 20 min (SbTherm) and sunflower (Sfl) were incubated at 39 o C for 4 hours in a water bathshaker with the following media: McDougall's buffer, strained and enriched with particle associated bacteria rumen fluid (2:1), rapidly (maltose, sucrose, glucose) and more slowly (pectin, soluble starch) degradable carbohydrates with final concentration of 815 mg/100 ml and 21.7 μCi/100 ml of 35 S (from Na 2 35 SO 4 ). After the incubation had been ceased, a bacterial fraction was isolated through differential centrifugation and specific activity of bacterial (Bac) and high speed total solids (TS) nitrogen was measured. The ratio was used to calculate bacterial mass in TS and through the Kjeldahl nitrogen concentration in TS - the net bacterial growth (against control vessels without protein). The level of ammonia-N in the supernate after blank correction was used to find the ammonia-N released from protein degradation. The data showed that the rate (and extend) of degradation for the Cas (as a standard protein) was lower compared to those obtained through the 15 N-method but it was higher than the rate derived through another in vitro method. The Cas equivalent of the Sb was higher than the figure we found in a previous experiment with solvent extracted soybean meal suggesting that the 35 S-method underestimated the degradability of the Cas. After being tested on a wider range of foodstuffs, the proposed 35 S-method might be considered as an alternative procedure which is less laborous than the 15 N-method. (author)

  19. Analytical Approach for Estimating Preliminary Mass of ARES I Crew Launch Vehicle Upper Stage Structural Components

    Science.gov (United States)

    Aggarwal, Pravin

    2007-01-01

    electrical power functions to other Elements of the CLV, is included as secondary structure. The MSFC has an overall responsibility for the integrated US element as well as structural design an thermal control of the fuel tanks, intertank, interstage, avionics, main propulsion system, Reaction Control System (RCS) for both the Upper Stage and the First Stage. MSFC's Spacecraft and Vehicle Department, Structural and Analysis Design Division is developing a set of predicted mass of these elements. This paper details the methodology, criterion and tools used for the preliminary mass predictions of the upper stage structural assembly components. In general, weight of the cylindrical barrel sections are estimated using the commercial code Hypersizer, whereas, weight of the domes are developed using classical solutions. HyperSizer is software that performs automated structural analysis and sizing optimization based on aerospace methods for strength, stability, and stiffness. Analysis methods range from closed form, traditional hand calculations repeated every day in industry to more advanced panel buckling algorithms. Margin-of-safety reporting for every potential failure provides the engineer with a powerful insight into the structural problem. Optimization capabilities include finding minimum weight panel or beam concepts, material selections, cross sectional dimensions, thicknesses, and lay-ups from a library of 40 different stiffened and sandwich designs and a database of composite, metallic, honeycomb, and foam materials. Multiple different concepts (orthogrid, isogrid, and skin stiffener) were run for multiple loading combinations of ascent design load with and with out tank pressure as well as proof pressure condition. Subsequently, selected optimized concept obtained from Hypersizer runs was translated into a computer aid design (CAD) model to account for the wall thickness tolerance, weld land etc for developing the most probable weight of the components. The flow diram

  20. Simultaneous determination of albumin and low-molecular-mass thiols in plasma by HPLC with UV detection.

    Science.gov (United States)

    Borowczyk, Kamila; Wyszczelska-Rokiel, Monika; Kubalczyk, Paweł; Głowacki, Rafał

    2015-02-15

    In this paper, we describe a simple and robust HPLC based method for determination of total low- and high-molecular-mass thiols, protein S-linked thiols and reduced albumin in plasma. The method is based on derivatization of analytes with 2-chloro-1-methylquinolinium tetrafluoroborate, separation and quantification by reversed-phase liquid chromatography followed by UV detection. Disulfides were converted to their thiol counterparts by reductive cleavage with tris(2-carboxyethyl)phosphine. Linearity in detector response for total thiols was observed over the range of 1-40 μmol L(-1) for Hcy and glutathione (GSH), 5-100 μmol L(-1) for Cys-Gly, 20-300 μmol L(-1) for Cys and 3.1-37.5 μmol L(-1) (0.2-2.4gL(-1)) for human serum albumin (HSA). For the protein S-bound forms these values were as follows: 0.5-30 μmol L(-1) for Hcy and GSH, 2.5-60 μmol L(-1) for Cys-Gly and 5-200 μmol L(-1) for Cys. The LOQs for total HSA, Cys, Hcy, Cys-Gly and GSH were 0.5, 0.2, 0.4, 0.3 and 0.4 μmol L(-1), respectively. The estimated validation parameters for all analytes are more than sufficient to allow the analytical method to be used for monitoring of the total and protein bound thiols as well as redox status of HSA in plasma. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Measuring galaxy cluster masses with CMB lensing using a Maximum Likelihood estimator: statistical and systematic error budgets for future experiments

    Energy Technology Data Exchange (ETDEWEB)

    Raghunathan, Srinivasan; Patil, Sanjaykumar; Bianchini, Federico; Reichardt, Christian L. [School of Physics, University of Melbourne, 313 David Caro building, Swanston St and Tin Alley, Parkville VIC 3010 (Australia); Baxter, Eric J. [Department of Physics and Astronomy, University of Pennsylvania, 209 S. 33rd Street, Philadelphia, PA 19104 (United States); Bleem, Lindsey E. [Argonne National Laboratory, High-Energy Physics Division, 9700 S. Cass Avenue, Argonne, IL 60439 (United States); Crawford, Thomas M. [Kavli Institute for Cosmological Physics, University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637 (United States); Holder, Gilbert P. [Department of Astronomy and Department of Physics, University of Illinois, 1002 West Green St., Urbana, IL 61801 (United States); Manzotti, Alessandro, E-mail: srinivasan.raghunathan@unimelb.edu.au, E-mail: s.patil2@student.unimelb.edu.au, E-mail: ebax@sas.upenn.edu, E-mail: federico.bianchini@unimelb.edu.au, E-mail: bleeml@uchicago.edu, E-mail: tcrawfor@kicp.uchicago.edu, E-mail: gholder@illinois.edu, E-mail: manzotti@uchicago.edu, E-mail: christian.reichardt@unimelb.edu.au [Department of Astronomy and Astrophysics, University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637 (United States)

    2017-08-01

    We develop a Maximum Likelihood estimator (MLE) to measure the masses of galaxy clusters through the impact of gravitational lensing on the temperature and polarization anisotropies of the cosmic microwave background (CMB). We show that, at low noise levels in temperature, this optimal estimator outperforms the standard quadratic estimator by a factor of two. For polarization, we show that the Stokes Q/U maps can be used instead of the traditional E- and B-mode maps without losing information. We test and quantify the bias in the recovered lensing mass for a comprehensive list of potential systematic errors. Using realistic simulations, we examine the cluster mass uncertainties from CMB-cluster lensing as a function of an experiment's beam size and noise level. We predict the cluster mass uncertainties will be 3 - 6% for SPT-3G, AdvACT, and Simons Array experiments with 10,000 clusters and less than 1% for the CMB-S4 experiment with a sample containing 100,000 clusters. The mass constraints from CMB polarization are very sensitive to the experimental beam size and map noise level: for a factor of three reduction in either the beam size or noise level, the lensing signal-to-noise improves by roughly a factor of two.

  2. Statistically optimal estimation of Greenland Ice Sheet mass variations from GRACE monthly solutions using an improved mascon approach

    Science.gov (United States)

    Ran, J.; Ditmar, P.; Klees, R.; Farahani, H. H.

    2018-03-01

    We present an improved mascon approach to transform monthly spherical harmonic solutions based on GRACE satellite data into mass anomaly estimates in Greenland. The GRACE-based spherical harmonic coefficients are used to synthesize gravity anomalies at satellite altitude, which are then inverted into mass anomalies per mascon. The limited spectral content of the gravity anomalies is properly accounted for by applying a low-pass filter as part of the inversion procedure to make the functional model spectrally consistent with the data. The full error covariance matrices of the monthly GRACE solutions are properly propagated using the law of covariance propagation. Using numerical experiments, we demonstrate the importance of a proper data weighting and of the spectral consistency between functional model and data. The developed methodology is applied to process real GRACE level-2 data (CSR RL05). The obtained mass anomaly estimates are integrated over five drainage systems, as well as over entire Greenland. We find that the statistically optimal data weighting reduces random noise by 35-69%, depending on the drainage system. The obtained mass anomaly time-series are de-trended to eliminate the contribution of ice discharge and are compared with de-trended surface mass balance (SMB) time-series computed with the Regional Atmospheric Climate Model (RACMO 2.3). We show that when using a statistically optimal data weighting in GRACE data processing, the discrepancies between GRACE-based estimates of SMB and modelled SMB are reduced by 24-47%.

  3. Improved GRACE regional mass balance estimates of the Greenland ice sheet cross-validated with the input-output method

    NARCIS (Netherlands)

    Xu, Zheng; Schrama, Ernst J. O.; van der Wal, Wouter; van den Broeke, Michiel; Enderlin, Ellyn M.

    2016-01-01

    In this study, we use satellite gravimetry data from the Gravity Recovery and Climate Experiment (GRACE) to estimate regional mass change of the Greenland ice sheet (GrIS) and neighboring glaciated regions using a least squares inversion approach. We also consider results from the input–output

  4. Improved GRACE regional mass balance estimates of the Greenland ice sheet cross-validated with the input–output method

    NARCIS (Netherlands)

    Xu, Z.; Schrama, E.J.O.; van der Wal, W.; van den Broeke, MR; Enderlin, EM

    2016-01-01

    In this study, we use satellite gravimetry data from the Gravity Recovery and Climate Experiment (GRACE) to estimate regional mass change of the Greenland ice sheet (GrIS) and neighboring glaciated regions using a least squares inversion approach. We also consider results from the input–output

  5. Statistically optimal estimation of Greenland Ice Sheet mass variations from GRACE monthly solutions using an improved mascon approach

    NARCIS (Netherlands)

    Ran, J.; Ditmar, P.G.; Klees, R.; Farahani, H.

    2017-01-01

    We present an improved mascon approach to transform monthly spherical harmonic solutions based on GRACE satellite data into mass anomaly estimates in Greenland. The GRACE-based spherical harmonic coefficients are used to synthesize gravity anomalies at satellite altitude, which are then inverted

  6. Ratios of regioisomers of minor acylglycerols less polar than triricinolein in castor oil estimated by mass spectrometry (Abstract)

    Science.gov (United States)

    The ratios of regioisomers of triacylglycerols (TAG) have been estimated by mass spectrometry using the fact that the neutral loss of fatty acid (FA) from the sn-2 position is energetically less favored in comparison with that from sn-1,3 positions. However regioisomeric TAG standards were needed fo...

  7. Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.

    Science.gov (United States)

    Mollica, Luca; Theret, Isabelle; Antoine, Mathias; Perron-Sierra, Françoise; Charton, Yves; Fourquez, Jean-Marie; Wierzbicki, Michel; Boutin, Jean A; Ferry, Gilles; Decherchi, Sergio; Bottegoni, Giovanni; Ducrot, Pierre; Cavalli, Andrea

    2016-08-11

    Ligand-target residence time is emerging as a key drug discovery parameter because it can reliably predict drug efficacy in vivo. Experimental approaches to binding and unbinding kinetics are nowadays available, but we still lack reliable computational tools for predicting kinetics and residence time. Most attempts have been based on brute-force molecular dynamics (MD) simulations, which are CPU-demanding and not yet particularly accurate. We recently reported a new scaled-MD-based protocol, which showed potential for residence time prediction in drug discovery. Here, we further challenged our procedure's predictive ability by applying our methodology to a series of glucokinase activators that could be useful for treating type 2 diabetes mellitus. We combined scaled MD with experimental kinetics measurements and X-ray crystallography, promptly checking the protocol's reliability by directly comparing computational predictions and experimental measures. The good agreement highlights the potential of our scaled-MD-based approach as an innovative method for computationally estimating and predicting drug residence times.

  8. Dose estimate of exposure to radioisotopes in molecular and cellular biology

    International Nuclear Information System (INIS)

    Onado, C.; Faretta, M.; Ubezio, P.

    1999-01-01

    A method for prospectively evaluating the annual equivalent doses and effective dose to biomedical researchers working with unsealed radioisotopes, and their classification, is presented here. Simplified formulae relate occupational data to a reasonable overestimate of the annual effective dose, and the equivalent doses to the hands and to the skin. The procedure, up to the classification of personnel and laboratories, can be made fully automatic, using a common spreadsheet on a personal computer. The method is based on occupational data, accounting for the amounts of each radioisotope used by a researcher, the time of exposure and the overall amounts employed in the laboratories where experiments are performed. The former data serve to forecast a contribution to the dose arising from a researcher's own work, the latter to a forecast of an 'environmental' contribution deriving simply from the presence in a laboratory where other people are working with radioisotopes. The estimates of the doses due to one's own radioisotope handling and to 'environment' were corrected for accidental exposure, considered as a linear function of the manipulated activity or of the time spent in the laboratories respectively, and summed up to give the effective dose. The effective dose associated with some common experiments in molecular and cellular biology is pre-evaluated by this method. (author)

  9. Estimation of groundwater recharge using the chloride mass-balance method, Pingtung Plain, Taiwan

    Science.gov (United States)

    Ting, Cheh-Shyh; Kerh, Tienfuan; Liao, Chiu-Jung

    Due to rapid economic growth in the Pingtung Plain of Taiwan, the use of groundwater resources has changed dramatically. Over-pumping of the groundwater reservoir, which lowers hydraulic heads in the aquifers, is not only affecting the coastal area negatively but has serious consequences for agriculture throughout the plain. In order to determine the safe yield of the aquifer underlying the plain, a reliable estimate of groundwater recharge is desirable. In the present study, for the first time, the chloride mass-balance method is adopted to estimate groundwater recharge in the plain. Four sites in the central part were chosen to facilitate the estimations using the ion-chromatograph and Thiessen polygon-weighting methods. Based on the measured and calculated results, in all sites, including the mountain and river boundaries, recharge to the groundwater is probably 15% of the annual rainfall, excluding recharge from additional irrigation water. This information can improve the accuracy of future groundwater-simulation and management models in the plain. Résumé Du fait de la croissance économique rapide de la plaine de Pingtung à Taiwan, l'utilisation des ressources en eau souterraine s'est considérablement modifié. La surexploitation des aquifères, qui a abaissé le niveau des nappes, n'affecte pas seulement la région côtière, mais a de sérieuses répercutions sur l'agriculture dans toute la plaine. Afin de déterminer les ressources renouvelables de l'aquifère sous la plaine, une estimation précise de la recharge de la nappe est nécessaire. Dans cette étude, le taux de recharge de la nappe a d'abord été estimé au moyen d'un bilan de matière de chlorure. Quatre sites de la partie centrale ont été sélectionnés pour réaliser ces estimations, à l'aide d'un chromatographe ionique et de la méthode des polygones de Thiessen. A partir des résultats mesurés et calculés, à chaque site, et en prenant comme limites les montagnes et les rivi

  10. BLACK HOLE MASS ESTIMATES AND RAPID GROWTH OF SUPERMASSIVE BLACK HOLES IN LUMINOUS z ∼ 3.5 QUASARS

    Energy Technology Data Exchange (ETDEWEB)

    Zuo, Wenwen; Wu, Xue-Bing [Department of Astronomy, School of Physics, Peking University, Beijing 100871 (China); Fan, Xiaohui; Green, Richard [Steward Observatory, The University of Arizona, Tucson, AZ 85721 (United States); Wang, Ran [Kavli Institute for Astronomy and Astrophysics, Peking University, Beijing 100871 (China); Bian, Fuyan [Research School of Astronomy and Astrophysics, Mount Stromlo Observatory, Cotter Road, Weston ACT 2611 (Australia)

    2015-02-01

    We present new near-infrared (IR) observations of the Hβ λ4861 and Mg II λ2798 lines for 32 luminous quasars with 3.2 < z < 3.9 using the Palomar Hale 200 inch telescope and the Large Binocular Telescope. We find that the Mg II FWHM is well correlated with the Hβ FWHM, confirming itself as a good substitute for the Hβ FWHM in the black hole mass estimates. The continuum luminosity at 5100 Å well correlates with the continuum luminosity at 3000 Å and the broad emission line luminosities (Hβ and Mg II). With simultaneous near-IR spectroscopy of the Hβ and Mg II lines to exclude the influences of flux variability, we are able to evaluate the reliability of estimating black hole masses based on the Mg II line for high redshift quasars. With the reliable Hβ line based black hole mass and Eddington ratio estimates, we find that the z ∼ 3.5 quasars in our sample have black hole masses 1.90 × 10{sup 9} M {sub ☉} ≲ M {sub BH} ≲ 1.37 × 10{sup 10} M {sub ☉}, with a median of ∼5.14 × 10{sup 9} M {sub ☉} and are accreting at Eddington ratios between 0.30 and 3.05, with a median of ∼1.12. Assuming a duty cycle of 1 and a seed black hole mass of 10{sup 4} M {sub ☉}, we show that the z ∼ 3.5 quasars in this sample can grow to their estimated black hole masses within the age of the universe at their redshifts.

  11. Molecular composition of organic aerosols in central Amazonia: an ultra-high-resolution mass spectrometry study

    OpenAIRE

    Kourtchev, I; Godoi, RHM; Connors, S; Levine, JG; Archibald, AT; Godoi, AFL; Paralovo, SL; Barbosa, CGG; Souza, RAF; Manzi, AO; Seco, R; Sjostedt, S; Park, J-H; Guenther, A; Kim, S

    2016-01-01

    The Amazon Basin plays key role in atmospheric chemistry, biodiversity and climate change. In this study we applied nanoelectrospray (nanoESI) ultra-high-resolution mass spectrometry (UHRMS) for the analysis of the organic fraction of PM$_{2.5}$ aerosol samples collected during dry and wet seasons at a site in central Amazonia receiving background air masses, biomass burning and urban pollution. Comprehensive mass spectral data evaluation methods (e.g. Kendrick mass defect, Van Krevelen diagr...

  12. TWO MASS DISTRIBUTIONS IN THE L 1641 MOLECULAR CLOUDS: THE HERSCHEL CONNECTION OF DENSE CORES AND FILAMENTS IN ORION A

    International Nuclear Information System (INIS)

    Polychroni, D.; Schisano, E.; Elia, D.; Molinari, S.; Turrini, D.; Rygl, K. L. J.; Benedettini, M.; Busquet, G.; Di Giorgio, A. M.; Pestalozzi, M.; Pezzuto, S.; Roy, A.; André, Ph.; Hennemann, M.; Hill, T.; Könyves, V.; Martin, P.; Di Francesco, J.; Arzoumanian, D.; Bontemps, S.

    2013-01-01

    We present Herschel survey maps of the L 1641 molecular clouds in Orion A. We extracted both the filaments and dense cores in the region. We identified which of the dense sources are proto- or pre-stellar, and studied their association with the identified filaments. We find that although most (71%) of the pre-stellar sources are located on filaments there, is still a significant fraction of sources not associated with such structures. We find that these two populations (on and off the identified filaments) have distinctly different mass distributions. The mass distribution of the sources on the filaments is found to peak at 4 M ☉ and drives the shape of the core mass function (CMF) at higher masses, which we fit with a power law of the form dN/dlogM∝M –1.4±0.4 . The mass distribution of the sources off the filaments, on the other hand, peaks at 0.8 M ☉ and leads to a flattening of the CMF at masses lower than ∼4 M ☉ . We postulate that this difference between the mass distributions is due to the higher proportion of gas that is available in the filaments, rather than in the diffuse cloud

  13. TWO MASS DISTRIBUTIONS IN THE L 1641 MOLECULAR CLOUDS: THE HERSCHEL CONNECTION OF DENSE CORES AND FILAMENTS IN ORION A

    Energy Technology Data Exchange (ETDEWEB)

    Polychroni, D. [Department of Astrophysics, University of Athens, Astronomy and Mechanics, Faculty of Physics, Panepistimiopolis, 15784 Zografos, Athens (Greece); Schisano, E.; Elia, D.; Molinari, S.; Turrini, D.; Rygl, K. L. J.; Benedettini, M.; Busquet, G.; Di Giorgio, A. M.; Pestalozzi, M.; Pezzuto, S. [Istituto di Astrofisica e Planetologia Spaziali (INAF-IAPS), via del Fosso del Cavaliere 100, I-00133 Roma (Italy); Roy, A.; André, Ph.; Hennemann, M.; Hill, T.; Könyves, V. [Laboratoire AIM, CEA/IRFU CNRS/INSU Université Paris Diderot, Paris-Saclay, F-91191 Gif-sur-Yvette (France); Martin, P. [Canadian Institute for Theoretical Astrophysics, University of Toronto, 60 St. George Street, Toronto, ON M5S 3H8 (Canada); Di Francesco, J. [National Research Council Canada, 5071 West Saanich Road, Victoria, BC V9E 2E7 (Canada); Arzoumanian, D. [IAS, CNRS (UMR 8617), Université Paris-Sud, Bâtiment 121, F-91400 Orsay (France); Bontemps, S., E-mail: dpolychroni@phys.uoa.gr [Université de Bordeaux, Laboratoire d' Astrophysique de Bordeaux, CNRS/INSU, UMR 5804, BP 89, F-33271, Floirac Cedex (France); and others

    2013-11-10

    We present Herschel survey maps of the L 1641 molecular clouds in Orion A. We extracted both the filaments and dense cores in the region. We identified which of the dense sources are proto- or pre-stellar, and studied their association with the identified filaments. We find that although most (71%) of the pre-stellar sources are located on filaments there, is still a significant fraction of sources not associated with such structures. We find that these two populations (on and off the identified filaments) have distinctly different mass distributions. The mass distribution of the sources on the filaments is found to peak at 4 M {sub ☉} and drives the shape of the core mass function (CMF) at higher masses, which we fit with a power law of the form dN/dlogM∝M {sup –1.4±0.4}. The mass distribution of the sources off the filaments, on the other hand, peaks at 0.8 M {sub ☉} and leads to a flattening of the CMF at masses lower than ∼4 M {sub ☉}. We postulate that this difference between the mass distributions is due to the higher proportion of gas that is available in the filaments, rather than in the diffuse cloud.

  14. Molecular formulae of marine and terrigenous dissolved organic matter detected by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

    Science.gov (United States)

    Koch, Boris P.; Witt, Matthias; Engbrodt, Ralph; Dittmar, Thorsten; Kattner, Gerhard

    2005-07-01

    The chemical structure of refractory marine dissolved organic matter (DOM) is still largely unknown. Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR-MS) was used to resolve the complex mixtures of DOM and provide valuable information on elemental compositions on a molecular scale. We characterized and compared DOM from two sharply contrasting aquatic environments, algal-derived DOM from the Weddell Sea (Antarctica) and terrigenous DOM from pore water of a tropical mangrove area in northern Brazil. Several thousand molecular formulas in the mass range of 300-600 Da were identified and reproduced in element ratio plots. On the basis of molecular elemental composition and double-bond equivalents (DBE) we calculated an average composition for marine DOM. O/C ratios in the marine samples were lower (0.36 ± 0.01) than in the mangrove pore-water sample (0.42). A small proportion of chemical formulas with higher molecular mass in the marine samples were characterized by very low O/C and H/C ratios probably reflecting amphiphilic properties. The average number of unsaturations in the marine samples was surprisingly high (DBE = 9.9; mangrove pore water: DBE = 9.4) most likely due to a significant contribution of carbonyl carbon. There was no significant difference in elemental composition between surface and deep-water DOM in the Weddell Sea. Although there were some molecules with unique marine elemental composition, there was a conspicuous degree of similarity between the terrigenous and algal-derived end members. Approximately one third of the molecular formulas were present in all marine as well as in the mangrove samples. We infer that different forms of microbial degradation ultimately lead to similar structural features that are intrinsically refractory, independent of the source of the organic matter and the environmental conditions where degradation took place.

  15. Chemometric Analysis of High Molecular Mass Glutenin Subunits and Image Data of Bread Crumb Structure from Croatian Wheat Cultivars

    OpenAIRE

    Zorica Jurković; Rezica Sudar; Damir Magdić; Daniela Horvat; Želimir Kurtanjek

    2002-01-01

    The aim of this work is to investigate functional relationships among wheat properties, high molecular mass (weight) (HMW) glutenin subunits and bread quality produced from eleven Croatian wheat cultivars by chemometric analysis. HMW glutenin subunits were fractionated by sodium dodecylsulfate polyacrylamid gel electrophoresis (SDS-PAGE) and subsequently analysed by scanning densitometry in order to quantify HMW glutenin fractions. Wheat properties are characterised by four variables: protein...

  16. Mass detection, localization and estimation for wind turbine blades based on statistical pattern recognition

    DEFF Research Database (Denmark)

    Colone, L.; Hovgaard, K.; Glavind, Lars

    2018-01-01

    A method for mass change detection on wind turbine blades using natural frequencies is presented. The approach is based on two statistical tests. The first test decides if there is a significant mass change and the second test is a statistical group classification based on Linear Discriminant Ana...

  17. Comparison of molecular species of various transphosphatidylated phosphatidylserine (PS) with bovine cortex PS by mass spectrometry

    NARCIS (Netherlands)

    Chen, S.; Li, K.W.

    2008-01-01

    The exogenous introduction of a molecular species mixture of bovine cortex phosphatidylserine (BC-PS) has been claimed to improve memory function in subjects suffering from age-associated memory impairment and dementia. However, it has been also reported that oral administration of another molecular

  18. Colloid molecular weight estimation by gel chromatography/acrylamide gel electrophoresis

    International Nuclear Information System (INIS)

    Liberatore, F.A.; Dearborn, C.; Nigam, S.; Poon, C.; Camin, L.; Liteplo, M.

    1984-01-01

    Size or molecular weight (MW) estimation of radiolabeled collides in aqueous solutions has long been a problem. The authors have prepared several minimicroaggregated albumin colloids (mμAA) by heat denaturation of stannous-containing HSA solutions at pH 7.0, 7.5, and 8.5). The resulting colloids were labeled with Tc-99m and compared with Au-198 colloid and Tc-99m-antimony sulfide colloid (Tc-99m-Sb/sub 2/S3) by gel chromatography and gel electrophoresis. Tc-99mm-mμAA aggregated at pH 7.0 and the Au-198 colloid appeared in the external void volume of a BioRad A5.0 agarose column indicating an apparent MW of > 5 x 10/sup 6/ daltons. The pH7.5 Tc-99m-mμAA, migrated within the filtration range of the column as did a small fraction of Tc-99m-Sb/sub 2/S/sub 3/, suggesting that the MW is between 6 x 10/sup 4/ - 5 x 10/sup 6/ daltons. The Tc-99m-mμAA, aggregated at pH 8.5, had an apparent MW on gel filtration similar to that of untreated albumin, MW 6.6 x 10-/sup 4/ daltons. The mobilities of the colloids, on acrylamide disc gel electrophoresis, were consistent with the results on gel chromatography. The largest colloids, Au-198 colloid and pH 7.0 Tc-99m-mμAA, barely entered the separating gel; intermediate sized colloids, a small fraction of Tc-99m-Sb/sub 2/S/sub 3/ and pH 7.5 Tc-99m-mμAA migrated farther into the separating gel; while pH 8.5 Tc-99m-mμAA had mobility approaching that of untreated albumin. Lymphoscintigraphy studies using these colloids in animals showed the predicted, particle size-related differences in migration and clearance. The authors conclude that gel chromatography and gel electrophoresis are useful methods for estimating the apparent size of the colloidal particles

  19. Yellow Fever in Africa: Estimating the Burden of Disease and Impact of Mass Vaccination from Outbreak and Serological Data

    Science.gov (United States)

    Garske, Tini; Van Kerkhove, Maria D.; Yactayo, Sergio; Ronveaux, Olivier; Lewis, Rosamund F.; Staples, J. Erin; Perea, William; Ferguson, Neil M.

    2014-01-01

    Background Yellow fever is a vector-borne disease affecting humans and non-human primates in tropical areas of Africa and South America. While eradication is not feasible due to the wildlife reservoir, large scale vaccination activities in Africa during the 1940s to 1960s reduced yellow fever incidence for several decades. However, after a period of low vaccination coverage, yellow fever has resurged in the continent. Since 2006 there has been substantial funding for large preventive mass vaccination campaigns in the most affected countries in Africa to curb the rising burden of disease and control future outbreaks. Contemporary estimates of the yellow fever disease burden are lacking, and the present study aimed to update the previous estimates on the basis of more recent yellow fever occurrence data and improved estimation methods. Methods and Findings Generalised linear regression models were fitted to a dataset of the locations of yellow fever outbreaks within the last 25 years to estimate the probability of outbreak reports across the endemic zone. Environmental variables and indicators for the surveillance quality in the affected countries were used as covariates. By comparing probabilities of outbreak reports estimated in the regression with the force of infection estimated for a limited set of locations for which serological surveys were available, the detection probability per case and the force of infection were estimated across the endemic zone. The yellow fever burden in Africa was estimated for the year 2013 as 130,000 (95% CI 51,000–380,000) cases with fever and jaundice or haemorrhage including 78,000 (95% CI 19,000–180,000) deaths, taking into account the current level of vaccination coverage. The impact of the recent mass vaccination campaigns was assessed by evaluating the difference between the estimates obtained for the current vaccination coverage and for a hypothetical scenario excluding these vaccination campaigns. Vaccination campaigns

  20. Yellow Fever in Africa: estimating the burden of disease and impact of mass vaccination from outbreak and serological data.

    Science.gov (United States)

    Garske, Tini; Van Kerkhove, Maria D; Yactayo, Sergio; Ronveaux, Olivier; Lewis, Rosamund F; Staples, J Erin; Perea, William; Ferguson, Neil M

    2014-05-01

    Yellow fever is a vector-borne disease affecting humans and non-human primates in tropical areas of Africa and South America. While eradication is not feasible due to the wildlife reservoir, large scale vaccination activities in Africa during the 1940s to 1960s reduced yellow fever incidence for several decades. However, after a period of low vaccination coverage, yellow fever has resurged in the continent. Since 2006 there has been substantial funding for large preventive mass vaccination campaigns in the most affected countries in Africa to curb the rising burden of disease and control future outbreaks. Contemporary estimates of the yellow fever disease burden are lacking, and the present study aimed to update the previous estimates on the basis of more recent yellow fever occurrence data and improved estimation methods. Generalised linear regression models were fitted to a dataset of the locations of yellow fever outbreaks within the last 25 years to estimate the probability of outbreak reports across the endemic zone. Environmental variables and indicators for the surveillance quality in the affected countries were used as covariates. By comparing probabilities of outbreak reports estimated in the regression with the force of infection estimated for a limited set of locations for which serological surveys were available, the detection probability per case and the force of infection were estimated across the endemic zone. The yellow fever burden in Africa was estimated for the year 2013 as 130,000 (95% CI 51,000-380,000) cases with fever and jaundice or haemorrhage including 78,000 (95% CI 19,000-180,000) deaths, taking into account the current level of vaccination coverage. The impact of the recent mass vaccination campaigns was assessed by evaluating the difference between the estimates obtained for the current vaccination coverage and for a hypothetical scenario excluding these vaccination campaigns. Vaccination campaigns were estimated to have reduced the

  1. Evaporation of liquid droplets of nano- and micro-meter size as a function of molecular mass and intermolecular interactions: experiments and molecular dynamics simulations.

    Science.gov (United States)

    Hołyst, Robert; Litniewski, Marek; Jakubczyk, Daniel

    2017-09-13

    Transport of heat to the surface of a liquid is a limiting step in the evaporation of liquids into an inert gas. Molecular dynamics (MD) simulations of a two component Lennard-Jones (LJ) fluid revealed two modes of energy transport from a vapour to an interface of an evaporating droplet of liquid. Heat is transported according to the equation of temperature diffusion, far from the droplet of radius R. The heat flux, in this region, is proportional to temperature gradient and heat conductivity in the vapour. However at some distance from the interface, Aλ, (where λ is the mean free path in the gas), the temperature has a discontinuity and heat is transported ballistically i.e. by direct individual collisions of gas molecules with the interface. This ballistic transport reduces the heat flux (and consequently the mass flux) by the factor R/(R + Aλ) in comparison to the flux obtained from temperature diffusion. Thus it slows down the evaporation of droplets of sizes R ∼ Aλ and smaller (practically for sizes from 10 3 nm down to 1 nm). We analyzed parameter A as a function of interactions between molecules and their masses. The rescaled parameter, A(k B T b /ε 11 ) 1/2 , is a linear function of the ratio of the molecular mass of the liquid molecules to the molecular mass of the gas molecules, m 1 /m 2 (for a series of chemically similar compounds). Here ε 11 is the interaction parameter between molecules in the liquid (proportional to the enthalpy of evaporation) and T b is the temperature of the gas in the bulk. We tested the predictions of MD simulations in experiments performed on droplets of ethylene glycol, diethylene glycol, triethylene glycol and tetraethylene glycol. They were suspended in an electrodynamic trap and evaporated into dry nitrogen gas. A changes from ∼1 (for ethylene glycol) to approximately 10 (for tetraethylene glycol) and has the same dependence on molecular parameters as obtained for the LJ fluid in MD simulations. The value of x = A

  2. PDV-based estimation of ejecta particles' mass-velocity function from shock-loaded tin experiment

    Science.gov (United States)

    Franzkowiak, J.-E.; Prudhomme, G.; Mercier, P.; Lauriot, S.; Dubreuil, E.; Berthe, L.

    2018-03-01

    A metallic tin plate with a given surface finish of wavelength λ ≃ 60 μm and amplitude h ≃ 8 μm is explosively driven by an electro-detonator with a shock-induced breakout pressure PSB = 28 GPa (unsupported). The resulting dynamic fragmentation process, the so-called "micro-jetting," is the creation of high-speed jets of matter moving faster than the bulk metallic surface. Hydrodynamic instabilities result in the fragmentation of these jets into micron-sized metallic particles constituting a self-expanding cloud of droplets, whose areal mass, velocity, and particle size distributions are unknown. Lithium-niobate-piezoelectric sensor measured areal mass and Photonic Doppler Velocimetry (PDV) was used to get a time-velocity spectrogram of the cloud. In this article, we present both experimental mass and velocity results and we relate the integrated areal mass of the cloud to the PDV power spectral density with the assumption of a power law particle size distribution. Two models of PDV spectrograms are described. The first one accounts for the speckle statistics of the spectrum and the second one describes an average spectrum for which speckle fluctuations are removed. Finally, the second model is used for a maximum likelihood estimation of the cloud's parameters from PDV data. The estimated integrated areal mass from PDV data is found to agree well with piezoelectric results. We highlight the relevance of analyzing PDV data and correlating different diagnostics to retrieve the physical properties of ejecta particles.

  3. Fat Mass Is Positively Associated with Estimated Hip Bone Strength among Chinese Men Aged 50 Years and above with Low Levels of Lean Mass

    Directory of Open Access Journals (Sweden)

    Guiyuan Han

    2017-04-01

    Full Text Available This study investigated the relationships of fat mass (FM and lean mass (LM with estimated hip bone strength in Chinese men aged 50–80 years (median value: 62.0 years. A cross-sectional study including 889 men was conducted in Guangzhou, China. Body composition and hip bone parameters were generated by dual-energy X-ray absorptiometry (DXA. The relationships of the LM index (LMI and the FM index (FMI with bone phenotypes were detected by generalised additive models and multiple linear regression. The associations between the FMI and the bone variables in LMI tertiles were further analysed. The FMI possessed a linear relationship with greater estimated hip bone strength after adjustment for the potential confounders (p < 0.05. Linear relationships were also observed for the LMI with most bone phenotypes, except for the cross-sectional area (p < 0.05. The contribution of the LMI (4.0%–12.8% was greater than that of the FMI (2.0%–5.7%. The associations between the FMI and bone phenotypes became weaker after controlling for LMI. Further analyses showed that estimated bone strength ascended with FMI in the lowest LMI tertile (p < 0.05, but not in the subgroups with a higher LMI. This study suggested that LM played a critical role in bone health in middle-aged and elderly Chinese men, and that the maintenance of adequate FM could help to promote bone acquisition in relatively thin men.

  4. Spark ignition engine control: estimation and prediction of the in-cylinder mass and chemical species; Controle moteur a allumage commande: estimation / prediction de la masse et de la composition du melange enferme dans le cylindre

    Energy Technology Data Exchange (ETDEWEB)

    Giansetti, P.

    2005-09-15

    Spark ignition engine control has become a major issue regarding compliance with emissions legislation while ensuring driving comfort. The objective of this thesis was to estimate the mass and composition of gases inside the cylinder of an engine based on physics in order to insure better control of transient phases taking into account residual gases as well as exhaust gas recirculation. Residual gas fraction has been characterized using two experiments and one CFD code. A model has been validated experimentally and integrated into an observer which predicts pressure and temperature inside the manifold. The predictions of the different gas flows and the chemical species inside the cylinder are deduced. A closed loop observer has been validated experimentally and in simulation. Moreover, an algorithm estimating the fresh and burned gas mass from the cylinder pressure has been proposed in order to obtain the information cycle by cycle and cylinder by cylinder. (author)

  5. THE MASS-SIZE RELATION FROM CLOUDS TO CORES. I. A NEW PROBE OF STRUCTURE IN MOLECULAR CLOUDS

    International Nuclear Information System (INIS)

    Kauffmann, J.; Shetty, R.; Goodman, A. A.; Pillai, T.; Myers, P. C.

    2010-01-01

    We use a new contour-based map analysis technique to measure the mass and size of molecular cloud fragments continuously over a wide range of spatial scales (0.05 ≤ r/pc ≤ 10), i.e., from the scale of dense cores to those of entire clouds. The present paper presents the method via a detailed exploration of the Perseus molecular cloud. Dust extinction and emission data are combined to yield reliable scale-dependent measurements of mass. This scale-independent analysis approach is useful for several reasons. First, it provides a more comprehensive characterization of a map (i.e., not biased toward a particular spatial scale). Such a lack of bias is extremely useful for the joint analysis of many data sets taken with different spatial resolution. This includes comparisons between different cloud complexes. Second, the multi-scale mass-size data constitute a unique resource to derive slopes of mass-size laws (via power-law fits). Such slopes provide singular constraints on large-scale density gradients in clouds.

  6. Estimation of Plutonium-240 Mass in Waste Tanks Using Ultra-Sensitive Detection of Radioactive Xenon Isotopes from Spontaneous Fission

    Energy Technology Data Exchange (ETDEWEB)

    Bowyer, Theodore W. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gesh, Christopher J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Haas, Daniel A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hayes, James C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johns, Jesse M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lukins, Craig D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Mahoney, Lenna A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Meacham, Joseph E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Mendoza, Donaldo P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Olsen, Khris B. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Prinke, Amanda M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Reid, Bruce D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sevigny, Gary J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sinkov, Sergey I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Woods, Vincent T. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-05-24

    This report details efforts to develop a technique which is able to detect and quantify the mass of 240Pu in waste storage tanks and other enclosed spaces. If the isotopic ratios of the plutonium contained in the enclosed space is also known, then this technique is capable of estimating the total mass of the plutonium without physical sample retrieval and radiochemical analysis of hazardous material. Results utilizing this technique are reported for a Hanford Site waste tank (TX-118) and a well-characterized plutonium sample in a laboratory environment.

  7. Linking the formation of molecular clouds and high-mass stars: a multi-tracer and multi-scale study

    International Nuclear Information System (INIS)

    Nguyen-Luong, Quang

    2012-01-01

    Star formation is a complex process involving many physical processes acting from the very large scales of the galaxy to the very small scales of individual stars. Among the highly debated topics, the gas to star-formation-rate (SFR) relation is an interesting topic for both the galactic and extragalactic communities. Although it is studied extensively for external galaxies, how this relation behaves with respect to the molecular clouds of the Milky Way is still unclear. The detailed mechanisms of the formation of molecular clouds and stars, especially high-mass stars, are still not clear. To tackle these two questions, we investigate the molecular cloud formation and the star formation activities in the W43 molecular cloud complex and the G035.39-00.33 filament. The first goal is to infer the connections of the gas-SFR relations of these two objects to those of other galactic molecular clouds and to extragalactic ones. The second goal is to look for indications that the converging flows theory has formed the W43 molecular cloud since it is the first theory to explain star formation self-consistently, from the onset of molecular clouds to the formation of seeds of (high-mass) stars. We use a large dataset of continuum tracers at 3.6--870 μm extracted from Galaxy-wide surveys such as HOBYS, EPOS, Hi-GAL, ATLASGAL, GLIMPSE, and MIPSGAL to trace the cloud structure, mass and star formation activities of both the W43 molecular cloud complex and the G035.39-00.33 filament. To explore the detailed formation mechanisms of the molecular cloud in W43 from low-density to very high-density gas, we take advantage of the existing H_I, "1"3CO 1-0 molecular line data from the VGPS and GRS surveys in combination with the new dedicated molecular line surveys with the IRAM 30 m. We characterise the W43 molecular complex as being a massive complex (M(total) ∼ 7.1 *10"6 M. over spatial extent of ∼ 140 pc), which has a high concentration of dense clumps (M(clumps) ∼ 8.4*10"5 M

  8. NEW EXTINCTION AND MASS ESTIMATES FROM OPTICAL PHOTOMETRY OF THE VERY LOW MASS BROWN DWARF COMPANION CT CHAMAELEONTIS B WITH THE MAGELLAN AO SYSTEM

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Ya-Lin; Close, Laird M.; Males, Jared R.; Morzinski, Katie M.; Follette, Katherine B.; Bailey, Vanessa; Rodigas, Timothy J.; Hinz, Philip [Steward Observatory, University of Arizona, Tucson, AZ 85721 (United States); Barman, Travis S. [Lunar and Planetary Laboratory, University of Arizona, Tucson, AZ 85721 (United States); Puglisi, Alfio; Xompero, Marco; Briguglio, Runa, E-mail: yalinwu@email.arizona.edu [INAF-Osservatorio Astrofisico di Arcetri, Largo E. Fermi 5, I-50125 Firenze (Italy)

    2015-03-01

    We used the Magellan adaptive optics system and its VisAO CCD camera to image the young low mass brown dwarf companion CT Chamaeleontis B for the first time at visible wavelengths. We detect it at r', i', z', and Y{sub S}. With our new photometry and T {sub eff} ∼ 2500 K derived from the shape of its K-band spectrum, we find that CT Cha B has A{sub V} = 3.4 ± 1.1 mag, and a mass of 14-24 M{sub J} according to the DUSTY evolutionary tracks and its 1-5 Myr age. The overluminosity of our r' detection indicates that the companion has significant Hα emission and a mass accretion rate ∼6 × 10{sup –10} M {sub ☉} yr{sup –1}, similar to some substellar companions. Proper motion analysis shows that another point source within 2'' of CT Cha A is not physical. This paper demonstrates how visible wavelength adaptive optics photometry (r', i', z', Y{sub S}) allows for a better estimate of extinction, luminosity, and mass accretion rate of young substellar companions.

  9. High-Resolution Liquid Chromatography Tandem Mass Spectrometry Enables Large Scale Molecular Characterization of Dissolved Organic Matter

    Directory of Open Access Journals (Sweden)

    Daniel Petras

    2017-12-01

    Full Text Available Dissolved organic matter (DOM is arguably one of the most complex exometabolomes on earth, and is comprised of thousands of compounds, that together contribute more than 600 × 1015 g carbon. This reservoir is primarily the product of interactions between the upper ocean's microbial food web, yet abiotic processes that occur over millennia have also modified many of its molecules. The compounds within this reservoir play important roles in determining the rate and extent of element exchange between inorganic reservoirs and the marine biosphere, while also mediating microbe-microbe interactions. As such, there has been a widespread effort to characterize DOM using high-resolution analytical methods including nuclear magnetic resonance spectroscopy (NMR and mass spectrometry (MS. To date, molecular information in DOM has been primarily obtained through calculated molecular formulas from exact mass. This approach has the advantage of being non-targeted, accessing the inherent complexity of DOM. Molecular structures are however still elusive and the most commonly used instruments are costly. More recently, tandem mass spectrometry has been employed to more precisely identify DOM components through comparison to library mass spectra. Here we describe a data acquisition and analysis workflow that expands the repertoire of high-resolution analytical approaches available to access the complexity of DOM molecules that are amenable to electrospray ionization (ESI MS. We couple liquid chromatographic separation with tandem MS (LC-MS/MS and a data analysis pipeline, that integrates peak extraction from extracted ion chromatograms (XIC, molecular formula calculation and molecular networking. This provides more precise structural characterization. Although only around 1% of detectable DOM compounds can be annotated through publicly available spectral libraries, community-wide participation in populating and annotating DOM datasets could rapidly increase the

  10. Use of a free-jet expansion, molecular beam mass spectrometer to understand processes involving volatile corrosion products

    International Nuclear Information System (INIS)

    Jacobson, N.S.

    1997-01-01

    Many high-temperature corrosion processes generate volatile products in addition to condensed phase products. Examples of these volatile products are chlorides, oxychlorides, and certain oxides and hydroxyl species. One of the best techniques to identify high temperature vapor molecules is mass spectrometry. Most mass spectrometers operate in high vacuum and are generally used to examine processes ocurring at greatly reduced pressures. However, a free-jet expansion, molecular beam mass spectrometer system allows direct sampling of volatile corrosion products. This instrument is described. Several examples from our studies on chlorination/oxidation of metals and ceramics are discussed. In addition, reactions of Cr 2 O 3 , SiO 2 , and Al 2 O 3 with water vapor, which produce volatile hydroxyl species are discussed. (orig.)

  11. Approaches for the analysis of low molecular weight compounds with laser desorption/ionization techniques and mass spectrometry.

    Science.gov (United States)

    Bergman, Nina; Shevchenko, Denys; Bergquist, Jonas

    2014-01-01

    This review summarizes various approaches for the analysis of low molecular weight (LMW) compounds by different laser desorption/ionization mass spectrometry techniques (LDI-MS). It is common to use an agent to assist the ionization, and small molecules are normally difficult to analyze by, e.g., matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) using the common matrices available today, because the latter are generally small organic compounds themselves. This often results in severe suppression of analyte peaks, or interference of the matrix and analyte signals in the low mass region. However, intrinsic properties of several LDI techniques such as high sensitivity, low sample consumption, high tolerance towards salts and solid particles, and rapid analysis have stimulated scientists to develop methods to circumvent matrix-related issues in the analysis of LMW molecules. Recent developments within this field as well as historical considerations and future prospects are presented in this review.

  12. Variational estimates for the mass gap of SU(2) Euclidean lattice gauge theory

    International Nuclear Information System (INIS)

    Hari Dass, N.D.

    1984-10-01

    The purpose of this letter is to report on the progress made in our understanding of series expansions for the masses in lattice gauge theories by the application of variational techniques to the Euclidean SU(2) lattice gauge theory. (Auth.)

  13. Estimation of flow stress of radiation induced F/M steels using molecular dynamics and discrete dislocation dynamics approach

    International Nuclear Information System (INIS)

    More, Ameya; Dutta, B.K.; Durgaprasad, P.V.; Arya, A.K.

    2012-01-01

    Fe-Cr based Ferritic/Martensitic (F/M) steels are the candidate structural materials for future fusion reactors. In this work, a multi-scale approach comprising atomistic Molecular Dynamics (MD) simulations and Discrete Dislocation Dynamics (DDD) simulations are used to model the effect of irradiation dose on the flow stress of F/M steels. At the atomic scale, molecular dynamics simulations are used to study the dislocation interaction with irradiation induced defects, i.e. voids and He bubbles. Whereas, the DDD simulations are used to estimate the change in flow stress of the material as a result of irradiation hardening. (author)

  14. Detailed Source-Specific Molecular Composition of Ambient Aerosol Organic Matter Using Ultrahigh Resolution Mass Spectrometry and 1H NMR

    Directory of Open Access Journals (Sweden)

    Amanda S. Willoughby

    2016-06-01

    Full Text Available Organic aerosols (OA are universally regarded as an important component of the atmosphere that have far-ranging impacts on climate forcing and human health. Many of these impacts are related to OA molecular characteristics. Despite the acknowledged importance, current uncertainties related to the source apportionment of molecular properties and environmental impacts make it difficult to confidently predict the net impacts of OA. Here we evaluate the specific molecular compounds as well as bulk structural properties of total suspended particulates in ambient OA collected from key emission sources (marine, biomass burning, and urban using ultrahigh resolution mass spectrometry (UHR-MS and proton nuclear magnetic resonance spectroscopy (1H NMR. UHR-MS and 1H NMR show that OA within each source is structurally diverse, and the molecular characteristics are described in detail. Principal component analysis (PCA revealed that (1 aromatic nitrogen species are distinguishing components for these biomass burning aerosols; (2 these urban aerosols are distinguished by having formulas with high O/C ratios and lesser aromatic and condensed aromatic formulas; and (3 these marine aerosols are distinguished by lipid-like compounds of likely marine biological origin. This study provides a unique qualitative approach for enhancing the chemical characterization of OA necessary for molecular source apportionment.

  15. The ATLAS3D project - XX. Mass-size and mass-σ distributions of early-type galaxies: bulge fraction drives kinematics, mass-to-light ratio, molecular gas fraction and stellar initial mass function

    Science.gov (United States)

    Cappellari, Michele; McDermid, Richard M.; Alatalo, Katherine; Blitz, Leo; Bois, Maxime; Bournaud, Frédéric; Bureau, M.; Crocker, Alison F.; Davies, Roger L.; Davis, Timothy A.; de Zeeuw, P. T.; Duc, Pierre-Alain; Emsellem, Eric; Khochfar, Sadegh; Krajnović, Davor; Kuntschner, Harald; Morganti, Raffaella; Naab, Thorsten; Oosterloo, Tom; Sarzi, Marc; Scott, Nicholas; Serra, Paolo; Weijmans, Anne-Marie; Young, Lisa M.

    2013-07-01

    ) and dwarf irregulars (Im), respectively. We use dynamical models to analyse our kinematic maps. We show that σe traces the bulge fraction, which appears to be the main driver for the observed trends in the dynamical (M/L)JAM and in indicators of the (M/L)pop of the stellar population like Hβ and colour, as well as in the molecular gas fraction. A similar variation along contours of σe is also observed for the mass normalization of the stellar initial mass function (IMF), which was recently shown to vary systematically within the ETGs' population. Our preferred relation has the form log _{10} [(M/L)_stars/(M/L)_Salp]=a+b× log _{10}({σ _e}/130 {km s^{-1}}) with a = -0.12 ± 0.01 and b = 0.35 ± 0.06. Unless there are major flaws in all stellar population models, this trend implies a transition of the mean IMF from Kroupa to Salpeter in the interval log _{10}({σ _e}/{km s}^{-1})≈ 1.9-2.5 (or {σ _e}≈ 90-290 km s-1), with a smooth variation in between, consistently with what was shown in Cappellari et al. The observed distribution of galaxy properties on the MP provides a clean and novel view for a number of previously reported trends, which constitute special two-dimensional projections of the more general four-dimensional parameters trends on the MP. We interpret it as due to a combination of two main effects: (i) an increase of the bulge fraction, which increases σe, decreases Re, and greatly enhance the likelihood for a galaxy to have its star formation quenched, and (ii) dry merging, increasing galaxy mass and Re by moving galaxies along lines of roughly constant σe (or steeper), while leaving the population nearly unchanged.

  16. Estimates of Particulate Mass for an MCO Containing Mark 1A Fuel

    International Nuclear Information System (INIS)

    WYMAN, H.A.

    1999-01-01

    High, best estimate, and low values are given for particulate inventories within an MCO basket containing freshly cleaned Mark 1A fuel. The findings are compared with the estimates of particulate inventories for an MCO basket containing freshly cleaned Mark IV fuel

  17. Enhancing Accuracy in Molecular Weight Determination of Highly Heterogeneously Glycosylated Proteins by Native Tandem Mass Spectrometry

    NARCIS (Netherlands)

    Wang, Guanbo; de Jong, Rob N; van den Bremer, Ewald T J; Parren, Paul W H I; Heck, Albert J R

    2017-01-01

    The determination of molecular weights (MWs) of heavily glycosylated proteins is seriously hampered by the physicochemical characteristics and heterogeneity of the attached carbohydrates. Glycosylation impacts protein migration during sodium dodecyl sulfate (SDS)-polyacrylamide gel electrophoresis

  18. Organizing the Cellular and Molecular Heterogeneity in High-Grade Serous Ovarian Cancer by Mass Cytometry

    Science.gov (United States)

    2014-10-01

    Bendall SC, Sung P, Nolan GP, Arvin AM. Single-cell mass cytometry analysis of human tonsil T cell remodeling by varicella zoster virus. Cell Rep...Perspectives on Flow Cytometry 2013, September 20, 2013, Mass Cytometry and Cell Cycle, Mexico City, Mexico (by Web Conference) Nolan: Nuclear

  19. Determination of the Relative Atomic Masses of Metals by Liberation of Molecular Hydrogen

    Science.gov (United States)

    Waghorne, W. Earle; Rous, Andrew J.

    2009-01-01

    Students determine the relative atomic masses of calcium, magnesium, and aluminum by reaction with hydrochloric acid and measurement of the volume of hydrogen gas liberated. The experiment demonstrates stoichiometry and illustrates clearly that mass of the reagent is not the determinant of the amounts in chemical reactions. The experiment is…

  20. Pulsed flow modulation two-dimensional comprehensive gas chromatography-tandem mass spectrometry with supersonic molecular beams.

    Science.gov (United States)

    Poliak, Marina; Fialkov, Alexander B; Amirav, Aviv

    2008-11-07

    Pulsed flow modulation (PFM) two-dimensional comprehensive gas chromatography (GC x GC) was combined with quadrupole-based mass spectrometry (MS) via a supersonic molecular beam (SMB) interface using a triple-quadrupole system as the base platform, which enabled tandem mass spectrometry (MS-MS). PFM is a simple GC x GC modulator that does not consume cryogenic gases while providing tunable second GC x GC column injection time for enabling the use of quadrupole-based mass spectrometry regardless its limited scanning speed. The 20-ml/min second column flow rate involved with PFM is handled, splitless, by the SMB interface without affecting the sensitivity. The combinations of PFM GC x GC-MS with SMB and PFM GC x GC-MS-MS with SMB were explored with the analysis of diazinon and permethrin in coriander. PFM GC x GC-MS with SMB is characterized by enhanced molecular ion and tailing-free fast ion source response time. It enables universal pesticide analysis with full scan and data analysis with reconstructed single ion monitoring on the enhanced molecular ion and another prominent high mass fragment ion. The elimination of the third fragment ion used in standard three ions method results in significantly reduced matrix interference. GC x GC-MS with SMB improves the GC separation, and thereby our ability for sample identification using libraries. GC-MS-MS with SMB provides better reduction (elimination) of matrix interference than GC x GC-MS. However, it is a target method, which is not always applicable. GC x GC-MS-MS does not seem to further reduce matrix interferences over GC-MS-MS and unlike GC x GC-MS, it is incompatible with library identification, but it is beneficial to have both GC x GC and MS-MS capabilities in the same system.

  1. Direct coupling of a dense (supercritical) gas chromatograph to a mass spectrometer using a supersonic molecular beam interface

    International Nuclear Information System (INIS)

    Randall, L.G.; Wahrhaftig, A.L.

    1981-01-01

    A detecting mass spectrometer has been successfully coupled to a dense gas (supercritical fluid) chromatograph to produce an instrument (DGC/MS) that may be an alternative to high performance liquid chromatograph/mass spectrometer instruments (HPLC/MS) and gas chromatograph/mass spectrometer instruments (GC/MS) for analysis of involatile and/or thermally labile compounds. The mobile phase in DGC is a gas held at temperatures above the critical temperature and at pressures sufficient to obtain nearly liquid-like densities. DGC combines advantages of GC and HPLC: rapid separations, moderate operating temperatures, and analysis of involatile compounds. An advantage unique to DGC is the solvent power dependence upon pressure. While several groups have studied DGC, its development has been limited by the lack of a sensitive and selective detector. Hence, work has been directed towards the design and construction of a DGC/MS resulting in a trial instrument capable of chromatographic pressures of at least 300 atm and temperatures from 10 0 to 60 0 C. The DGC/MS coupling has been accomplished by the use of a supersonic molecular beam interface. This application of molecular beam formation appears to be unique in its requirements of a large pressure ratio (approx.10 8 ), low flow rates, and low final pressures. The authors outline characteristics of supersonic jets and molecular beams pertinent to the design of such an instrument. The interface which uses pumping speeds of 2400 and 1200 l/s in the beam forming chambers is described in detail, while the other components: the detecting mass spectrometer, the dense gas supply, and the DGC: are briefly described. Preliminary work with this instrument has established the feasibility of DGC/MS as an analytical technique and further development is recommended

  2. Using velocity dispersion to estimate halo mass: Is the Local Group in tension with ΛCDM?

    Science.gov (United States)

    Elahi, Pascal J.; Power, Chris; Lagos, Claudia del P.; Poulton, Rhys; Robotham, Aaron S. G.

    2018-06-01

    Satellite galaxies are commonly used as tracers to measure the line-of-sight (LOS)velocity dispersion (σLOS) of the dark matter halo associated with their central galaxy, and thereby to estimate the halo's mass. Recent observational dispersion estimates of the Local Group, including the Milky Way and M31, suggest σ ˜50 km s-1, which is surprisingly low when compared to the theoretical expectation of σ ˜100 km s-1 for systems of their mass. Does this pose a problem for Lambda cold dark matter (ΛCDM)? We explore this tension using the SURFS suite of N-body simulations, containing over 10000 (sub)haloes with well tracked orbits. We test how well a central galaxy's host halo velocity dispersion can be recovered by sampling σLOS of subhaloes and surrounding haloes. Our results demonstrate that σLOS is biased mass proxy. We define an optimal window in vLOS and projected distance (Dp) - 0.5 ≲ Dp/Rvir ≲ 1.0 and vLOS ≲ 0.5Vesc, where Rvir is the virial radius and Vesc is the escape velocity - such that the scatter in LOS to halo dispersion is minimized - σLOS = (0.5 ± 0.1)σv, H. We argue that this window should be used to measure LOS dispersions as a proxy for mass, as it minimises scatter in the σLOS-Mvir relation. This bias also naturally explains the results from McConnachie (2012), who used similar cuts when estimating σLOS, LG, producing a bias of σLG = (0.44 ± 0.14)σv, H. We conclude that the Local Group's velocity dispersion does not pose a problem for ΛCDM and has a mass of log M_{LG, vir}/M_{⊙}=12.0^{+0.8}_{-2.0}.

  3. RCW 36 in the Vela Molecular Ridge: Evidence for high-mass star-cluster formation triggered by cloud-cloud collision

    Science.gov (United States)

    Sano, Hidetoshi; Enokiya, Rei; Hayashi, Katsuhiro; Yamagishi, Mitsuyoshi; Saeki, Shun; Okawa, Kazuki; Tsuge, Kisetsu; Tsutsumi, Daichi; Kohno, Mikito; Hattori, Yusuke; Yoshiike, Satoshi; Fujita, Shinji; Nishimura, Atsushi; Ohama, Akio; Tachihara, Kengo; Torii, Kazufumi; Hasegawa, Yutaka; Kimura, Kimihiro; Ogawa, Hideo; Wong, Graeme F.; Braiding, Catherine; Rowell, Gavin; Burton, Michael G.; Fukui, Yasuo

    2018-05-01

    A collision between two molecular clouds is one possible candidate for high-mass star formation. The H II region RCW 36, located in the Vela molecular ridge, contains a young star cluster (˜ 1 Myr old) and two O-type stars. We present new CO observations of RCW 36 made with NANTEN2, Mopra, and ASTE using 12CO(J = 1-0, 2-1, 3-2) and 13CO(J = 2-1) emission lines. We have discovered two molecular clouds lying at the velocities VLSR ˜ 5.5 and 9 km s-1. Both clouds are likely to be physically associated with the star cluster, as verified by the good spatial correspondence among the two clouds, infrared filaments, and the star cluster. We also found a high intensity ratio of ˜ 0.6-1.2 for CO J = 3-2/1-0 toward both clouds, indicating that the gas temperature has been increased due to heating by the O-type stars. We propose that the O-type stars in RCW 36 were formed by a collision between the two clouds, with a relative velocity separation of 5 km s-1. The complementary spatial distributions and the velocity separation of the two clouds are in good agreement with observational signatures expected for O-type star formation triggered by a cloud-cloud collision. We also found a displacement between the complementary spatial distributions of the two clouds, which we estimate to be 0.3 pc assuming the collision angle to be 45° relative to the line-of-sight. We estimate the collision timescale to be ˜ 105 yr. It is probable that the cluster age found by Ellerbroek et al. (2013b, A&A, 558, A102) is dominated by the low-mass members which were not formed under the triggering by cloud-cloud collision, and that the O-type stars in the center of the cluster are explained by the collisional triggering independently from the low-mass star formation.

  4. Surveying Drifting Icebergs and Ice Islands: Deterioration Detection and Mass Estimation with Aerial Photogrammetry and Laser Scanning

    Directory of Open Access Journals (Sweden)

    Anna J. Crawford

    2018-04-01

    Full Text Available Icebergs and ice islands (large, tabular icebergs are challenging targets to survey due to their size, mobility, remote locations, and potentially difficult environmental conditions. Here, we assess the precision and utility of aerial photography surveying with structure-from-motion multi-view stereo photogrammetry processing (SfM and vessel-based terrestrial laser scanning (TLS for iceberg deterioration detection and mass estimation. For both techniques, we determine the minimum amount of change required to reliably resolve iceberg deterioration, the deterioration detection threshold (DDT, using triplicate surveys of two iceberg survey targets. We also calculate their relative uncertainties for iceberg mass estimation. The quality of deployed Global Positioning System (GPS units that were used for drift correction and scale assignment was a major determinant of point cloud precision. When dual-frequency GPS receivers were deployed, DDT values of 2.5 and 0.40 m were calculated for the TLS and SfM point clouds, respectively. In contrast, values of 6.6 and 3.4 m were calculated when tracking beacons with lower-quality GPS were used. The SfM dataset was also more precise when used for iceberg mass estimation, and we recommend further development of this technique for iceberg-related end-uses.

  5. MALDI-TOF mass spectrometry imaging reveals molecular level changes in ultrahigh molecular weight polyethylene joint implants in correlation with lipid adsorption.

    Science.gov (United States)

    Fröhlich, Sophie M; Archodoulaki, Vasiliki-Maria; Allmaier, Günter; Marchetti-Deschmann, Martina

    2014-10-07

    Ultrahigh molecular weight polyethylene (PE-UHMW), a material with high biocompatibility and excellent mechanical properties, is among the most commonly used materials for acetabular cup replacement in artificial joint systems. It is assumed that the interaction with synovial fluid in the biocompartment leads to significant changes relevant to material failure. In addition to hyaluronic acid, lipids are particularly relevant for lubrication in an articulating process. This study investigates synovial lipid adsorption on two different PE-UHMW materials (GUR-1050 and vitamin E-doped) in an in vitro model system by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry imaging (MSI). Lipids were identified by high performance thin layer chromatography (HP-TLC) and tandem mass spectrometry (MS/MS) analysis, with an analytical focus on phospholipids and cholesterol, both being species of high importance for lubrication. Scanning electron microscopy (SEM) analysis was applied in the study to correlate molecular information with PE-UHMW material qualities. It is demonstrated that lipid adsorption preferentially occurs in rough or oxidized polymer regions. Polymer modifications were colocalized with adsorbed lipids and found with high density in regions identified by SEM. Explanted, the in vivo polymer material showed comparable and even more obvious polymer damage and lipid adsorption when compared with the static in vitro model. A three-dimensional reconstruction of MSI data from consecutive PE-UHMW slices reveals detailed information about the diffusion process of lipids in the acetabular cup and provides, for the first time, a promising starting point for future studies correlating molecular information with commonly used techniques for material analysis (e.g., Fourier-transform infrared spectroscopy, nanoindentation).

  6. In situ monitoring of molecular changes during cell differentiation processes in marine macroalgae through mass spectrometric imaging.

    Science.gov (United States)

    Kessler, Ralf W; Crecelius, Anna C; Schubert, Ulrich S; Wichard, Thomas

    2017-08-01

    Matrix-assisted laser desorption/ionization mass spectrometric imaging (MALDI-MSI) was employed to discriminate between cell differentiation processes in macroalgae. One of the key developmental processes in the algal life cycle is the production of germ cells (gametes and zoids). The gametogenesis of the marine green macroalga Ulva mutabilis (Chlorophyta) was monitored by metabolomic snapshots of the surface, when blade cells differentiate synchronously into gametangia and giving rise to gametes. To establish MSI for macroalgae, dimethylsulfoniopropionate (DMSP), a known algal osmolyte, was determined. MSI of the surface of U. mutabilis followed by chemometric data analysis revealed dynamic metabolomic changes during cell differentiation. DMSP and a total of 55 specific molecular biomarkers, which could be assigned to important stages of the gametogenesis, were detected. Our research contributes to the understanding of molecular mechanisms underlying macroalgal cell differentiation. Graphical abstract Molecular changes during cell differentiation of the marine macroalga Ulva were visualized by matrix assisted laser desorption/ionization mass spectrometric imaging (MALDI-MSI).

  7. Dry mass estimation of tropical aquatic insects using different short-term preservation methods

    Directory of Open Access Journals (Sweden)

    Claudia Cressa

    1999-06-01

    Full Text Available Relationships of body mass and head capsule width were calculated for Thraulodes sp., Haplohyphes sp. (Ephemeroptera, Leptonema sp. and Nectopsyche sp. (Trichoptera, and Anacroneuria sp. (Plecoptera using different preservatives (Freezing, Formaldehyde 4% and Kahle. The organisms were collected monthly during a year on the Orituco river, Venezuela with a Surber net (0. 1296 m² and 0.286 mm mesh size. The data presented here are representative of the organism conditions year around. No attempt was made to quantify intersample variation. Regression analysis indicated that all relationships were highly correlated for any of the fixatives used. Changes in dry mass per unit change of head capsule width, vary among species and preservatives with no clear relationship among them. Changes in dry mass calculated as the difference between dry mass of preserved samples to those of unpreserved ones, indicate that all fixatives underestimate dry mass by as much as 85.4%, except for Nectopsyche sp. whose dry mass was always overestimated. These results provide further evidence on the effect of preservatives on dry mass losses. Even when working with tropical species, any study in which biomass is going to be determined should consider the effect of preservatives on dry mass.Se calcularon las ecuaciones para las relaciones entre la masa del cuerpo y el ancho de la cápsula cefálica para Thraulodes sp., Haplohyphes sp. (Ephemeroptera, Leptonema sp., Nectopsyche sp. (Trichoptera y Anacroneuria sp. (Plecoptera usando diferentes preservativos (Congelamiento, Formol 4% and Kahle. El análisis de regresión indicó que todas las relaciones obtenidas son altamente significativas para cada uno de los preservativos utilizados. Los cambios en la masa del cuerpo por unidad de cambio en el ancho de la cápsula cefálica, son diferentes para cada especie y preservativo, sin haberse obtenido una clara relación entre ellos. La compararación entre los valores de masa

  8. Optimal Mass Transport for Statistical Estimation, Image Analysis, Information Geometry, and Control

    Science.gov (United States)

    2017-01-10

    advances on formulating and solving optimal transport problems on discrete spaces (networks) while ensuring robustness of the transportation plan. This...Metric Uncertainty for Spectral Estimation based on Nevanlinna-Pick Interpolation, (with J. Karlsson) Intern. Symp. on the Math . Theory of Networks and...Systems, Melbourne 2012. 22. Geometric tools for the estimation of structured covariances, (with L. Ning, X. Jiang) Intern. Symposium on the Math . Theory

  9. Media optimization for elevated molecular weight and mass production of pigment-free pullulan.

    Science.gov (United States)

    Yu, Xiaoliu; Wang, Yulei; Wei, Gongyuan; Dong, Yingying

    2012-07-01

    In this study, an Aureobasidium pullulans SZU 1001 mutant, deficient in pigment production, was screened by complex UV and γ-ray mutagenesis. Medium composition optimization for increased pullulan molecular weight and production was conducted using this mutant. Six nutrients: yeast extract, (NH4)2SO4, K2HPO4, NaCl, MgSO4·7H2O and CaCl2 were detected within pullulan production in flasks. It is shown that NaCl and K2HPO4 have significant influences on molecular weight of pullulan, while yeast extract and (NH4)2SO4 significantly affect pullulan yield. To achieve a higher molecular weight and more efficient pullulan production, a response surface methodology approach was introduced to predict an optimal nutrient combination. A molecular weight of 5.74 × 10(6) and pullulan yield on glucose of 51.30% were obtained under batch pullulan fermentation with the optimized media, which increased molecular weight and pullulan production by 97.25% and 11.04%, respectively compared with the control media. Copyright © 2012 Elsevier Ltd. All rights reserved.

  10. Estimation and Uncertainty Analysis of Flammability Properties for Computer-aided molecular design of working fluids for thermodynamic cycles

    DEFF Research Database (Denmark)

    Frutiger, Jerome; Abildskov, Jens; Sin, Gürkan

    Computer Aided Molecular Design (CAMD) is an important tool to generate, test and evaluate promising chemical products. CAMD can be used in thermodynamic cycle for the design of pure component or mixture working fluids in order to improve the heat transfer capacity of the system. The safety......, there is no information about the reliability of the data. Furthermore, the global optimality of the GC parameters estimation is often not ensured....

  11. Characterisation of uremic "Middle molecular"fractions by gas chromatography mass spectrometry, isotachophoresis, and liquid chromatography

    NARCIS (Netherlands)

    Schoots, A.C.; Mikkers, F.E.P.; Claessens, H.A.; Smet, de R.; Landschoot, van N.; Ringoir, S.M.G.

    1982-01-01

    Uremic ultrafiltrates (and normal serum, for comparison) were fractionated by means of gel filtration. The collected fractions were further investigated by combined analytical techniques: "high- performance" liquid chromatography, gas chromatography, mass spectrometry, and isotachophoresis.

  12. Uncertainty estimation of the mass discharge from a contaminated site using a fully Bayesian framework

    DEFF Research Database (Denmark)

    Troldborg, Mads; Nowak, W.; Binning, Philip John

    2010-01-01

    with an uncertain geostatistical model and iii) measurement uncertainty. The method is tested on a TCE contaminated site for which four different conceptual models were set up. The mass discharge and the associated uncertainty are hereby determined. It is discussed which of the conceptual models is most likely...

  13. Calibration and use of plate meter regressions for pasture mass estimation in an Appalachian silvopasture

    Science.gov (United States)

    A standardized plate meter for measuring pasture mass was calibrated at the Agroforestry Research and Demonstration Site in Blacksburg, VA, using six ungrazed plots of established tall fescue (Festuca arundinaceae) overseeded with orchardgrass (Dactylis glomerata). Each plot was interplanted with b...

  14. Uncertainty evaluation of mass discharge estimates from a contaminated site using a fully Bayesian framework

    DEFF Research Database (Denmark)

    Troldborg, Mads; Nowak, W.; Tuxen, N.

    2010-01-01

    for each of the conceptual models considered. The probability distribution of mass discharge is obtained by combining all ensembles via BMA. The method was applied to a trichloroethylene-contaminated site located in northern Copenhagen. Four essentially different conceptual models based on two source zone...

  15. Using Monte Carlo Simulation To Improve Cargo Mass Estimates For International Space Station Commercial Resupply Flights

    Science.gov (United States)

    2016-12-01

    The Challenges of ISS Resupply .......................................... 23 F. THE IMPORTANCE OF MASS PROPERTIES IN SPACECRAFT AND MISSION DESIGN...Transportation System TBA trundle bearing assembly VLC verification loads cycle xv EXECUTIVE SUMMARY Resupplying the International Space Station...management priorities. This study addresses those challenges by developing Monte Carlo simulations based on over 13 years of as- flownSS resupply

  16. Black Hole Mass Estimation in Type 1 AGN: Hβ vs. Mg II Lines and the Role of Balmer Continuum

    Energy Technology Data Exchange (ETDEWEB)

    Kovačević-Dojčinović, Jelena [Astronomical Observatory, Belgrade (Serbia); Marčeta-Mandić, Sladjana; Popović, Luka Č., E-mail: sladjana@aob.rs [Astronomical Observatory, Belgrade (Serbia); Department of Astronomy, Faculty of Mathematics, University of Belgrade, Belgrade (Serbia)

    2017-07-24

    Here we investigate the Hβ and Mg II spectral line parameters used for the black hole mass (M{sub BH}) estimation for a sample of Type 1 Active Galactic Nuclei (AGN) spectra selected from the Sloan Digital Sky Survey (SDSS) database. We have analyzed and compared the virialization of the Hβ and Mg II emission lines, and found that the Hβ line is more confident virial estimator than Mg II. We have investigated the influence of the Balmer continuum emission to the M{sub BH} estimation from the UV parameters, and found that the Balmer continuum emission can contribute to the overestimation of the M{sub BH} on average for ~5% (up to 10%).

  17. Speed control for a two-mass drive system using integrated fuzzy estimator and hybrid fuzzy PD/PI controller

    International Nuclear Information System (INIS)

    Pai, N-S; Kuo, Y-P

    2008-01-01

    This paper presents a novel speed control scheme for a 2- mass motor drive system. The speed controller is based on the estimated state feedback compensation. The integrated fuzzy observer can give a fast and accuracy estimation of the unmeasured states. Two kinds of hybrid fuzzy proportional-derivative and proportional-integral (HF PD/PI) are proposed to cope with this speed control problem. The first is the static HF PD/PI controller and the second is the dynamic one. Simulation results show that the developed integrated fuzzy observer provide the better estimation performance than that of the Kalman filter and the proposed control schemes can effectively track the desired speed in the presence of load disturbance

  18. In-situ Mass Spectrometric Determination of Molecular Structural Evolution at the Solid Electrolyte Interphase in Lithium-Ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Zihua; Zhou, Yufan; Yan, Pengfei; Vemuri, Venkata Rama Ses; Xu, Wu; Zhao, Rui; Wang, Xuelin; Thevuthasan, Suntharampillai; Baer, Donald R.; Wang, Chong M.

    2015-08-19

    Dynamic molecular evolution at solid/liquid electrolyte interface is always a mystery for a rechargeable battery due to the challenge to directly probe/observe the solid/liquid interface under reaction conditions, which in essence appears to be similarly true for all the fields involving solid/liquid phases, such as electrocatalysis, electrodeposition, biofuel conversion, biofilm, and biomineralization, We use in-situ liquid secondary ion mass spectroscopy (SIMS) for the first time to directly observe the molecular structural evolution at the solid electrode/liquid electrolyte interface for a lithium (Li)-ion battery under dynamic operating conditions. We have discovered that the deposition of Li metal on copper electrode leads to the condensation of solvent molecules around the electrode. Chemically, this layer of solvent condensate tends to deplete the salt anion and with low concentration of Li+ ions, which essentially leads to the formation of a lean electrolyte layer adjacent to the electrode and therefore contributes to the overpotential of the cell. This unprecedented molecular level dynamic observation at the solid electrode/liquid electrolyte interface provides vital chemical information that is needed for designing of better battery chemistry for enhanced performance, and ultimately opens new avenues for using liquid SIMS to probe molecular evolution at solid/liquid interface in general.

  19. IN-CYLINDER MASS FLOW ESTIMATION AND MANIFOLD PRESSURE DYNAMICS FOR STATE PREDICTION IN SI ENGINES

    Directory of Open Access Journals (Sweden)

    Wojnar Sławomir

    2014-06-01

    Full Text Available The aim of this paper is to present a simple model of the intake manifold dynamics of a spark ignition (SI engine and its possible application for estimation and control purposes. We focus on pressure dynamics, which may be regarded as the foundation for estimating future states and for designing model predictive control strategies suitable for maintaining the desired air fuel ratio (AFR. The flow rate measured at the inlet of the intake manifold and the in-cylinder flow estimation are considered as parts of the proposed model. In-cylinder flow estimation is crucial for engine control, where an accurate amount of aspired air forms the basis for computing the manipulated variables. The solutions presented here are based on the mean value engine model (MVEM approach, using the speed-density method. The proposed in-cylinder flow estimation method is compared to measured values in an experimental setting, while one-step-ahead prediction is illustrated using simulation results.

  20. Estimation of thigh muscle mass with magnetic resonance imaging in older adults and people with chronic obstructive pulmonary disease.

    Science.gov (United States)

    Mathur, Sunita; Takai, Karen Pr; Macintyre, Donna L; Reid, Darlene

    2008-02-01

    Quantifying muscle mass is an essential part of physical therapy assessment, particularly in older adults and in people with chronic conditions associated with muscle atrophy. The purposes of this study were to examine the relationship between muscle cross-sectional area (CSA) and volume by use of magnetic resonance imaging (MRI) and to compare anthropometric estimations of midthigh CSA with measurements obtained from MRI. Twenty older adults who were healthy and 20 people with chronic obstructive pulmonary disease (COPD), matched for age, sex, and body mass index, underwent MRI to obtain measurements of thigh muscle CSA and volume. Anthropometric measurements (skinfold thickness and thigh circumference) were used to estimate midthigh CSA. Muscle volumes were significantly lower in the people with COPD than in the older adults who were healthy. Moderate to high correlations were found between midthigh CSA and volume in both groups (r=.61-.94). Anthropometric measurements tended to overestimate midthigh CSA in both the people with COPD (estimated CSA=64.9+/-17.8; actual CSA=48.3+/-10.2 cm(2)) and the older adults who were healthy (estimated quadriceps femoris muscle CSA=65.0+/-14.0; actual CSA=56.8+/-13.5 cm(2)). Furthermore, the estimated quadriceps femoris muscle CSAs were not sensitive enough to detect a difference in muscle size between people with COPD and controls. Thigh circumference alone was not different between groups and showed only low to moderate correlations with muscle volume (r=.19-.47). Muscle CSA measured from a single slice provides a good indication of volume, but the most representative slice should be chosen on the basis of the muscle group of interest. Thigh circumference is not correlated with muscle volume and, therefore, should not be used as an indicator of muscle size. The development of population-specific reference equations for estimating muscle CSA from anthropometric measurements is warranted.

  1. A PARAMETERIZED GALAXY CATALOG SIMULATOR FOR TESTING CLUSTER FINDING, MASS ESTIMATION, AND PHOTOMETRIC REDSHIFT ESTIMATION IN OPTICAL AND NEAR-INFRARED SURVEYS

    International Nuclear Information System (INIS)

    Song, Jeeseon; Mohr, Joseph J.; Barkhouse, Wayne A.; Rude, Cody; Warren, Michael S.; Dolag, Klaus

    2012-01-01

    We present a galaxy catalog simulator that converts N-body simulations with halo and subhalo catalogs into mock, multiband photometric catalogs. The simulator assigns galaxy properties to each subhalo in a way that reproduces the observed cluster galaxy halo occupation distribution, the radial and mass-dependent variation in fractions of blue galaxies, the luminosity functions in the cluster and the field, and the color-magnitude relation in clusters. Moreover, the evolution of these parameters is tuned to match existing observational constraints. Parameterizing an ensemble of cluster galaxy properties enables us to create mock catalogs with variations in those properties, which in turn allows us to quantify the sensitivity of cluster finding to current observational uncertainties in these properties. Field galaxies are sampled from existing multiband photometric surveys of similar depth. We present an application of the catalog simulator to characterize the selection function and contamination of a galaxy cluster finder that utilizes the cluster red sequence together with galaxy clustering on the sky. We estimate systematic uncertainties in the selection to be at the ≤15% level with current observational constraints on cluster galaxy populations and their evolution. We find the contamination in this cluster finder to be ∼35% to redshift z ∼ 0.6. In addition, we use the mock galaxy catalogs to test the optical mass indicator B gc and a red-sequence redshift estimator. We measure the intrinsic scatter of the B gc -mass relation to be approximately log normal with σ log10M ∼0.25 and we demonstrate photometric redshift accuracies for massive clusters at the ∼3% level out to z ∼ 0.7.

  2. Orientation and properties of the blends on high-molecular mass polyacrylonitrile with trihydroxyethylenedimethacrylate under electron irradiation

    International Nuclear Information System (INIS)

    Lomonosova, N.V.

    1998-01-01

    Molecular orientation of the drawn blends of high- molecular-mass poly(acrylonitrile) containing 5-50 wt % of trihydroxyethylenedimethacrylate and a change in the orientation of the drawn samples upon irradiation with accelerated electrons was studied by methods of birefringence, isometric heating, and IR dichroism. The degree of orientation of the unirradiated blends containing certain amounts of oligomer exceed that of the individual polymer. In the region of large drawing ratios, the differential degree of orientation of the polymer matrix is not affected by the irradiation, while the orientation of the oligomer component increase. High values of the strength (600-730 MPa) and the modulus (18-22 GPa) of the compositions are due to the presence of a crystalline skeleton formed by unfolded chains of the polymer matrix stabilized by the electron irradiation induced cross-linking

  3. Testing a low molecular mass fraction of a mushroom (Lentinus edodes) extract formulated as an oral rinse in a cohort of volunteers

    NARCIS (Netherlands)

    Signoretto, C.; Burlacchini, G.; Marchi, A.; Grillenzoni, M.; Cavalleri, G.; Ciric, L.; Lingström, P.; Pezzati, E.; Daglia, M.; Zaura, E.; Pratten, J.; Spratt, D.A.; Wilson, M.; Canepari, P.

    2011-01-01

    Although foods are considered enhancing factors for dental caries and periodontitis, laboratory researches indicate that several foods and beverages contain components endowed with antimicrobial and antiplaque activities. A low molecular mass (LMM) fraction of an aqueous mushroom extract has been

  4. Estimation of nocturnal CO2 and N2O soil emissions from changes in surface boundary layer mass storage

    Science.gov (United States)

    Grant, Richard H.; Omonode, Rex A.

    2018-04-01

    Annual budgets of greenhouse and other trace gases require knowledge of the emissions throughout the year. Unfortunately, emissions into the surface boundary layer during stable, calm nocturnal periods are not measurable using most micrometeorological methods due to non-stationarity and uncoupled flow. However, during nocturnal periods with very light winds, carbon dioxide (CO2) and nitrous oxide (N2O) frequently accumulate near the surface and this mass accumulation can be used to determine emissions. Gas concentrations were measured at four heights (one within and three above canopy) and turbulence was measured at three heights above a mature 2.5 m maize canopy from 23 July to 10 September 2015. Nocturnal CO2 and N2O fluxes from the canopy were determined using the accumulation of mass within a 6.3 m control volume and out the top of the control volume within the nocturnal surface boundary layer. Diffusive fluxes were estimated by flux gradient method. The total accumulative and diffusive fluxes during near-calm nights (friction velocities CO2 and 0.53 nmol m-2 s-1 N2O. Fluxes were also measured using chambers. Daily mean CO2 fluxes determined by the accumulation method were 90 to 130 % of those determined using soil chambers. Daily mean N2O fluxes determined by the accumulation method were 60 to 80 % of that determined using soil chambers. The better signal-to-noise ratios of the chamber method for CO2 over N2O, non-stationary flow, assumed Schmidt numbers, and anemometer tilt were likely contributing reasons for the differences in chambers versus accumulated nocturnal mass flux estimates. Near-surface N2O accumulative flux measurements in more homogeneous regions and with greater depth are needed to confirm the conclusion that mass accumulation can be effectively used to estimate soil emissions during nearly calm nights.

  5. Oligo-Alginate with Low Molecular Mass Improves Growth and Physiological Activity of Eucomis autumnalis under Salinity Stress

    Directory of Open Access Journals (Sweden)

    Piotr Salachna

    2018-04-01

    Full Text Available Biopolymers have become increasingly popular as biostimulators of plant growth. One of them, oligo-alginate, is a molecule that regulates plant biological processes and may be used in horticultural practice as a plant growth regulator. Biostimulators are mainly used to improve plant tolerance to abiotic stresses, including salinity. The aim of the study was to assess the effects of salinity and oligo-alginate of various molecular masses on the growth and physiological activity of Eucomis autumnalis. The species is an ornamental and medicinal plant that has been used for a long time in the traditional medicine of South Africa. The bulbs of E. autumnalis were coated using depolymerized sodium alginate of molecular mass 32,000; 42,000, and 64,000 g mol−1. All of these oligo-alginates fractions stimulated plant growth, and the effect was the strongest for the fraction of 32,000 g mol−1. This fraction was then selected for the second stage of the study, when plants were exposed to salt stress evoked by the presence of 100 mM NaCl. We found that the oligo-alginate coating mitigated the negative effects of salinity. Plants treated with the oligomer and watered with NaCl showed smaller reduction in the weight of the above-ground parts and bulbs, pigment content and antioxidant activity as compared with those not treated with the oligo-alginate. The study demonstrated for the first time that low molecular mass oligo-alginate may be used as plant biostimulator that limits negative effects of salinity in E. autumnalis.

  6. Molecular species composition of plant cardiolipin determined by liquid chromatography mass spectrometry

    Science.gov (United States)

    Zhou, Yonghong; Peisker, Helga

    2016-01-01

    Cardiolipin (CL), an anionic phospholipid of the inner mitochondrial membrane, provides essential functions for stabilizing respiratory complexes and is involved in mitochondrial morphogenesis and programmed cell death in animals. The role of CL and its metabolism in plants are less well understood. The measurement of CL in plants, including its molecular species composition, is hampered by the fact that CL is of extremely low abundance, and that plants contain large amounts of interfering compounds including galactolipids, neutral lipids, and pigments. We used solid phase extraction by anion exchange chromatography to purify CL from crude plant lipid extracts. LC/MS was used to determine the content and molecular species composition of CL. Thus, up to 23 different molecular species of CL were detected in different plant species, including Arabidopsis, mung bean, spinach, barley, and tobacco. Similar to animals, plant CL is dominated by highly unsaturated species, mostly containing linoleic and linolenic acid. During phosphate deprivation or exposure to an extended dark period, the amount of CL decreased in Arabidopsis, accompanied with an increased degree in unsaturation. The mechanism of CL remodeling during stress, and the function of highly unsaturated CL molecular species, remains to be defined. PMID:27179363

  7. Feedback from deeply embedded low- and high-mass protostars. Surveying hot molecular gas with Herschel

    NARCIS (Netherlands)

    Karska, Agata

    2014-01-01

    Protostars interact violently with their natal cocoons within dense molecular clouds. Characterizing this feedback is key to understanding the efficiency of the star formation process and the chemical processing of material that will be available for planet formation. In this thesis, the imprints

  8. The molecular mass of dextran used to modify magnetite nanoparticles affects insulin amyloid aggregation

    Czech Academy of Sciences Publication Activity Database

    Sipošová, K.; Pospíšková, K.; Bednáriková, Z.; Šafařík, Ivo; Šafaříková, Miroslava; Kubovčíková, M.; Kopčanský, P.; Gázová, Z.

    2017-01-01

    Roč. 427, April (2017), s. 48-53 ISSN 0304-8853 Institutional support: RVO:60077344 Keywords : amyloid aggregation * nanoparticles * magnetic fluid * dextran * insulin Subject RIV: CE - Biochemistry OBOR OECD: Biochemistry and molecular biology Impact factor: 2.630, year: 2016

  9. Precision spectroscopy of molecular hydrogen ions : Towards frequency metrology of particle masses

    NARCIS (Netherlands)

    Roth, B.; Koelemeij, J.; Schiller, S.; Hilico, L.; Karr, Jean Philippe; Korobov, V.I.; Bakalov, D.

    2008-01-01

    We describe the current status of high-precision ab initio calculations of the spectra of molecular hydrogen ions (H2+ and HD+) and of two experiments for vibrational spectroscopy. The perspectives for a comparison between theory and experiment at a level of 1 part in 109 are considered.

  10. DXA, bioelectrical impedance, ultrasonography and biometry for the estimation of fat and lean mass in cats during weight loss

    Directory of Open Access Journals (Sweden)

    Borges Naida C

    2012-07-01

    Full Text Available Abstract Background Few equations have been developed in veterinary medicine compared to human medicine to predict body composition. The present study was done to evaluate the influence of weight loss on biometry (BIO, bioimpedance analysis (BIA and ultrasonography (US in cats, proposing equations to estimate fat (FM and lean (LM body mass, as compared to dual energy x-ray absorptiometry (DXA as the referenced method. For this were used 16 gonadectomized obese cats (8 males and 8 females in a weight loss program. DXA, BIO, BIA and US were performed in the obese state (T0; obese animals, after 10% of weight loss (T1 and after 20% of weight loss (T2. Stepwise regression was used to analyze the relationship between the dependent variables (FM, LM determined by DXA and the independent variables obtained by BIO, BIA and US. The better models chosen were evaluated by a simple regression analysis and means predicted vs. determined by DXA were compared to verify the accuracy of the equations. Results The independent variables determined by BIO, BIA and US that best correlated (p r2, 19 equations were selected (12 for FM, 7 for LM; however, only 7 equations accurately predicted FM and one LM of cats. Conclusions The equations with two variables are better to use because they are effective and will be an alternative method to estimate body composition in the clinical routine. For estimated lean mass the equations using body weight associated with biometrics measures can be proposed. For estimated fat mass the equations using body weight associated with bioimpedance analysis can be proposed.

  11. Equivalent molecular mass of cytosolic and nuclear forms of Ah receptor from Hepa-1 cells determined by photoaffinity labeling with 2,3,7,8-[3H]tetrachlorodibenzo-p-dioxin

    International Nuclear Information System (INIS)

    Prokipcak, R.D.; Okey, A.B.

    1990-01-01

    The structure of the Ah receptor previously has been extensively characterized by reversible binding of the high affinity ligand 2,3,7,8-tetrachlorodibenzo-p-dioxin. We report the use of [ 3 H]2,3,7,8-tetrachlorodibenzo-p-dioxin as a photoaffinity ligand for Ah receptor from the mouse hepatoma cell line Hepa-1c1c9. Both cytosolic and nuclear forms of Ah receptor could be specifically photoaffinity-labeled, which allowed determination of molecular mass for the two forms under denaturing conditions. After analysis by fluorography of polyacrylamide gels run in the presence of sodium dodecyl sulfate, molecular mass for the cytosolic form of Ah receptor was estimated at 92,000 +/- 4,300 and that for the nuclear form was estimated at 93,500 +/- 3,400. Receptor in mixture of cytosol and nuclear extract (each labeled separately with [ 3 H]2,3,7,8-tetrachlorodibenzo-p-dioxin) migrated as a single band. These results are consistent with the presence of a common ligand-binding subunit of identical molecular mass in both cytosolic and nuclear complexes

  12. Assessing the regional impact of indonesian biomass burning emissions based on organic molecular tracers and chemical mass balance modeling

    Science.gov (United States)

    Engling, G.; He, J.; Betha, R.; Balasubramanian, R.

    2014-08-01

    Biomass burning activities commonly occur in Southeast Asia (SEA), and are particularly intense in Indonesia during the dry seasons. The effect of biomass smoke emissions on air quality in the city state of Singapore was investigated during a haze episode in October 2006. Substantially increased levels of airborne particulate matter (PM) and associated chemical species were observed during the haze period. Specifically, the enhancement in the concentration of molecular tracers for biomass combustion such as levoglucosan by as much as two orders of magnitude and the diagnostic ratios of individual organic compounds indicated that biomass burning emissions caused a regional smoke haze episode due to their long-range transport by prevailing winds. With the aid of air mass backward trajectories and chemical mass balance modeling, large-scale forest and peat fires in Sumatra and Kalimantan were identified as the sources of the smoke aerosol, exerting a significant impact on air quality in downwind areas, such as Singapore.

  13. The observation of quasi-molecular ions from a tiger snake venom component (Msub(r) 13309) using 252Cf-plasma desorption mass spectrometry

    International Nuclear Information System (INIS)

    Kamensky, I.; Haakansson, P.; Kjellberg, J.; Sundqvist, B.; Fohlman, J.; Peterson, P.A.

    1983-01-01

    A method involving fast heavy-ion bombardment of a solid sample called 252 Cf-plasma desorption mass spectrometry has been used to study a non-enzymatic, non-toxic phospholipase homolog from Australian tiger snake (Notechis scutatus) venom. The protein consists of 119 amino acids in a single polypeptide chain cross-linked by 7 disulfide bridges. The isotopically averaged molecular mass as determined by protein sequence analysis is 13309 atomic mass units (amu). The mass distributions were studied by means of time-of-flight measurements. Quasi-molecular ions associated to the molecule and its dimer were observed. The mass of the quasi-molecular ion corresponding to the molecule was determined to be 13285 +- 25 amu. (Auth.)

  14. Titan's organic aerosols: Molecular composition and structure of laboratory analogues inferred from pyrolysis gas chromatography mass spectrometry analysis

    Science.gov (United States)

    Morisson, Marietta; Szopa, Cyril; Carrasco, Nathalie; Buch, Arnaud; Gautier, Thomas

    2016-10-01

    Analogues of Titan's aerosols are of primary interest in the understanding of Titan's atmospheric chemistry and climate, and in the development of in situ instrumentation for future space missions. Numerous studies have been carried out to characterize laboratory analogues of Titan aerosols (tholins), but their molecular composition and structure are still poorly known. If pyrolysis gas chromatography mass spectrometry (pyr-GCMS) has been used for years to give clues about their chemical composition, highly disparate results were obtained with this technique. They can be attributed to the variety of analytical conditions used for pyr-GCMS analyses, and/or to differences in the nature of the analogues analyzed, that were produced with different laboratory set-ups under various operating conditions. In order to have a better description of Titan's tholin's molecular composition by pyr-GCMS, we carried out a systematic study with two major objectives: (i) exploring the pyr-GCMS analytical parameters to find the optimal ones for the detection of a wide range of chemical products allowing a characterization of the tholins composition as comprehensive as possible, and (ii) highlighting the role of the CH4 ratio in the gaseous reactive medium on the tholin's molecular structure. We used a radio-frequency plasma discharge to synthetize tholins with different concentrations of CH4 diluted in N2. The samples were pyrolyzed at temperatures covering the 200-700°C range. The extracted gases were then analyzed by GCMS for their molecular identification. The optimal pyrolysis temperature for characterizing the molecular composition of our tholins by GCMS analysis is found to be 600°C. This temperature choice results from the best compromise between the number of compounds released, the quality of the signal and the appearance of pyrolysis artifacts. About a hundred molecules are identified as pyrolysates. A common major chromatographic pattern appears clearly for all the

  15. Estimation of air-water gas exchange coefficient in a shallow lagoon based on 222Rn mass balance.

    Science.gov (United States)

    Cockenpot, S; Claude, C; Radakovitch, O

    2015-05-01

    The radon-222 mass balance is now commonly used to quantify water fluxes due to Submarine Groundwater Discharge (SGD) in coastal areas. One of the main loss terms of this mass balance, the radon evasion to the atmosphere, is based on empirical equations. This term is generally estimated using one among the many empirical equations describing the gas transfer velocity as a function of wind speed that have been proposed in the literature. These equations were, however, mainly obtained from areas of deep water and may be less appropriate for shallow areas. Here, we calculate the radon mass balance for a windy shallow coastal lagoon (mean depth of 6m and surface area of 1.55*10(8) m(2)) and use these data to estimate the radon loss to the atmosphere and the corresponding gas transfer velocity. We present new equations, adapted to our shallow water body, to express the gas transfer velocity as a function of wind speed at 10 m height (wind range from 2 to 12.5 m/s). When compared with those from the literature, these equations fit particularly well with the one of Kremer et al. (2003). Finally, we emphasize that some gas transfer exchange may always occur, even for conditions without wind. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Sensitivity of Glacier Mass Balance Estimates to the Selection of WRF Cloud Microphysics Parameterization in the Indus River Watershed

    Science.gov (United States)

    Johnson, E. S.; Rupper, S.; Steenburgh, W. J.; Strong, C.; Kochanski, A.

    2017-12-01

    Climate model outputs are often used as inputs to glacier energy and mass balance models, which are essential glaciological tools for testing glacier sensitivity, providing mass balance estimates in regions with little glaciological data, and providing a means to model future changes. Climate model outputs, however, are sensitive to the choice of physical parameterizations, such as those for cloud microphysics, land-surface schemes, surface layer options, etc. Furthermore, glacier mass balance (MB) estimates that use these climate model outputs as inputs are likely sensitive to the specific parameterization schemes, but this sensitivity has not been carefully assessed. Here we evaluate the sensitivity of glacier MB estimates across the Indus Basin to the selection of cloud microphysics parameterizations in the Weather Research and Forecasting Model (WRF). Cloud microphysics parameterizations differ in how they specify the size distributions of hydrometeors, the rate of graupel and snow production, their fall speed assumptions, the rates at which they convert from one hydrometeor type to the other, etc. While glacier MB estimates are likely sensitive to other parameterizations in WRF, our preliminary results suggest that glacier MB is highly sensitive to the timing, frequency, and amount of snowfall, which is influenced by the cloud microphysics parameterization. To this end, the Indus Basin is an ideal study site, as it has both westerly (winter) and monsoonal (summer) precipitation influences, is a data-sparse region (so models are critical), and still has lingering questions as to glacier importance for local and regional resources. WRF is run at a 4 km grid scale using two commonly used parameterizations: the Thompson scheme and the Goddard scheme. On average, these parameterizations result in minimal differences in annual precipitation. However, localized regions exhibit differences in precipitation of up to 3 m w.e. a-1. The different schemes also impact the

  17. Migration of antioxidants from polylactic acid films, a parameter estimation approach: Part I - A model including convective mass transfer coefficient.

    Science.gov (United States)

    Samsudin, Hayati; Auras, Rafael; Burgess, Gary; Dolan, Kirk; Soto-Valdez, Herlinda

    2018-03-01

    A two-step solution based on the boundary conditions of Crank's equations for mass transfer in a film was developed. Three driving factors, the diffusion (D), partition (K p,f ) and convective mass transfer coefficients (h), govern the sorption and/or desorption kinetics of migrants from polymer films. These three parameters were simultaneously estimated. They provide in-depth insight into the physics of a migration process. The first step was used to find the combination of D, K p,f and h that minimized the sums of squared errors (SSE) between the predicted and actual results. In step 2, an ordinary least square (OLS) estimation was performed by using the proposed analytical solution containing D, K p,f and h. Three selected migration studies of PLA/antioxidant-based films were used to demonstrate the use of this two-step solution. Additional parameter estimation approaches such as sequential and bootstrap were also performed to acquire a better knowledge about the kinetics of migration. The proposed model successfully provided the initial guesses for D, K p,f and h. The h value was determined without performing a specific experiment for it. By determining h together with D, under or overestimation issues pertaining to a migration process can be avoided since these two parameters are correlated. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Preparation of the low molecular weight serum proteome for mass spectrometry analysis.

    Science.gov (United States)

    Waybright, Timothy J; Chan, King C; Veenstra, Timothy D; Xiao, Zhen

    2013-01-01

    The discovery of viable biomarkers or indicators of disease states is complicated by the inherent complexity of the chosen biological specimen. Every sample, whether it is serum, plasma, urine, tissue, cells, or a host of others, contains thousands of large and small components, each interacting in multiple ways. The need to concentrate on a group of these components to narrow the focus on a potential biomarker candidate becomes, out of necessity, a priority, especially in the search for immune-related low molecular weight serum biomarkers. One such method in the field of proteomics is to divide the sample proteome into groups based on the size of the protein, analyze each group, and mine the data for statistically significant items. This chapter details a portion of this method, concentrating on a method for fractionating and analyzing the low molecular weight proteome of human serum.

  19. Tracing early evolutionary stages of high-mass star formation with molecular lines

    NARCIS (Netherlands)

    Marseille, M. G.; van der Tak, F. F. S.; Herpin, F.; Jacq, T.

    2010-01-01

    Context. Despite its major role in the evolution of the interstellar medium, the formation of high-mass stars (M >= 10 M(circle dot)) remains poorly understood. Two types of massive star cluster precursors, the so-called massive dense cores (MDCs), have been observed, which differ in terms of their

  20. Alterations in molecular muscle mass regulators after 8 days immobilizing Special Forces mission

    DEFF Research Database (Denmark)

    Jespersen, J. G.; Mikkelsen, Ulla Ramer; Nedergaard, A.

    2015-01-01

    In military operations, declined physical capacity can endanger the life of soldiers. During special support and reconnaissance (SSR) missions, Special Forces soldiers sustain 1-2 weeks full-body horizontal immobilization, which impairs muscle strength and performance. Adequate muscle mass and st...

  1. Mixtures of nonionic and anionic surfactants: interactions with low-molecular-mass homopeptides

    Czech Academy of Sciences Publication Activity Database

    Forgács, E.; Cserháti, T.; Deyl, Zdeněk; Mikšík, Ivan; Eckhardt, Adam

    2001-01-01

    Roč. 917, 1-2 (2001), s. 287-295 ISSN 0021-9673 R&D Projects: GA ČR GV203/96/K128; GA ČR GA203/99/0191; GA ČR GA203/00/D032 Institutional research plan: CEZ:AV0Z5011922 Keywords : molecular interactions * regression analysis * surfactants Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.793, year: 2001

  2. Uncertainty of mass discharge estimation from contaminated sites at screening level

    DEFF Research Database (Denmark)

    Thomsen, Nanna Isbak; Troldborg, M.; McKnight, Ursula S.

    Contaminated sites threaten groundwater resources worldwide. The number of contaminated sites is large and there are too few economic resources available to ensure a thorough investigation and remediation of them all. Risk assessment must already be done at a screening level in order to ensure...... consider possible source and hydrogeological descriptions, where each model is believed to be a realistic representation of the given site, based on the current level of information. Parameter uncertainty is quantified using Monte Carlo simulations. For each conceptual model we calculate a transient mass...

  3. Estimation of Engine Intake Air Mass Flow using a generic Speed-Density method

    OpenAIRE

    Vojtíšek Michal; Kotek Martin

    2014-01-01

    Measurement of real driving emissions (RDE) from internal combustion engines under real-world operation using portable, onboard monitoring systems (PEMS) is becoming an increasingly important tool aiding the assessment of the effects of new fuels and technologies on environment and human health. The knowledge of exhaust flow is one of the prerequisites for successful RDE measurement with PEMS. One of the simplest approaches for estimating the exhaust flow from virtually any engine is its comp...

  4. Method for the elucidation of the elemental composition of low molecular mass chemicals using exact masses of product ions and neutral losses: application to environmental chemicals measured by liquid chromatography with hybrid quadrupole/time-of-flight mass spectrometry.

    Science.gov (United States)

    Suzuki, Shigeru; Ishii, Tetsuko; Yasuhara, Akio; Sakai, Shinichi

    2005-01-01

    A method for elucidating the elemental compositions of low molecular weight chemicals, based primarily on mass measurements made using liquid chromatography (LC) with time-of-flight mass spectrometry (TOFMS) and quadrupole/time-of-flight mass spectrometry (LC/QTOFMS), was developed and tested for 113 chemicals of environmental interest with molecular masses up to approximately 400 Da. As the algorithm incorporating the method is not affected by differences in the instrument used, or by the ionization method and other ionization conditions, the method is useful not only for LC/TOFMS, but also for all kinds of mass spectra measured with higher accuracy and precision (uncertainties of a few mDa) employing all ionization methods and on-line separation techniques. The method involves calculating candidate compositions for intact ionized molecules (ionized forms of the sample molecule that have lost or gained no more than a proton, i.e., [M+H](+) or [M-H](-)) as well as for fragment ions and corresponding neutral losses, and eliminating those atomic compositions for the molecules that are inconsistent with the corresponding candidate compositions of fragment ions and neutral losses. Candidate compositions were calculated for the measured masses of the intact ionized molecules and of the fragment ions and corresponding neutral losses, using mass uncertainties of 2 and 5 mDa, respectively. Compositions proposed for the ionized molecule that did not correspond to the sum of the compositions of a candidate fragment ion and its corresponding neutral loss were discarded. One, 2-5, 6-10, 11-20, and >20 candidate compositions were found for 65%, 39%, 1%, 1%, and 0%, respectively, for the 124 ionized molecules formed from the 113 chemicals tested (both positive and negative ions were obtained from 11 of the chemicals). However, no candidate composition was found for 2% of the test cases (i.e., 3 chemicals), for each of which the measured mass of one of the product ions was in

  5. Development and Cross-Validation of Equation for Estimating Percent Body Fat of Korean Adults According to Body Mass Index

    Directory of Open Access Journals (Sweden)

    Hoyong Sung

    2017-06-01

    Full Text Available Background : Using BMI as an independent variable is the easiest way to estimate percent body fat. Thus far, few studies have investigated the development and cross-validation of an equation for estimating the percent body fat of Korean adults according to the BMI. The goals of this study were the development and cross-validation of an equation for estimating the percent fat of representative Korean adults using the BMI. Methods : Samples were obtained from the Korea National Health and Nutrition Examination Survey between 2008 and 2011. The samples from 2008-2009 and 2010-2011 were labeled as the validation group (n=10,624 and the cross-validation group (n=8,291, respectively. The percent fat was measured using dual-energy X-ray absorptiometry, and the body mass index, gender, and age were included as independent variables to estimate the measured percent fat. The coefficient of determination (R², standard error of estimation (SEE, and total error (TE were calculated to examine the accuracy of the developed equation. Results : The cross-validated R² was 0.731 for Model 1 and 0.735 for Model 2. The SEE was 3.978 for Model 1 and 3.951 for Model 2. The equations developed in this study are more accurate for estimating percent fat of the cross-validation group than those previously published by other researchers. Conclusion : The newly developed equations are comparatively accurate for the estimation of the percent fat of Korean adults.

  6. Artificial neural networks can learn to estimate extinction rates from molecular phylogenies

    NARCIS (Netherlands)

    Bokma, Folmer

    2006-01-01

    Molecular phylogenies typically consist of only extant species, yet they allow inference of past rates of extinction, because. recently originated species are less likely to be extinct than ancient species. Despite the simple structure of the assumed underlying speciation-extinction process,

  7. Estimating Regional Mass Balance of Himalayan Glaciers Using Hexagon Imagery: An Automated Approach

    Science.gov (United States)

    Maurer, J. M.; Rupper, S.

    2013-12-01

    Currently there is much uncertainty regarding the present and future state of Himalayan glaciers, which supply meltwater for river systems vital to more than 1.4 billion people living throughout Asia. Previous assessments of regional glacier mass balance in the Himalayas using various remote sensing and field-based methods give inconsistent results, and most assessments are over relatively short (e.g., single decade) timescales. This study aims to quantify multi-decadal changes in volume and extent of Himalayan glaciers through efficient use of the large database of declassified 1970-80s era Hexagon stereo imagery. Automation of the DEM extraction process provides an effective workflow for many images to be processed and glacier elevation changes quantified with minimal user input. The tedious procedure of manual ground control point selection necessary for block-bundle adjustment (as ephemeral data is not available for the declassified images) is automated using the Maximally Stable Extremal Regions algorithm, which matches image elements between raw Hexagon images and georeferenced Landsat 15 meter panchromatic images. Additional automated Hexagon DEM processing, co-registration, and bias correction allow for direct comparison with modern ASTER and SRTM elevation data, thus quantifying glacier elevation and area changes over several decades across largely inaccessible mountainous regions. As consistent methodology is used for all glaciers, results will likely reveal significant spatial and temporal patterns in regional ice mass balance. Ultimately, these findings could have important implications for future water resource management in light of environmental change.

  8. Optical spectrum of HDE 226868 = Cygnus X-1. II. Spectrophotometry and mass estimates

    International Nuclear Information System (INIS)

    Gies, D.R.; Bolton, C.T.

    1986-01-01

    In part I of this series, Gies and Bolton (1982) have presented the results of radial velocity measures of 78 high-dispersion spectrograms of HDE 226868 = Cyg X-1. For the present study, 55 of the best plates considered by Gies and Bolton were selected to form 10 average spectra. An overall mean spectrum with S/N ratio = 300 was formed by coadding the 10 averaged spectra. There is no evidence for statistically significant variations of the spectral type about the mean value of 09.7 Iab, and all the absorption line strengths are normal for the spectral type. Evidence is presented that the He II lambda 4846 emission line is formed in the stellar wind above the substellar point on the visible star. Probable values regarding the mass for the visible star and its companion are 33 and 16 solar masses, respectively. Theoretical He II lambda 4686 emission line profiles are computed for the focused stellar wind model for the Cyg X-1 system considered by Friend and Castor (1982). 105 references

  9. Weathering trend characterization of medium-molecular weight polycyclic aromatic disulfur heterocycles by Fourier transform ion cyclotron resonance mass spectrometry.

    Science.gov (United States)

    Hegazi, Abdelrahman H; Fathalla, Eiman M; Andersson, Jan T

    2014-09-01

    Different weathering factors act to change petroleum composition once it is spilled into the environment. n-Alkanes, biomarkers, low-molecular weight polyaromatic hydrocarbons and sulfur heterocycles compositional changing in the environment have been extensively studied by different researchers and many parameters have been used for oil source identification and monitoring of weathering and biological degradation processes. In this work, we studied the fate of medium-molecular weight polycyclic aromatic disulfur heterocycles (PAS2Hs), up to ca. 900Da, of artificially weathered Flotta North Sea crude oil by ultra high-resolution Fourier transform ion cyclotron resonance mass spectrometry. It was found that PAS2Hs in studied crude oil having double bond equivalents (DBE) from 5 to 8 with a mass range from ca 316 to 582Da were less influenced even after six months artificial weathering experiment. However, compounds having DBEs 12, 11 and 10 were depleted after two, four and six months weathering, respectively. In addition, DBE 9 series was more susceptible to weathering than those of DBE 7 and 8. Copyright © 2014 Elsevier Ltd. All rights reserved.

  10. Molecular mass distribution and epitopes of the beta lactoglobulin submitted to hydrolysis pre-transglutaminase treatment

    International Nuclear Information System (INIS)

    Villas-Boas, M.B.; Zollner, R.L.; Netto, F.M.; Paes Leme, A.F.; Benede, S.; Molina, E.

    2012-01-01

    Full text: The β-Lactoglobulin (β-Lg) is a whey protein with important nutritional proper ties but very resistant to pepsin digestion and consequently highly antigenic. This protein can be modified by transglutaminase (TG) although it is required a pretreatment to increase their susceptibility to the TG action. In the present study the hydrolysis pre-TG treatment was used to improve the TG accessibility on β-Lg and the MM distribution and antigenic fragments were evaluated. For pre-TG treatment, the β-Lg (Davisco Inc.) was hydrolyzed with bromelain (3% of β-Lg w/w in distilled water; 25 U enzyme g 1 of substrate, pH 7.5, 240 min) and then polymerized by TG (7% hydrolysate, 10U TG g 1 protein, 50 C/180 min). The samples were evaluated by SDS-PAGE/tricine and by RP-nanoUPLC (nanoAcquity UPLC, Waters) coupled with nano-electrospray tandem mass spectrometry on a Q-Tof Ultima API mass spectrometer (MicroMass/Waters) at LNBio. The products were also submitted to pepsin digestion and the peptide identification was performed by RP-HPLC-tandem mass spectrometry (RP-HPLC-MS/MS, Brucker) with support from CIAL. The β-Lg hydrolysed by bromelain and polymerized by TG had a broad MM distribution. The intact mass analysis indicated that the non modified βLg -A showed 18.362 Da and the non modified βLg -B 18.274 Da, which is in agreement with the theoretical corresponding masses. The use of bromelain pre-TG treatment resulted in polymers with MM from 61.052 to 67.654 Da, although some non modified protein was still present. In addition, the non modified β-Lg showed fragments that present high antigenicity (such as Leu 95 - Leu 104 , Asp 95 - Phe 105 , Tyr 42 - Leu 54 , lle 29 - Val 41 ), previously identified as IgE-binding epitopes. After hydrolysis following by TG treatment the fragment Tyr 42 - Leu 54 was still present, however the other fragments that were observed in the non modified β-Lg were not detected by LC-MS/MS, suggesting that structural change occurred in

  11. Molecular mass distribution and epitopes of the beta lactoglobulin submitted to hydrolysis pre-transglutaminase treatment

    Energy Technology Data Exchange (ETDEWEB)

    Villas-Boas, M.B.; Zollner, R.L.; Netto, F.M. [Universidade Estadual de Campinas (UNICAMP), SP (Brazil); Paes Leme, A.F. [Laboratorio Nacional de Luz Sincrotron (LNLS), Campinas, SP (Brazil); Benede, S.; Molina, E. [Universidad Autonoma de Madrid (Spain)

    2012-07-01

    Full text: The {beta}-Lactoglobulin ({beta}-Lg) is a whey protein with important nutritional proper ties but very resistant to pepsin digestion and consequently highly antigenic. This protein can be modified by transglutaminase (TG) although it is required a pretreatment to increase their susceptibility to the TG action. In the present study the hydrolysis pre-TG treatment was used to improve the TG accessibility on {beta}-Lg and the MM distribution and antigenic fragments were evaluated. For pre-TG treatment, the {beta}-Lg (Davisco Inc.) was hydrolyzed with bromelain (3% of {beta}-Lg w/w in distilled water; 25 U enzyme g{sup 1} of substrate, pH 7.5, 240 min) and then polymerized by TG (7% hydrolysate, 10U TG g{sup 1} protein, 50 C/180 min). The samples were evaluated by SDS-PAGE/tricine and by RP-nanoUPLC (nanoAcquity UPLC, Waters) coupled with nano-electrospray tandem mass spectrometry on a Q-Tof Ultima API mass spectrometer (MicroMass/Waters) at LNBio. The products were also submitted to pepsin digestion and the peptide identification was performed by RP-HPLC-tandem mass spectrometry (RP-HPLC-MS/MS, Brucker) with support from CIAL. The {beta}-Lg hydrolysed by bromelain and polymerized by TG had a broad MM distribution. The intact mass analysis indicated that the non modified {beta}Lg -A showed 18.362 Da and the non modified {beta}Lg -B 18.274 Da, which is in agreement with the theoretical corresponding masses. The use of bromelain pre-TG treatment resulted in polymers with MM from 61.052 to 67.654 Da, although some non modified protein was still present. In addition, the non modified {beta}-Lg showed fragments that present high antigenicity (such as Leu{sub 95} - Leu{sub 104}, Asp{sub 95} - Phe{sub 105}, Tyr{sub 42} - Leu{sub 54}, lle{sub 29} - Val{sub 41}), previously identified as IgE-binding epitopes. After hydrolysis following by TG treatment the fragment Tyr{sub 42} - Leu{sub 54} was still present, however the other fragments that were observed in the non

  12. Liquid chromatography/tandem mass spectrometry method for quantitative estimation of solutol HS15 and its applications

    OpenAIRE

    Bhaskar, V. Vijaya; Middha, Anil; Srivastava, Pratima; Rajagopal, Sriram

    2015-01-01

    A rapid, sensitive and selective pseudoMRM (pMRM)-based method for the determination of solutol HS15 (SHS15) in rat plasma was developed using liquid chromatography/tandem mass spectrometry (LCâMS/MS). The most abundant ions corresponding to SHS15 free polyethyleneglycol (PEG) oligomers at m/z 481, 525, 569, 613, 657, 701, 745, 789, 833, 877, 921 and 965 were selected for pMRM in electrospray mode of ionization. Purity of the lipophilic and hydrophilic components of SHS15 was estimated using ...

  13. A hybrid algorithm combining EKF and RLS in synchronous estimation of road grade and vehicle' mass for a hybrid electric bus

    Science.gov (United States)

    Sun, Yong; Li, Liang; Yan, Bingjie; Yang, Chao; Tang, Gongyou

    2016-02-01

    This paper proposes a novel hybrid algorithm for simultaneously estimating the vehicle mass and road grade for hybrid electric bus (HEB). First, the road grade in current step is estimated using extended Kalman filter (EKF) with the initial state including velocity and engine torque. Second, the vehicle mass is estimated twice, one with EKF and the other with recursive least square (RLS) using the estimated road grade. A more accurate value of the estimated mass is acquired by weighting the trade-off between EKF and RLS. Finally, the road grade and vehicle mass thus obtained are used as the initial states for the next step, and two variables could be decoupled from the nonlinear vehicle dynamics by performing the above procedure repeatedly. Simulation results show that in different starting conditions, the proposed algorithm provides higher accuracy and faster convergence speed, compared with the results using EKF or RLS alone.

  14. Chemical modification of DNA: Molecular specificity studied by tandem mass spectrometry and liquid chromatography

    International Nuclear Information System (INIS)

    Chang, Ching-jer; Cooks, R.G.; Chae, Whi-Gun; Wood, J.M.

    1989-01-01

    Chemical modifications of DNA in vitro could be directly studied by C-13 NMR and P-31 NMR, which eliminated all degradation and separation processes. The prospects of utilized the NMR method in the in vitro experiments are limited because of the inherent low sensitivity of NMR and low level of DNA modification. We have developed a reverse-phase ion-paired HPLC method to study DNA modifications by methylating agents. The structural specificity of HPLC is significantly enhanced by conjunction with the specificity of enzymic transformations. The HPLC studies have also revealed the limitation of HPLC method for simultaneous determination of many minor modified nucleosides. This problem has been overcome by tandem mass spectrometry. In conjunction with the resolving power of HPLC in separating isomers, desorption chemical ionization tandem mass spectrometry has been utilized in the determination of the modified nucleosides at the picomole level using stable-isotope labeled compounds as internal references

  15. Mass Spectrometry Imaging of low Molecular Weight Compounds in Garlic (Allium sativum L.) with Gold Nanoparticle Enhanced Target.

    Science.gov (United States)

    Misiorek, Maria; Sekuła, Justyna; Ruman, Tomasz

    2017-11-01

    Garlic (Allium sativum) is the subject of many studies due to its numerous beneficial properties. Although compounds of garlic have been studied by various analytical methods, their tissue distributions are still unclear. Mass spectrometry imaging (MSI) appears to be a very powerful tool for the identification of the localisation of compounds within a garlic clove. Visualisation of the spatial distribution of garlic low-molecular weight compounds with nanoparticle-based MSI. Compounds occurring on the cross-section of sprouted garlic has been transferred to gold-nanoparticle enhanced target (AuNPET) by imprinting. The imprint was then subjected to MSI analysis. The results suggest that low molecular weight compounds, such as amino acids, dipeptides, fatty acids, organosulphur and organoselenium compounds are distributed within the garlic clove in a characteristic manner. It can be connected with their biological functions and metabolic properties in the plant. New methodology for the visualisation of low molecular weight compounds allowed a correlation to be made between their spatial distribution within a sprouted garlic clove and their biological function. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  16. Small renal masses: The molecular markers associated with outcome of patients with kidney tumors 7 cm or less

    Science.gov (United States)

    Spirina, L. V.; Usynin, Y. A.; Kondakova, I. V.; Yurmazov, Z. A.; Slonimskaya, E. M.; Pikalova, L. V.

    2016-08-01

    The investigation of molecular mechanisms of tumor cell behavior in small renal masses is required to achieve the better cancer survival. The aim of the study is to find molecular markers associated with outcome of patients with kidney tumors 7 cm or less. A homogenous group of 20 patients T1N0M0-1 (mean age 57.6 ± 2.2 years) with kidney cancer was selected for the present analysis. The content of transcription and growth factors was determined by ELISA. The levels of AKT-mTOR signaling pathway components were measured by Western blotting analysis. The molecular markers associated with unfavorable outcome of patients with kidney tumors 7 cm or less were high levels of NF-kB p50, NF-kB p65, HIF-1, HIF-2, VEGF and CAIX. AKT activation with PTEN loss also correlated with the unfavorable outcome of kidney cancer patients with tumor size 7 cm or less. It is observed that the biological features of kidney cancer could predict the outcome of patients.

  17. Estimating animal abundance in ground beef batches assayed with molecular markers.

    Directory of Open Access Journals (Sweden)

    Xin-Sheng Hu

    Full Text Available Estimating animal abundance in industrial scale batches of ground meat is important for mapping meat products through the manufacturing process and for effectively tracing the finished product during a food safety recall. The processing of ground beef involves a potentially large number of animals from diverse sources in a single product batch, which produces a high heterogeneity in capture probability. In order to estimate animal abundance through DNA profiling of ground beef constituents, two parameter-based statistical models were developed for incidence data. Simulations were applied to evaluate the maximum likelihood estimate (MLE of a joint likelihood function from multiple surveys, showing superiority in the presence of high capture heterogeneity with small sample sizes, or comparable estimation in the presence of low capture heterogeneity with a large sample size when compared to other existing models. Our model employs the full information on the pattern of the capture-recapture frequencies from multiple samples. We applied the proposed models to estimate animal abundance in six manufacturing beef batches, genotyped using 30 single nucleotide polymorphism (SNP markers, from a large scale beef grinding facility. Results show that between 411∼1367 animals were present in six manufacturing beef batches. These estimates are informative as a reference for improving recall processes and tracing finished meat products back to source.

  18. Adaptive Green-Kubo estimates of transport coefficients from molecular dynamics based on robust error analysis

    Science.gov (United States)

    Jones, Reese E.; Mandadapu, Kranthi K.

    2012-04-01

    We present a rigorous Green-Kubo methodology for calculating transport coefficients based on on-the-fly estimates of: (a) statistical stationarity of the relevant process, and (b) error in the resulting coefficient. The methodology uses time samples efficiently across an ensemble of parallel replicas to yield accurate estimates, which is particularly useful for estimating the thermal conductivity of semi-conductors near their Debye temperatures where the characteristic decay times of the heat flux correlation functions are large. Employing and extending the error analysis of Zwanzig and Ailawadi [Phys. Rev. 182, 280 (1969)], 10.1103/PhysRev.182.280 and Frenkel [in Proceedings of the International School of Physics "Enrico Fermi", Course LXXV (North-Holland Publishing Company, Amsterdam, 1980)] to the integral of correlation, we are able to provide tight theoretical bounds for the error in the estimate of the transport coefficient. To demonstrate the performance of the method, four test cases of increasing computational cost and complexity are presented: the viscosity of Ar and water, and the thermal conductivity of Si and GaN. In addition to producing accurate estimates of the transport coefficients for these materials, this work demonstrates precise agreement of the computed variances in the estimates of the correlation and the transport coefficient with the extended theory based on the assumption that fluctuations follow a Gaussian process. The proposed algorithm in conjunction with the extended theory enables the calculation of transport coefficients with the Green-Kubo method accurately and efficiently.

  19. Solar Radiation Pressure Estimation and Analysis of a GEO Class of High Area-to-Mass Ratio Debris Objects

    Science.gov (United States)

    Kelecy, Tom; Payne, Tim; Thurston, Robin; Stansbery, Gene

    2007-01-01

    A population of deep space objects is thought to be high area-to-mass ratio (AMR) debris having origins from sources in the geosynchronous orbit (GEO) belt. The typical AMR values have been observed to range anywhere from 1's to 10's of m(sup 2)/kg, and hence, higher than average solar radiation pressure effects result in long-term migration of eccentricity (0.1-0.6) and inclination over time. However, the nature of the debris orientation-dependent dynamics also results time-varying solar radiation forces about the average which complicate the short-term orbit determination processing. The orbit determination results are presented for several of these debris objects, and highlight their unique and varied dynamic attributes. Estimation or the solar pressure dynamics over time scales suitable for resolving the shorter term dynamics improves the orbit estimation, and hence, the orbit predictions needed to conduct follow-up observations.

  20. Estimation of groundwater recharge from the subsurface to the rock mass. A case study of Tono Mine Area, Gifu Prefecture

    International Nuclear Information System (INIS)

    Kobayashi, Koichi; Nakano, Katushi; Koide, Kaoru

    1996-01-01

    The groundwater flow analysis involve the groundwater recharge from the subsurface to the rock mass. According to water balance method, annual groundwater recharge is calculated by the remainder of annual evapotranspirator and river flow from annual precipitation. In this estimation, hydrological and meteorological data observed for 5 years on the watershed in Tono mine area is used. Annual precipitation ranges from 1,000 to 1,900 mm and annual river flow ranges from 400 to 1,300 mm, then river flow depends critically on precipitation. Annual evapotranspiration calculated by Penman method ranges from 400 to 500 mm. It is less fluctuant than annual precipitation. As the result of examination of water balance in subsurface zone estimated, annual ground water recharge ranges from 10 to 200 mm in this watershed. (author)

  1. MCCREEP - a model to estimate creep produced by microcracking around a cavity in an intact rock mass

    International Nuclear Information System (INIS)

    Wilkins, B.J.S.; Rigby, G.L.

    1991-11-01

    AECL Research is examining the disposal of nuclear fuel waste in a vault in plutonic rock. Models (MCDIRC and MCROC) have been developed to predict the mechanical behaviour of the rock in response to excavation and heat from the waste. The dominant mechanism of deformation at temperatures below 150 degrees C is microcracking, which results in rock creep and a decrease in rock strength. MCDIRC has been constructed to consider the perturbation of the stress state of intact rock by long cylindrical cavities. Slow crack-growth data are used to estimate time-dependent changes in rock strength, from which possible movements (creep strain) in the rock mass are estimated. MCDIRC depends on analytical solutions for stress-state perturbations. MCCREEP has been developed from MCDIRC and relies on the use of finite-element methods to solve for stress states. It is more flexible than MCDIRC and can deal with non-homogeneous rock properties and non-symmetrical cavities

  2. Organizing the Cellular and Molecular Heterogeneity in High Grade Serous Ovarian Cancer by Mass Cytometry

    Science.gov (United States)

    2015-10-01

    about more informed changes to treatment modalities. To accomplish this vision with HG-SOC, we are using a single cell technology , mass cytometry... extracted from the composite MST. Clusters are represented as bubbles, the size of which corresponds to the number of cells in the cluster. The level of...Fantl WJ, Nolan GP. Transient partial permeabilization with saponin enables cellular barcoding prior to surface marker staining. Cytometry A. 2014 Dec;85

  3. Nitrogen losses from dairy manure estimated through nitrogen mass balance and chemical markers

    Science.gov (United States)

    Hristov, Alexander N.; Zaman, S.; Vander Pol, M.; Ndegwa, P.; Campbell, L.; Silva, S.

    2009-01-01

    Ammonia is an important air and water pollutant, but the spatial variation in its concentrations presents technical difficulties in accurate determination of ammonia emissions from animal feeding operations. The objectives of this study were to investigate the relationship between ammonia volatilization and ??15N of dairy manure and the feasibility of estimating ammonia losses from a dairy facility using chemical markers. In Exp. 1, the N/P ratio in manure decreased by 30% in 14 d as cumulative ammonia losses increased exponentially. Delta 15N of manure increased throughout the course of the experiment and ??15N of emitted ammonia increased (p rights reserved.

  4. Effect of Using Different Vehicle Weight Groups on the Estimated Relationship Between Mass Reduction and U.S. Societal Fatality Risk per Vehicle Miles of Travel

    Energy Technology Data Exchange (ETDEWEB)

    Wenzel, Tom P. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Environmental Technologies Area. Building Technology and Urban Systems Division

    2016-08-22

    This report recalculates the estimated relationship between vehicle mass and societal fatality risk, using alternative groupings by vehicle weight, to test whether the trend of decreasing fatality risk from mass reduction as case vehicle mass increases, holds over smaller increments of the range in case vehicle masses. The NHTSA baseline regression model estimates the relationship using for two weight groups for cars and light trucks; we re-estimated the mass reduction coefficients using four, six, and eight bins of vehicle mass. The estimated effect of mass reduction on societal fatality risk was not consistent over the range in vehicle masses in these weight bins. These results suggest that the relationship indicated by the NHTSA baseline model is a result of other, unmeasured attributes of the mix of vehicles in the lighter vs. heavier weight bins, and not necessarily the result of a correlation between mass reduction and societal fatality risk. An analysis of the average vehicle, driver, and crash characteristics across the various weight groupings did not reveal any strong trends that might explain the lack of a consistent trend of decreasing fatality risk from mass reduction in heavier vehicles.

  5. ESIprot: a universal tool for charge state determination and molecular weight calculation of proteins from electrospray ionization mass spectrometry data.

    Science.gov (United States)

    Winkler, Robert

    2010-02-01

    Electrospray ionization (ESI) ion trap mass spectrometers with relatively low resolution are frequently used for the analysis of natural products and peptides. Although ESI spectra of multiply charged protein molecules also can be measured on this type of devices, only average spectra are produced for the majority of naturally occurring proteins. Evaluating such ESI protein spectra would provide valuable information about the native state of investigated proteins. However, no suitable and freely available software could be found which allows the charge state determination and molecular weight calculation of single proteins from average ESI-MS data. Therefore, an algorithm based on standard deviation optimization (scatter minimization) was implemented for the analysis of protein ESI-MS data. The resulting software ESIprot was tested with ESI-MS data of six intact reference proteins between 12.4 and 66.7 kDa. In all cases, the correct charge states could be determined. The obtained absolute mass errors were in a range between -0.2 and 1.2 Da, the relative errors below 30 ppm. The possible mass accuracy allows for valid conclusions about the actual condition of proteins. Moreover, the ESIprot algorithm demonstrates an extraordinary robustness and allows spectral interpretation from as little as two peaks, given sufficient quality of the provided m/z data, without the necessity for peak intensity data. ESIprot is independent from the raw data format and the computer platform, making it a versatile tool for mass spectrometrists. The program code was released under the open-source GPLv3 license to support future developments of mass spectrometry software. Copyright 2010 John Wiley & Sons, Ltd.

  6. Measurement of Leaf Mass and Leaf Area of Oaks In A Mediterranean-climate Region For Biogenic Emission Estimation

    Science.gov (United States)

    Karlik, J.

    Given the key role played by biogenic volatile organic compounds (BVOC) in tro- pospheric chemistry and regional air quality, it is critical to generate accurate BVOC emission inventories. Because several oak species have high BVOC emission rates, and oak trees are often of large stature with corresponding large leaf masses, oaks may be the most important genus of woody plants for BVOC emissions modeling in the natural landscapes of Mediterranean-climate regions. In California, BVOC emis- sions from oaks may mix with anthropogenic emissions from urban areas, leading to elevated levels of ozone. Data for leaf mass and leaf area for a stand of native blue oaks (Quercus douglasii) were obtained through harvest and leaf removal from 14 trees lo- cated in the Sierra Nevada foothills of central California. Trees ranged in height from 4.2 to 9.9 m, with trunk diameters at breast height of 14 to 85 cm. Mean leaf mass density was 730 g m-2 for the trees and had an overall value of 310 g m-2 for the site. Consideration of the surrounding grassland devoid of trees resulted in a value of about 150 g m-2, less than half of reported values for eastern U.S. oak woodlands, but close to a reported value for oaks found in St. Quercio, Italy. The mean value for leaf area index (LAI) for the trees at this site was 4.4 m2 m-2. LAI for the site was 1.8 m2 m-2, but this value was appropriate for the oak grove only; including the surrounding open grassland resulted in an overall LAI value of 0.9 m2 m-2 or less. A volumetric method worked well for estimating the leaf mass of the oak trees. Among allometric relationships investigated, trunk circumference, mean crown radius, and crown projec- tion were well correlated with leaf mass. Estimated emission of isoprene (mg C m-2 h-1) for the site based these leaf mass data and experimentally determined emission rate was similar to that reported for a Mediterranean oak woodland in France.

  7. Estimating mass of σ-meson and study on application of the linear σ-model

    International Nuclear Information System (INIS)

    Ding Yibing; Li Xin; Li Xueqian; Liu Xiang; Shen Hong; Shen Pengnian; Wang Guoli; Zeng Xiaoqiang

    2004-01-01

    Whether the σ-meson (f 0 (600)) exists as a real particle is a long-standing problem in both particle physics and nuclear physics. In this work, we analyse the deuteron binding energy in the linear σ-model and by fitting the data, we are able to determine the range of m σ and also investigate applicability of the linear σ-model for the interaction between hadrons in the energy region of MeVs. Our result shows that the best fit to the data of the deuteron binding energy and others advocates a narrow range for the σ-meson mass as 520 ≤ m σ ≤ 580 MeV and the concrete values depend on the input parameters such as the couplings. Inversely by fitting the experimental data, one can set constraints on the couplings and the other relevant phenomenological parameters in the model

  8. The recycling of heavy-metalcontaining wastes: Mass balances and economical estimations

    Science.gov (United States)

    Antrekowitsch, J.; Steinlechner, S.

    2011-01-01

    As environmental legislation has become stricter in recent decades, efforts for treating residues have also increased. The existing pyrometallurgical reprocessing methods for metal-containing wastes recover mainly only one valuable metal or produce low-grade byproducts. The aim of developing an economic process has to be the simultaneous recovery of more than one valuable metal and increased product quality. In the case of zinccontaining residues the goal has to be a high-quality zinc product. Moreover, the target is a nearly zero waste process and, accordingly, small amounts of generated residues. In this paper four possible secondary raw materials are compared regarding their mass and energy balance for a treatment in a carbon-containing metal bath. Furthermore, an evaluation of the economy is given for a neutral leaching residue, Waelz kiln slag, dust from secondary copper industry as well as an electro arc furnace dust from carbon steel production.

  9. Friction tensor for a pair of Brownian particles: Spurious finite-size effects and molecular dynamics estimates

    International Nuclear Information System (INIS)

    Bocquet, L.; Hansen, J.P.; Piasecki, J.

    1997-01-01

    In this work, we show that in any finite system, the binary friction tenser for two Brownian particles cannot be directly estimated from an evaluation of the microscopic Green Kubo formula, involving the time integral of force-force autocorrelation functions. This pitfall is associated with a subtle inversion of the thermodynamic and long-time limits and leads to spurious results for the estimates of the friction matrix based on molecular dynamics simulations. Starting from a careful analysis of the coupled Langevin equations for two interacting Brownian particles, we derive a method to circumvent these effects and extract the binary friction tenser from the correlation function matrix of the instantaneous forces exerted by the bath particles on the fixed Brownian particles, and from the relaxation of the total momentum of the bath in a finite system. The general methodology is applied to the case of two hard or soft Brownian spheres in a bath of light particles. Numerical estimates of the relevant correlation functions and of the resulting self and mutual components of the matrix of friction tensors are obtained by molecular dynamics simulations for various spacings between the Brownian particles

  10. Uncertainties in surface mass and energy flux estimates due to different eddy covariance sensors and technical set-up

    Science.gov (United States)

    Arriga, Nicola; Fratini, Gerardo; Forgione, Antonio; Tomassucci, Michele; Papale, Dario

    2010-05-01

    Eddy covariance is a well established and widely used methodology for the measurement of turbulent fluxes of mass and energy in the atmospheric boundary layer, in particular to estimate CO2/H2O and heat exchange above ecologically relevant surfaces (Aubinet 2000, Baldocchi 2003). Despite its long term application and theoretical studies, many issues are still open about the effect of different experimental set-up on final flux estimates. Open issues are the evaluation of the performances of different kind of sensors (e.g. open path vs closed path infra-red gas analysers, vertical vs horizontal mounting ultrasonic anemometers), the quantification of the impact of corresponding physical corrections to be applied to get robust flux estimates taking in account all processes concurring to the measurement (e.g. the so-called WPL term, signal attenuation due to air sampling system for closed path analyser, relative position of analyser and anemometer) and the differences between several data transmission protocols used (analogue, digital RS-232, SDM). A field experiment was designed to study these issues using several instruments among those most used within the Fluxnet community and to compare their performances under conditions supposed to be critical: rainy and cold weather conditions for open-path analysers (Burba 2008), water transport and absorption at high air relative humidity conditions for closed-path systems (Ibrom, 2007), frequency sampling limits and recorded data robustness due to different transmission protocols (RS232, SDM, USB, Ethernet) and finally the effect of the displacement between anemometer and analyser using at least two identical analysers placed at different horizontal and vertical distances from the anemometer. Aim of this experiment is to quantify the effect of several technical solutions on the final estimates of fluxes measured at a point in the space and if they represent a significant source of uncertainty for mass and energy cycle

  11. Migration of antioxidants from polylactic acid films: A parameter estimation approach and an overview of the current mass transfer models.

    Science.gov (United States)

    Samsudin, Hayati; Auras, Rafael; Mishra, Dharmendra; Dolan, Kirk; Burgess, Gary; Rubino, Maria; Selke, Susan; Soto-Valdez, Herlinda

    2018-01-01

    Migration studies of chemicals from contact materials have been widely conducted due to their importance in determining the safety and shelf life of a food product in their packages. The US Food and Drug Administration (FDA) and the European Food Safety Authority (EFSA) require this safety assessment for food contact materials. So, migration experiments are theoretically designed and experimentally conducted to obtain data that can be used to assess the kinetics of chemical release. In this work, a parameter estimation approach was used to review and to determine the mass transfer partition and diffusion coefficients governing the migration process of eight antioxidants from poly(lactic acid), PLA, based films into water/ethanol solutions at temperatures between 20 and 50°C. Scaled sensitivity coefficients were calculated to assess simultaneously estimation of a number of mass transfer parameters. An optimal experimental design approach was performed to show the importance of properly designing a migration experiment. Additional parameters also provide better insights on migration of the antioxidants. For example, the partition coefficients could be better estimated using data from the early part of the experiment instead at the end. Experiments could be conducted for shorter periods of time saving time and resources. Diffusion coefficients of the eight antioxidants from PLA films were between 0.2 and 19×10 -14 m 2 /s at ~40°C. The use of parameter estimation approach provided additional and useful insights about the migration of antioxidants from PLA films. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Validating the absolute reliability of a fat free mass estimate equation in hemodialysis patients using near-infrared spectroscopy.

    Science.gov (United States)

    Kono, Kenichi; Nishida, Yusuke; Moriyama, Yoshihumi; Taoka, Masahiro; Sato, Takashi

    2015-06-01

    The assessment of nutritional states using fat free mass (FFM) measured with near-infrared spectroscopy (NIRS) is clinically useful. This measurement should incorporate the patient's post-dialysis weight ("dry weight"), in order to exclude the effects of any change in water mass. We therefore used NIRS to investigate the regression, independent variables, and absolute reliability of FFM in dry weight. The study included 47 outpatients from the hemodialysis unit. Body weight was measured before dialysis, and FFM was measured using NIRS before and after dialysis treatment. Multiple regression analysis was used to estimate the FFM in dry weight as the dependent variable. The measured FFM before dialysis treatment (Mw-FFM), and the difference between measured and dry weight (Mw-Dw) were independent variables. We performed Bland-Altman analysis to detect errors between the statistically estimated FFM and the measured FFM after dialysis treatment. The multiple regression equation to estimate the FFM in dry weight was: Dw-FFM = 0.038 + (0.984 × Mw-FFM) + (-0.571 × [Mw-Dw]); R(2)  = 0.99). There was no systematic bias between the estimated and the measured values of FFM in dry weight. Using NIRS, FFM in dry weight can be calculated by an equation including FFM in measured weight and the difference between the measured weight and the dry weight. © 2015 The Authors. Therapeutic Apheresis and Dialysis © 2015 International Society for Apheresis.

  13. Albumin is synthesized in epididymis and aggregates in a high molecular mass glycoprotein complex involved in sperm-egg fertilization.

    Directory of Open Access Journals (Sweden)

    Kélen Fabíola Arroteia

    Full Text Available The epididymis has an important role in the maturation of sperm for fertilization, but little is known about the epididymal molecules involved in sperm modifications during this process. We have previously described the expression pattern for an antigen in epididymal epithelial cells that reacts with the monoclonal antibody (mAb TRA 54. Immunohistochemical and immunoblotting analyses suggest that the epitope of the epididymal antigen probably involves a sugar moiety that is released into the epididymal lumen in an androgen-dependent manner and subsequently binds to luminal sperm. Using column chromatography, SDS-PAGE with in situ digestion and mass spectrometry, we have identified the protein recognized by mAb TRA 54 in mouse epididymal epithelial cells. The ∼65 kDa protein is part of a high molecular mass complex (∼260 kDa that is also present in the sperm acrosomal vesicle and is completely released after the acrosomal reaction. The amino acid sequence of the protein corresponded to that of albumin. Immunoprecipitates with anti-albumin antibody contained the antigen recognized by mAb TRA 54, indicating that the epididymal molecule recognized by mAb TRA 54 is albumin. RT-PCR detected albumin mRNA in the epididymis and fertilization assays in vitro showed that the glycoprotein complex containing albumin was involved in the ability of sperm to recognize and penetrate the egg zona pellucida. Together, these results indicate that epididymal-derived albumin participates in the formation of a high molecular mass glycoprotein complex that has an important role in egg fertilization.

  14. On the challenge of estimating diphoton backgrounds at large invariant mass

    Energy Technology Data Exchange (ETDEWEB)

    Kamenik, J.F. [Jozef Stefan Institute, Ljubljana (Slovenia); University of Ljubljana, Faculty of Mathematics and Physics, Ljubljana (Slovenia); Perez, G.; Schlaffer, M. [Weizmann Institute of Science, Department of Particle Physics and Astrophysics, Rehovot (Israel); Weiler, A. [Technische Universitaet Muenchen, Physik Department T75, Garching (Germany)

    2017-02-15

    We examine, using the analyses of the 750 GeV diphoton resonance as a case study, the methodology for estimating the dominant backgrounds to diphoton resonance searches. We show that close to the high energy tails of the distributions, where background estimates rely on functional extrapolations or Monte Carlo predictions, large uncertainties are introduced, in particular by the challenging photon-jet background. Analyses with loose photon and low photon p{sub T} cuts and those susceptible to high photon rapidity regions are especially affected. Given that diphoton-based searches beyond 1 TeV are highly motivated as discovery modes, these considerations are relevant for future analyses. We first consider a physics-driven deformation of the photon-jet spectrum by next-to-leading order effects and a phase space dependent fake rate and show that this reduces the local significance of the excess. Using a simple but more general ansatz, we demonstrate that the originally reported local significances of the 750 GeV excess could have been overestimated by more than one standard deviation. We furthermore cross-check our analysis by comparing fit results based on the 2015 and 2016 LHC data sets. Finally we employ our methodology on the available 13 TeV LHC data set assessing the systematics involved in the current diphoton searches beyond the TeV region. (orig.)

  15. Multiple populations within globular clusters in Early-type galaxies Exploring their effect on stellar initial mass function estimates

    Science.gov (United States)

    Chantereau, W.; Usher, C.; Bastian, N.

    2018-05-01

    It is now well-established that most (if not all) ancient globular clusters host multiple populations, that are characterised by distinct chemical features such as helium abundance variations along with N-C and Na-O anti-correlations, at fixed [Fe/H]. These very distinct chemical features are similar to what is found in the centres of the massive early-type galaxies and may influence measurements of the global properties of the galaxies. Additionally, recent results have suggested that M/L variations found in the centres of massive early-type galaxies might be due to a bottom-heavy stellar initial mass function. We present an analysis of the effects of globular cluster-like multiple populations on the integrated properties of early-type galaxies. In particular, we focus on spectral features in the integrated optical spectrum and the global mass-to-light ratio that have been used to infer variations in the stellar initial mass function. To achieve this we develop appropriate stellar population synthesis models and take into account, for the first time, an initial-final mass relation which takes into consideration a varying He abundance. We conclude that while the multiple populations may be present in massive early-type galaxies, they are likely not responsible for the observed variations in the mass-to-light ratio and IMF sensitive line strengths. Finally, we estimate the fraction of stars with multiple populations chemistry that come from disrupted globular clusters within massive ellipticals and find that they may explain some of the observed chemical patterns in the centres of these galaxies.

  16. An evolutionary model for collapsing molecular clouds and their star formation activity. II. Mass dependence of the star formation rate

    Energy Technology Data Exchange (ETDEWEB)

    Zamora-Avilés, Manuel; Vázquez-Semadeni, Enrique [Centro de Radioastronomía y Astrofísica, Universidad Nacional Autónoma de México, Apdo. Postal 3-72, Morelia, Michoacán 58089 (Mexico)

    2014-10-01

    We discuss the evolution and dependence on cloud mass of the star formation rate (SFR) and efficiency (SFE) of star-forming molecular clouds (MCs) within the scenario that clouds are undergoing global collapse and that the SFR is controlled by ionization feedback. We find that low-mass clouds (M {sub max} ≲ 10{sup 4} M {sub ☉}) spend most of their evolution at low SFRs, but end their lives with a mini-burst, reaching a peak SFR ∼10{sup 4} M {sub ☉} Myr{sup –1}, although their time-averaged SFR is only (SFR) ∼ 10{sup 2} M {sub ☉} Myr{sup –1}. The corresponding efficiencies are SFE{sub final} ≲ 60% and (SFE) ≲ 1%. For more massive clouds (M {sub max} ≳ 10{sup 5} M {sub ☉}), the SFR first increases and then reaches a plateau because the clouds are influenced by stellar feedback since earlier in their evolution. As a function of cloud mass, (SFR) and (SFE) are well represented by the fits (SFR) ≈ 100(1 + M {sub max}/1.4 × 10{sup 5} M {sub ☉}){sup 1.68} M {sub ☉} Myr{sup –1} and (SFE) ≈ 0.03(M {sub max}/2.5 × 10{sup 5} M {sub ☉}){sup 0.33}, respectively. Moreover, the SFR of our model clouds follows closely the SFR-dense gas mass relation recently found by Lada et al. during the epoch when their instantaneous SFEs are comparable to those of the clouds considered by those authors. Collectively, a Monte Carlo integration of the model-predicted SFR(M) over a Galactic giant molecular cloud mass spectrum yields values for the total Galactic SFR that are within half an order of magnitude of the relation obtained by Gao and Solomon. Our results support the scenario that star-forming MCs may be in global gravitational collapse and that the low observed values of the SFR and SFE are a result of the interruption of each SF episode, caused primarily by the ionizing feedback from massive stars.

  17. Intact molecular characterization of cord factor (trehalose 6,6'-dimycolate) from nine species of mycobacteria by MALDI-TOF mass spectrometry.

    Science.gov (United States)

    Fujita, Yukiko; Naka, Takashi; McNeil, Michael R; Yano, Ikuya

    2005-10-01

    Cord factor (trehalose 6,6'-dimycolate, TDM) is an unique glycolipid with a trehalose and two molecules of mycolic acids in the mycobacterial cell envelope. Since TDM consists of two molecules of very long branched-chain 3-hydroxy fatty acids, the molecular mass ranges widely and in a complex manner. To characterize the molecular structure of TDM precisely and simply, an attempt was made to determine the mycolic acid subclasses of TDM and the molecular species composition of intact TDM by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry for the first time. The results showed that less than 1 microg mycolic acid methyl ester of TDM from nine representative species of mycobacteria and TDM from the same species was sufficient to obtain well-resolved mass spectra composed of pseudomolecular ions [M+Na]+. Although the mass ion distribution was extremely diverse, the molecular species of each TDM was identified clearly by constructing a molecular ion matrix consisting of the combination of two molecules of mycolic acids. The results showed a marked difference in the molecular structure of TDM among mycobacterial species and subspecies. TDM from Mycobacterium tuberculosis (H37Rv and Aoyama B) showed a distinctive mass pattern and consisted of over 60 molecular ions with alpha-, methoxy- and ketomycolate. TDM from Mycobacterium bovis BCG Tokyo 172 similarly showed over 35 molecular ions, but that from M. bovis BCG Connaught showed simpler molecular ion clusters consisting of less than 35 molecular species due to a complete lack of methoxymycolate. Mass ions due to TDM from M. bovis BCG Connaught and Mycobacterium kansasii showed a biphasic distribution, but the two major peaks of TDM from M. kansasii were shifted up two or three carbon units higher compared with M. bovis BCG Connaught. Within the rapid grower group, in TDM consisting of alpha-, keto- and wax ester mycolate from Mycobacterium phlei and Mycobacterium flavescens, the

  18. Estimating the mass density in the thermosphere with the CYGNSS mission.

    Science.gov (United States)

    Bussy-Virat, C.; Ridley, A. J.

    2017-12-01

    The Cyclone Global Navigation Satellite System (CYGNSS) mission, launched in December 2016, is a constellation of eight satellites orbiting the Earth at 510 km. Its goal is to improve our understanding of rapid hurricane wind intensification. Each CYGNSS satellite uses GPS signals that are reflected off of the ocean's surface to measure the wind. The GPS can also be used to specify the orbit of the satellites quite precisely. The motion of satellites in low Earth orbit are greatly influenced by the neutral density of the surrounding atmosphere through drag. Modeling the neutral density in the upper atmosphere is a major challenge as it involves a comprehensive understanding of the complex coupling between the thermosphere and the ionosphere, the magnetosphere, and the Sun. This is why thermospheric models (such as NRLMSIS, Jacchia-Bowman, HASDM, GITM, or TIEGCM) can only approximate it with a limited accuracy, which decreases during strong geomagnetic events. Because atmospheric drag directly depends on the thermospheric density, it can be estimated applying filtering methods to the trajectories of the CYGNSS observatories. The CYGNSS mission can provide unique results since the constellation of eight satellites enables multiple measurements of the same region at close intervals ( 10 minutes), which can be used to detect short time scale features. Moreover, the CYGNSS spacecraft can be pitched from a low to high drag attitude configuration, which can be used in the filtering methods to improve the accuracy of the atmospheric density estimation. The methodology and the results of this approach applied to the CYGNSS mission will be presented.

  19. An Improved Method for Estimating Water-Mass Ventilation Age from Radiocarbon Measurements

    Science.gov (United States)

    Devries, T. J.; Primeau, F. W.

    2009-12-01

    Paleoceanographic data can help to constrain the state of the past ocean circulation. One critical quantity that can be constrained by paleoceanographic data is the ventilation age, which measures the vigor of the ocean circulation. Paleoceanographers often use radiocarbon data to estimate paleo-ventilation ages by calculating either the benthic-planktonic (B-P) age difference, or the so-called “projection” age. However, recent studies have shown that neither of these calculations yield correct estimates of ventilation age, due to fluctuations in atmospheric radiocarbon content and mixing processes in the ocean. Here we propose a new method for more accurately inferring paleo-ventilation ages based on radiocarbon data. Our method makes use of a model that uses parameterized transfer functions to simulate the effects of circulation and mixing in the ocean. We show how this model can be used in a Bayesian framework to infer a ventilation age from a paired radiocarbon- and calendar-age measurement. The Bayesian framework allows us to quantify the uncertainty in the inferred ventilation age due to uncertainty in the data, as well as uncertainty in the assumptions made in the model itself. We applied this framework to previously published radiocarbon data from the deep North Pacific spanning 10 000 to 20 000 years before present. Ventilation ages inferred using our method are significantly different from the B-P ages or projection ages calculated from the same data. Furthermore, our analysis suggests that the uncertainty of the ventilation ages is on the order of 400-500 years, and that the main sources of uncertainty are uncertainty in the age of surface source waters and in the true calendar age of the radiocarbon data. Our results do not show a clear change in the ventilation age of deep North Pacific waters during the last deglaciation.

  20. Big and slow: phylogenetic estimates of molecular evolution in baleen whales (suborder mysticeti).

    Science.gov (United States)

    Jackson, J A; Baker, C S; Vant, M; Steel, D J; Medrano-González, L; Palumbi, S R

    2009-11-01

    Baleen whales are the largest animals that have ever lived. To develop an improved estimation of substitution rate for nuclear and mitochondrial DNA for this taxon, we implemented a relaxed-clock phylogenetic approach using three fossil calibration dates: the divergence between odontocetes and mysticetes approximately 34 million years ago (Ma), between the balaenids and balaenopterids approximately 28 Ma, and the time to most recent common ancestor within the Balaenopteridae approximately 12 Ma. We examined seven mitochondrial genomes, a large number of mitochondrial control region sequences (219 haplotypes for 465 bp) and nine nuclear introns representing five species of whales, within which multiple species-specific alleles were sequenced to account for within-species diversity (1-15 for each locus). The total data set represents >1.65 Mbp of mitogenome and nuclear genomic sequence. The estimated substitution rate for the humpback whale control region (3.9%/million years, My) was higher than previous estimates for baleen whales but slow relative to other mammal species with similar generation times (e.g., human-chimp mean rate > 20%/My). The mitogenomic third codon position rate was also slow relative to other mammals (mean estimate 1%/My compared with a mammalian average of 9.8%/My for the cytochrome b gene). The mean nuclear genomic substitution rate (0.05%/My) was substantially slower than average synonymous estimates for other mammals (0.21-0.37%/My across a range of studies). The nuclear and mitogenome rate estimates for baleen whales were thus roughly consistent with an 8- to 10-fold slowing due to a combination of large body size and long generation times. Surprisingly, despite the large data set of nuclear intron sequences, there was only weak and conflicting support for alternate hypotheses about the phylogeny of balaenopterid whales, suggesting that interspecies introgressions or a rapid radiation has obscured species relationships in the nuclear genome.

  1. Mass estimates from optical-light curves for binary X-ray sources

    International Nuclear Information System (INIS)

    Avni, Y.

    1978-01-01

    The small amplitude variations with orbital phase of the optical light from X-ray binaries are caused by the changing geometrical aspect of the primary as seen by a fixed observer. The shape and the amplitude of the light curve depends on the stellar masses and on the orbital elements. The light curve can, therefore, be used to determine, or set limits on, the parameters of the binary system. A self-consistent procedure for the calculation of the light curve can be formulated if the primary is formulated if the primary is uniformly rotating at an angular velocity equal to the angular velocity of its orbital revolution in a circular orbit, and if the primary is in a hydrostatic and radiative equilibrium in the co-rotating frame. When the primary is further approximated to be centrally condensed, the above set of assumptions is called the standard picture. The standard picture is described, its validity discussed and its application to various systems reviewed. (C.F.)

  2. Application of large strain analysis for estimation of behavior and stability of rock mass

    International Nuclear Information System (INIS)

    Nakagawa, Mitsuo; Jiang, Yujing; Esaki, Tetsuro.

    1997-01-01

    It is difficult to simulate a large deformation phenomena with plastic flow after failure by using a general numerical approach, such as the FEM (finite element method), based on the infinitesimal strain theory. In order to investigate the behavior of tunnels excavated in soft rock mass, a new simulation technique which can represent large strain accurately is desired, and the code FLAC (Fast Lagragian Analysis of Continua) adopted in this study is being thought a best mean for this propose. In this paper, the basic principles and the application of the large strain analysis method to stability analysis and prediction of the deformational behavior of tunnels in soft rock are presented. First, the features of the large strain theory and some different points from the infinitesimal strain theory are made up. Next, as the examples, the reproduction of uniaxial compression test for soft rock material and the stability analysis of tunnel in soft rock are tried so as to determine the capability of presenting the large deformational behavior. (author)

  3. Radiation dose estimation and mass attenuation coefficients of cement samples used in Turkey

    International Nuclear Information System (INIS)

    Damla, N.; Cevik, U.; Kobya, A.I.; Celik, A.; Celik, N.; Van Grieken, R.

    2010-01-01

    Different cement samples commonly used in building construction in Turkey have been analyzed for natural radioactivity using gamma-ray spectrometry. The mean activity concentrations observed in the cement samples were 52, 40 and 324 Bq kg -1 for 226 Ra, 232 Th and 40 K, respectively. The measured activity concentrations for these radionuclides were compared with the reported data of other countries and world average limits. The radiological hazard parameters such as radium equivalent activities (Ra eq ), gamma index (I γ ) and alpha index (I α ) indices as well as terrestrial absorbed dose and annual effective dose rate were calculated and compared with the international data. The Ra eq values of cement are lower than the limit of 370 Bq kg -1 , equivalent to a gamma dose of 1.5 mSv y -1 . Moreover, the mass attenuation coefficients were determined experimentally and calculated theoretically using XCOM in some cement samples. Also, chemical compositions analyses of the cement samples were investigated.

  4. A novel method for active fissile mass estimation with a pulsed neutron source

    Energy Technology Data Exchange (ETDEWEB)

    Dubi, C., E-mail: chendb331@gmail.com [Physics Department, Nuclear Research Center of the Negev, POB 9001, Beer Sheva (Israel); Ridnik, T.; Israelashvili, I. [Physics Department, Nuclear Research Center of the Negev, POB 9001, Beer Sheva (Israel); Pedersen, B. [Nuclear Security Unit, Institute for Transuranium Elements, Via E. Fermi, 2749 JRC, Ispra (Italy)

    2013-07-01

    Neutron interrogation facilities for mass evaluation of Special Nuclear Materials (SNM) samples are divided into two main categories: passive interrogation, where all neutron detections are due to spontaneous events, and active interrogation, where fissions are induced on the tested material by an external neutron source. While active methods are, in general, faster and more effective, their analysis is much harder to carry out. In the paper, we will introduce a new formalism for analyzing the detection signal generated by a pulsed source active interrogation facility. The analysis is aimed to distinct between fission neutrons from the main neutron source in the system, and the surrounding “neutron noise”. In particular, we derive analytic expressions for the first three central moments of the number of detections in a given time interval, in terms of the different neutron sources. While the method depends on exactly the same physical assumptions as known models, the simplicity of the suggested formalism allows us to take into account the variance of the external neutron source—an effect that was so far neglected.

  5. Radiation dose estimation and mass attenuation coefficients of marble used in Turkey

    International Nuclear Information System (INIS)

    Cevik, U.; Damla, N.; Kobya, A.I.; Celik, A.; Kara, A.

    2010-01-01

    In this study the natural radioactivity in marble samples used in Turkey was measured by means of gamma spectrometry. The results showed that the specific activities of 226 Ra, 232 Th and 40 K ranged from 10 to 92 Bq kg -1 , from 4 to 122 Bq kg -1 and from 28 to 676 Bq kg -1 , respectively. The radiological hazards in marble samples due to the natural radioactivity were inferred from calculations of radium equivalent activities (Ra eq ), indoor absorbed dose rate in air values, the annual effective dose and gamma and alpha indexes. These radiological parameters were evaluated and compared with the internationally recommended values. The measurements showed that marble samples used in Turkey have low level of natural radioactivity; therefore, the use of these types of marble in dwellings is safe for inhabitants. Mass attenuation coefficients (μ/ρ) were obtained both experimentally and theoretically for different marble samples produced in Turkey by using gamma-ray transmission method. Experimental values showed a good agreement with the theoretical values.

  6. A novel method for active fissile mass estimation with a pulsed neutron source

    International Nuclear Information System (INIS)

    Dubi, C.; Ridnik, T.; Israelashvili, I.; Pedersen, B.

    2013-01-01

    Neutron interrogation facilities for mass evaluation of Special Nuclear Materials (SNM) samples are divided into two main categories: passive interrogation, where all neutron detections are due to spontaneous events, and active interrogation, where fissions are induced on the tested material by an external neutron source. While active methods are, in general, faster and more effective, their analysis is much harder to carry out. In the paper, we will introduce a new formalism for analyzing the detection signal generated by a pulsed source active interrogation facility. The analysis is aimed to distinct between fission neutrons from the main neutron source in the system, and the surrounding “neutron noise”. In particular, we derive analytic expressions for the first three central moments of the number of detections in a given time interval, in terms of the different neutron sources. While the method depends on exactly the same physical assumptions as known models, the simplicity of the suggested formalism allows us to take into account the variance of the external neutron source—an effect that was so far neglected

  7. Characterization of methane oxidation in a simulated landfill cover system by comparing molecular and stable isotope mass balances.

    Science.gov (United States)

    Schulte, Marcel; Jochmann, Maik A; Gehrke, Tobias; Thom, Andrea; Ricken, Tim; Denecke, Martin; Schmidt, Torsten C

    2017-11-01

    Biological methane oxidation may be regarded as a method of aftercare treatment for landfills to reduce climate relevant methane emissions. It is of social and economic interest to estimate the behavior of bacterial methane oxidation in aged landfill covers due to an adequate long-term treatment of the gas emissions. Different approaches assessing methane oxidation in laboratory column studies have been investigated by other authors recently. However, this work represents the first study in which three independent approaches, ((i) mass balance, (ii) stable isotope analysis, and (iii) stoichiometric balance of product (CO 2 ) and reactant (CH 4 ) by CO 2 /CH 4 -ratio) have been compared for the estimation of the biodegradation by a robust statistical validation on a rectangular, wide soil column. Additionally, an evaluation by thermal imaging as a potential technique for the localization of the active zone of bacterial methane oxidation has been addressed in connection with stable isotope analysis and CO 2 /CH 4 -ratios. Although landfills can be considered as open systems the results for stable isotope analysis based on a closed system correlated better with the mass balance than calculations based on an open system. CO 2 /CH 4 -ratios were also in good agreement with mass balance. In general, highest values for biodegradation were determined from mass balance, followed by CO 2 /CH 4 -ratio, and stable isotope analysis. The investigated topsoil proved to be very suitable as a potential cover layer by removing up to 99% of methane for CH 4 loads of 35-65gm -2 d -1 that are typical in the aftercare phase of landfills. Finally, data from stable isotope analysis and the CO 2 /CH 4 -ratios were used to trace microbial activity within the reactor system. It was shown that methane consumption and temperature increase, as a cause of high microbial activity, correlated very well. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Mass Spectrometry-Based Proteomics in Molecular Diagnostics: Discovery of Cancer Biomarkers Using Tissue Culture

    Science.gov (United States)

    Paul, Debasish; Kumar, Avinash; Gajbhiye, Akshada; Santra, Manas K.; Srikanth, Rapole

    2013-01-01

    Accurate diagnosis and proper monitoring of cancer patients remain a key obstacle for successful cancer treatment and prevention. Therein comes the need for biomarker discovery, which is crucial to the current oncological and other clinical practices having the potential to impact the diagnosis and prognosis. In fact, most of the biomarkers have been discovered utilizing the proteomics-based approaches. Although high-throughput mass spectrometry-based proteomic approaches like SILAC, 2D-DIGE, and iTRAQ are filling up the pitfalls of the conventional techniques, still serum proteomics importunately poses hurdle in overcoming a wide range of protein concentrations, and also the availability of patient tissue samples is a limitation for the biomarker discovery. Thus, researchers have looked for alternatives, and profiling of candidate biomarkers through tissue culture of tumor cell lines comes up as a promising option. It is a rich source of tumor cell-derived proteins, thereby, representing a wide array of potential biomarkers. Interestingly, most of the clinical biomarkers in use today (CA 125, CA 15.3, CA 19.9, and PSA) were discovered through tissue culture-based system and tissue extracts. This paper tries to emphasize the tissue culture-based discovery of candidate biomarkers through various mass spectrometry-based proteomic approaches. PMID:23586059

  9. observations of hot molecular gas emission from embedded low-mass protostars

    DEFF Research Database (Denmark)

    Visser, R.; Kristensen, L. E.; Bruderer, S.

    2012-01-01

    Aims. Young stars interact vigorously with their surroundings, as evident from the highly rotationally excited CO (up to Eu/k = 4000 K) and H2O emission (up to 600 K) detected by the Herschel Space Observatory in embedded low-mass protostars. Our aim is to construct a model that reproduces...... the observations quantitatively, to investigate the origin of the emission, and to use the lines as probes of the various heating mechanisms. Methods. The model consists of a spherical envelope with a power-law density structure and a bipolar outflow cavity. Three heating mechanisms are considered: passive heating...... such as luminosity and envelope mass. Results. The bulk of the gas in the envelope, heated by the protostellar luminosity, accounts for 3–10% of the CO luminosity summed over all rotational lines up to J = 40–39; it is best probed by low-J CO isotopologue lines such as C18O 2–1 and 3–2. The UV-heated gas and the C...

  10. Mass Spectrometry-Based Proteomics in Molecular Diagnostics: Discovery of Cancer Biomarkers Using Tissue Culture

    Directory of Open Access Journals (Sweden)

    Debasish Paul

    2013-01-01

    Full Text Available Accurate diagnosis and proper monitoring of cancer patients remain a key obstacle for successful cancer treatment and prevention. Therein comes the need for biomarker discovery, which is crucial to the current oncological and other clinical practices having the potential to impact the diagnosis and prognosis. In fact, most of the biomarkers have been discovered utilizing the proteomics-based approaches. Although high-throughput mass spectrometry-based proteomic approaches like SILAC, 2D-DIGE, and iTRAQ are filling up the pitfalls of the conventional techniques, still serum proteomics importunately poses hurdle in overcoming a wide range of protein concentrations, and also the availability of patient tissue samples is a limitation for the biomarker discovery. Thus, researchers have looked for alternatives, and profiling of candidate biomarkers through tissue culture of tumor cell lines comes up as a promising option. It is a rich source of tumor cell-derived proteins, thereby, representing a wide array of potential biomarkers. Interestingly, most of the clinical biomarkers in use today (CA 125, CA 15.3, CA 19.9, and PSA were discovered through tissue culture-based system and tissue extracts. This paper tries to emphasize the tissue culture-based discovery of candidate biomarkers through various mass spectrometry-based proteomic approaches.

  11. Surface properties of heat-induced soluble soy protein aggregates of different molecular masses.

    Science.gov (United States)

    Guo, Fengxian; Xiong, Youling L; Qin, Fang; Jian, Huajun; Huang, Xiaolin; Chen, Jie

    2015-02-01

    Suspensions (2% and 5%, w/v) of soy protein isolate (SPI) were heated at 80, 90, or 100 °C for different time periods to produce soluble aggregates of different molecular sizes to investigate the relationship between particle size and surface properties (emulsions and foams). Soluble aggregates generated in these model systems were characterized by gel permeation chromatography and sodium dodecyl sulfate-polyacrylamide gel electrophoresis. Heat treatment increased surface hydrophobicity, induced SPI aggregation via hydrophobic interaction and disulfide bonds, and formed soluble aggregates of different sizes. Heating of 5% SPI always promoted large-size aggregate (LA; >1000 kDa) formation irrespective of temperature, whereas the aggregate size distribution in 2% SPI was temperature dependent: the LA fraction progressively rose with temperature (80→90→100 °C), corresponding to the attenuation of medium-size aggregates (MA; 670 to 1000 kDa) initially abundant at 80 °C. Heated SPI with abundant LA (>50%) promoted foam stability. LA also exhibited excellent emulsifying activity and stabilized emulsions by promoting the formation of small oil droplets covered with a thick interfacial protein layer. However, despite a similar influence on emulsion stability, MA enhanced foaming capacity but were less capable of stabilizing emulsions than LA. The functionality variation between heated SPI samples is clearly related to the distribution of aggregates that differ in molecular size and surface activity. The findings may encourage further research to develop functional SPI aggregates for various commercial applications. © 2015 Institute of Food Technologists®

  12. Estimating the ice thickness of mountain glaciers with an inverse approach using surface topography and mass-balance

    International Nuclear Information System (INIS)

    Michel, Laurent; Picasso, Marco; Farinotti, Daniel; Bauder, Andreas; Funk, Martin; Blatter, Heinz

    2013-01-01

    We present a numerical method to estimate the ice thickness distribution within a two-dimensional, non-sliding mountain glacier, given a transient surface geometry and a mass-balance distribution, which are relatively easy to obtain for a large number of glaciers. The inverse approach is based on the shallow ice approximation (SIA) of ice flow and requires neither filtering of the surface topography with a lower slope limit nor approximation of constant basal shear stress. We first address this problem for a steady-state surface geometry. Next, we use an apparent surface mass-balance description that makes the transient evolution quasi-stationary. Then, we employ a more elaborated fixed-point method in which the bedrock solution is iteratively obtained by adding the difference between the computed and known surface geometries at the end of the considered time interval. In a sensitivity study, we show that the procedure is much more susceptible to small perturbations in surface geometry than mass-balance. Finally, we present preliminary results for bed elevations in three space dimensions. (paper)

  13. Kinetic parametric estimation in animal PET molecular imaging based on artificial immune network

    International Nuclear Information System (INIS)

    Chen Yuting; Ding Hong; Lu Rui; Huang Hongbo; Liu Li

    2011-01-01

    Objective: To develop an accurate,reliable method without the need of initialization in animal PET modeling for estimation of the tracer kinetic parameters based on the artificial immune network. Methods: The hepatic and left ventricular time activity curves (TACs) were obtained by drawing ROIs of liver tissue and left ventricle on dynamic 18 F-FDG PET imaging of small mice. Meanwhile, the blood TAC was analyzed by sampling the tail vein blood at different time points after injection. The artificial immune network for parametric optimization of pharmacokinetics (PKAIN) was adapted to estimate the model parameters and the metabolic rate of glucose (K i ) was calculated. Results: TACs of liver,left ventricle and tail vein blood were obtained.Based on the artificial immune network, K i in 3 mice was estimated as 0.0024, 0.0417 and 0.0047, respectively. The average weighted residual sum of squares of the output model generated by PKAIN was less than 0.0745 with a maximum standard deviation of 0.0084, which indicated that the proposed PKAIN method can provide accurate and reliable parametric estimation. Conclusion: The PKAIN method could provide accurate and reliable tracer kinetic modeling in animal PET imaging without the need of initialization of model parameters. (authors)

  14. Towards Molecular Characterization of Mineral-Organic Matter Interface Using In Situ Liquid Secondary Ion Mass Spectrometry

    Science.gov (United States)

    Zhu, Z.; Yu, X. Y.

    2017-12-01

    Organo-Mineral-Microbe interactions in terrestrial ecosystems are of great interest. Quite a few models have been developed through extensive efforts in this field. However, predictions from current models are far from being accurate, and many debates still exist. One of the major reasons is that most experimental data generated from bulk analysis, and the information of molecular dynamics occurring at mineral-organic matter interface is rare. Such information has been difficult to obtain, due to lack of suitable in situ analysis tools. Recently, we have developed in situ liquid secondary ion mass spectrometry (SIMS) at Pacific Northwest National Laboratory1, and it has shown promise to provide both elemental and molecular information at vacuum-liquid and solid-liquid interfaces.2 In this presentation, we demonstrate that in situ liquid SIMS can provide cr