Sample records for derived interaction parameters

  1. Calorimetrically-derived parameters for protein interactions with urea and guanidine-HCl are not consistent with denaturant m values

    Microsoft Academic Search

    Gregory T. DeKoster; Andrew D. Robertson

    1997-01-01

    A recent study used calorimetric data and a stoichiometric binding model to derive binding constants, enthalpies, and stoichiometries describing the interaction between proteins and the chemical denaturants, urea and guanidine-HCl (Makhatadze and Privalov, J. Mol. Biol., 226 (1992) 491). In the present study, these parameters have been used to calculate the excess free energy, ?Gex, associated with interactions between chemical

  2. Measurement of the binding parameters of annexin derivatives-erythrocyte membrane interactions

    PubMed Central

    Yen, Tzu-Chen; Wey, Shiaw-Pyng; Liao, Chang-Hui; Yeh, Chi-Hsiao; Shen, Duan-Wen; Achilefu, Samuel; Wun, Tze-Chein

    2010-01-01

    Erythrocyte ghosts prepared from fresh blood expressed phosphatidylserine (PS) on the membrane surfaces in a rather stable fashion. The binding of fluorescein-5-isothiocyanate (FITC)-labeled Annexin V (ANV) derivatives to these membranes were studied by titration with proteins and with calcium. Whereas pre-addition of EDTA to reaction mixtures totally prevented membrane binding, Ca++-dependent binding was only partially reversed by EDTA treatment, consistent with an initial Ca++ dependent binding which became partially Ca++ independent. Data derived from saturation titration with ANV derivatives poorly fit simple protein-membrane equilibrium binding equation and showed negative cooperativity of binding with increasing membrane occupancy. In contrast, calcium titration at low binding site occupancy resulted in excellent fit into protein-Ca++-membrane equilibrium binding equation. Calcium titrations of FITC-labeled ANV and ANV-6L15 (a novel ANV-Kunitz protease inhibitor fusion protein) yielded Hill coefficient of approximately 4 in both cases. The apparent dissociation constant for ANV-6L15 was about 4-fold lower than that of ANV at 1.2–2.5 mM Ca++. We propose that ANV-6L15 may provide improved detection of PS exposed on the membrane surfaces of pathological cells in vitro and in vivo. PMID:20599633

  3. SimSphere model sensitivity analysis towards establishing its use for deriving key parameters characterising land surface interactions

    NASA Astrophysics Data System (ADS)

    Petropoulos, G. P.; Griffiths, H. M.; Carlson, T. N.; Ioannou-Katidis, P.; Holt, T.

    2014-09-01

    Being able to accurately estimate parameters characterising land surface interactions is currently a key scientific priority due to their central role in the Earth's global energy and water cycle. To this end, some approaches have been based on utilising the synergies between land surface models and Earth observation (EO) data to retrieve relevant parameters. One such model is SimSphere, the use of which is currently expanding, either as a stand-alone application or synergistically with EO data. The present study aimed at exploring the effect of changing the atmospheric sounding profile on the sensitivity of key variables predicted by this model assuming different probability distribution functions (PDFs) for its inputs/outputs. To satisfy this objective and to ensure consistency and comparability to analogous studies conducted previously on the model, a sophisticated, cutting-edge sensitivity analysis (SA) method adopting Bayesian theory was implemented on SimSphere. Our results did not show dramatic changes in the nature or ranking of influential model inputs in comparison to previous studies. Model outputs examined using SA were sensitive to a small number of the inputs; a significant amount of first-order interactions between the inputs was also found, suggesting strong model coherence. Results showed that the assumption of different PDFs for the model inputs/outputs did not have an important bearing on mapping the most responsive model inputs and interactions, but only the absolute SA measures. This study extends our understanding of SimSphere's structure and further establishes its coherence and correspondence to that of a natural system's behaviour. Consequently, the present work represents a significant step forward in the global efforts on SimSphere verification, especially those focusing on the development of global operational products from the model synergy with EO data.

  4. Perturbative unitarity of Higgs derivative interactions

    E-print Network

    Yohei Kikuta; Yasuhiro Yamamoto

    2014-10-12

    We study the perturbative unitarity bound given by dimension six derivative interactions consisting of Higgs doublets. These operators emerge from kinetic terms of composite Higgs models or integrating out heavy particles that interact with Higgs doublets. They lead to new phenomena beyond the Standard Model. One of characteristic contributions by derivative interactions appear in vector boson scattering processes. Longitudinal modes of massive vector bosons can be regarded as Nambu Goldstone bosons eaten by each vector field with the equivalence theorem. Since their effects become larger and larger as the collision energy of vector bosons increases, vector boson scattering processes become important in a high energy region around the TeV scale. On the other hand, in such a high energy region, we have to take the unitarity of amplitudes into account. We have obtained the unitarity condition in terms of the parameter included in the effective Lagrangian for one Higgs doublet models. Applying it to some of models, we have found that contributions of derivative interactions are not so large enough to clearly discriminate them from the Standard Model ones. We also study it in two Higgs doublet models. Because they are too complex to obtain the bound in the general effective Lagrangian, we have calculated it in explicit models. These analyses tell us highly model dependence of the perturbative unitarity bounds.

  5. Measurement of the binding parameters of annexin derivativeerythrocyte membrane interactions

    E-print Network

    Larson-Prior, Linda

    Measurement of the binding parameters of annexin derivative­erythrocyte membrane interactions Tzu Keywords: Annexin V Phosphatidylserine Erythrocyte Fluorescein-5-isothiocyanate a b s t r a c t Erythrocyte

  6. DERIVATION OF SOME PARAMETERS OF MYOELECTRIC SIGNALS

    E-print Network

    De Luca, Carlo J.

    the output and the state of the contracting skeletal muscle. Some of these parameters are: (a) the mean force of an isometric muscle contraction. The calculated parameters are com- pared relationships between some ofthe above mentioned parameters and the output or state of a contracting skeletal

  7. Application of Statistically Derived CPAS Parachute Parameters

    NASA Technical Reports Server (NTRS)

    Romero, Leah M.; Ray, Eric S.

    2013-01-01

    The Capsule Parachute Assembly System (CPAS) Analysis Team is responsible for determining parachute inflation parameters and dispersions that are ultimately used in verifying system requirements. A model memo is internally released semi-annually documenting parachute inflation and other key parameters reconstructed from flight test data. Dispersion probability distributions published in previous versions of the model memo were uniform because insufficient data were available for determination of statistical based distributions. Uniform distributions do not accurately represent the expected distributions since extreme parameter values are just as likely to occur as the nominal value. CPAS has taken incremental steps to move away from uniform distributions. Model Memo version 9 (MMv9) made the first use of non-uniform dispersions, but only for the reefing cutter timing, for which a large number of sample was available. In order to maximize the utility of the available flight test data, clusters of parachutes were reconstructed individually starting with Model Memo version 10. This allowed for statistical assessment for steady-state drag area (CDS) and parachute inflation parameters such as the canopy fill distance (n), profile shape exponent (expopen), over-inflation factor (C(sub k)), and ramp-down time (t(sub k)) distributions. Built-in MATLAB distributions were applied to the histograms, and parameters such as scale (sigma) and location (mu) were output. Engineering judgment was used to determine the "best fit" distribution based on the test data. Results include normal, log normal, and uniform (where available data remains insufficient) fits of nominal and failure (loss of parachute and skipped stage) cases for all CPAS parachutes. This paper discusses the uniform methodology that was previously used, the process and result of the statistical assessment, how the dispersions were incorporated into Monte Carlo analyses, and the application of the distributions in trajectory benchmark testing assessments with parachute inflation parameters, drag area, and reefing cutter timing used by CPAS.

  8. Instantaneous phase and frequency derived without user-defined parameters

    NASA Astrophysics Data System (ADS)

    Poggiagliolmi, E.; Vesnaver, A.

    2014-12-01

    We define an algorithm in the time domain for computing the unwrapped instantaneous phase and its derivative, the instantaneous frequency, using only derivatives and integrals. It does not require user-defined parameters, like most algorithms proposed so far. We validate and compare its performance with respect to open-source and commercial software by synthetic and real data examples.

  9. CONFIGURATION INTERACTION ENERGY DERIVATIVES Jack Simons

    E-print Network

    Simons, Jack

    CONFIGURATION INTERACTION ENERGY DERIVATIVES Jack Simons Chemistry Department University of Utah. Simons (eds.), Geometrica/ De,ivatives of Energy Surfaces and Mo/ecu/ar Properties, 27-34. ~ 1986 by D. Reide/ Pub/ishing Cor.wany. #12;28 J. SIMONS be taken to obey the generalized Brillouin theorem2 (GBT

  10. A Novel Method to Derive Contact Energy Parameters from Large Databases Obtained by Threading

    E-print Network

    Domany, Eytan

    of such a solution are the exact definition of contact and the value of the critical distance Rc , below which two structure. In such representations amino acids are represented by one or few interacting centers, from whose methods to to derive energy parameters. The first method is to relate them to observed amino acid pairing

  11. Photon Interaction Parameters for Some Borate Glasses

    SciTech Connect

    Mann, Nisha [Department of Applied Sciences, Samalkha Group of Institutions, Samalkha-132 101, Haryana (India); Kaur, Updesh; Singh, Tejbir; Sharma, J. K. [Department of Physics, Maharishi Markandeshwar University, Mullana-133 207, Haryana (India); Singh, Parjit S. [Department of Physics, Punjabi University, Patiala-147 002, Punjab (India)

    2010-11-06

    Some photon interaction parameters of dosimetric interest such as mass attenuation coefficients, effective atomic number, electron density and KERMA relative to air have been computed in the wide energy range from 1 keV to 100 GeV for some borate glasses viz. barium-lead borate, bismuth-borate, calcium-strontium borate, lead borate and zinc-borate glass. It has been observed that lead borate glass and barium-lead borate glass have maximum values of mass attenuation coefficient, effective atomic number and KERMA relative to air. Hence, these borate glasses are suitable as gamma ray shielding material, packing of radioactive sources etc.

  12. Photon Interaction Parameters for Some Borate Glasses

    NASA Astrophysics Data System (ADS)

    Mann, Nisha; Kaur, Updesh; Singh, Tejbir; Sharma, J. K.; Singh, Parjit S.

    2010-11-01

    Some photon interaction parameters of dosimetric interest such as mass attenuation coefficients, effective atomic number, electron density and KERMA relative to air have been computed in the wide energy range from 1 keV to 100 GeV for some borate glasses viz. barium-lead borate, bismuth-borate, calcium-strontium borate, lead borate and zinc-borate glass. It has been observed that lead borate glass and barium-lead borate glass have maximum values of mass attenuation coefficient, effective atomic number and KERMA relative to air. Hence, these borate glasses are suitable as gamma ray shielding material, packing of radioactive sources etc.

  13. Comparison of ionospheric peak parameters derived from different modeling approaches

    NASA Astrophysics Data System (ADS)

    Mahdi Alizadeh, M.; Schuh, Harald

    2014-05-01

    Due to the fact that Ionosphere is a dispersive medium, microwave signals travelling through this medium are affected proportional to their frequencies. This effect allows gaining information about the parameters of the ionosphere in terms of Total Electron Content (TEC) or the electron density. There are different approaches for modeling these parameters. Some models are based on physical properties such as the Global Assimilative Ionospheric Model (GAIM). Some are empirical models, e.g. the International Reference Ionosphere (IRI), the NeQuick model, or the Neustrelitz TEC Model (NTCM). Finally some models are based on purely mathematical/statistical approaches. In the mathematical models, the corresponding model parameters are calculated using measurements from different space geodetic techniques or the ionosonde data. This study investigates different approaches for computing the electron density along the ray path. First the mathematical approach developed at Technical University of Berlin (TUB) for global 3D reconstruction of the ionospheric F2-peak parameters is presented. In this approach, the F2-peak parameters, i.e. the maximum electron density and its corresponding height are represented as a function of geographic or geomagnetic longitude, latitude, and height with two sets of spherical harmonic expansions of degree and order 15, which correspond to a spatial resolution of 5° in longitude and 2.5° in latitude. To assess this modeling approach, the estimated F2-peak parameters are compared with the peak parameters derived from several other modeling approaches.

  14. Deriving sea-state parameters using RISAT-1 SAR data

    NASA Astrophysics Data System (ADS)

    Ganguly, Debojyoti; Mishra, Manoj K.; Chauhan, Prakash

    2015-01-01

    A technique has been demonstrated for deriving various sea-wave parameters such as peak wavelength, peak direction, and significant wave height from two-dimensional synthetic aperture radar (SAR) data acquired by Indian active microwave remote-sensing satellite RISAT-1 (Radar Imaging Satellite 1). The significant wave height is obtained using the method of azimuth cutoff wavelength, which is the minimum wavelength that can be imaged in the azimuth direction and results due to the roll-off of the SAR image spectra at higher wave numbers. In the present paper, RISAT-1 SAR fine-resolution scan mode intensity image data are used for deriving various wave parameters at a high spatial resolution of 300 m. The changes in wavelength, wave height, and wave direction of sea waves are studied for a coastal wave system using high-resolution sea-wave spectral information. The SAR-derived coastal wave parameters are then compared with JASON-2 altimeter Geophysical Data Record (GDR) products and The European Center for Medium-Range Weather Forecasts (ECMWF)-modeled values, and are found to be in reasonable agreement.

  15. The Reliability of Earthquake Source Parameters Derived from SAR Interferometry

    NASA Astrophysics Data System (ADS)

    Wright, T. J.; Fielding, E. J.; Parsons, B. E.

    2001-12-01

    Since the coseismic interferogram of the 1992, Landers earthquake, SAR Interferometry (InSAR) has been used to map the surface deformation due to many earthquakes. InSAR data have two distinct advantages over other coseismic geodetic data: they are spatially continuous, with spatial resolution of better than 100~m, and they do not require field campaigns to collect. A variety of inversion techniques have been applied to these data in order to extract earthquake source parameters, including fault geometry and slip distributions. Here we address the question of reliability of earthquake source parameters derived from InSAR, particularly where only a single interferogram is available. Coseismic interferograms for 3 Turkish earthquakes are analysed: Dinar (M ~6.4 1995), D{\\" u}zce (M ~7.1 1999) and Orta-{Çankiri (M ~6.1 2000). In each case, only a single interferogram is used and, except for the D{\\" u}zce earthquake, these data are the only geodetic data available. Source parameters are determined using a downhill simplex inversion technique. Errors in fault parameters are investigated using a Monte-Carlo bootstrap approach, in which best-fit solutions to 100 perturbed input datasets are found. The analysis of errors reveals surprisingly large uncertainties in some fault parameters. For the Dinar and D{\\" u}zce earthquakes, magnitude of slip on the fault plane and fault rake trade off against each other such that neither is well determined. This results in a significant uncertainty in seismic moment (up to 50%) unless additional constraints are used. Similarly, for the Orta-{Çankiri earthquake, fault slip trades off against the depth extent of faulting, although seismic moment is well determined in this case. These uncertainties largely arise because InSAR only samples a single component of the displacement vector. We advocate the use of additional data, where available, to further constrain the earthquake source parameters. We show that the use of ascending and descending interferograms together, a few well-place GPS displacement measurements or seismic data can greatly improve the reliability of source parameters. Without these data, solutions based on a single interferogram should be treated with caution.

  16. Derivation of the surface delta interaction

    Microsoft Academic Search

    Steven A. Moszkowski

    1979-01-01

    The forward scattering amplitude of the effective interaction between valence nucleons seems to be essentially momentum independent and small in nuclear matter. From this we can conclude that the effective interaction is close to a surface peaked data interaction. We show that the latter interaction has average particle-particle and particle-hole matrix elements, for low angular momentum, close to those of

  17. A Framework for Interactive Parameter Sweep Applications

    Microsoft Academic Search

    Adianto Wibisono; Zhiming Zhao; Adam Belloum; Marian Bubak

    2008-01-01

    Summary form only given. A typical parameter sweep application (PSA) is a parameterized application which has to be executed independently large number of times, to locate a particular point in the parameter space that satisfies certain criteria. From the perspective of domain scientists, the complexity of underlying grid environment should be hidden so that domain scientists can focus on their

  18. Derivation of Delaware Bay tidal parameters from space shuttle photography

    SciTech Connect

    Zheng, Quanan; Yan, Xiaohai; Klemas, V. (Univ. of Delaware, Newark (United States))

    1993-06-01

    The tide-related parameters of the Delaware Bay are derived from space shuttle time-series photographs. The water areas in the bay are measured from interpretation maps of the photographs with a CALCOMP 9100 digitizer and ERDAS Image Processing System. The corresponding tidal levels are calculated using the exposure time annotated on the photographs. From these data, an approximate function relating the water area to the tidal level at a reference point is determined. Based on the function, the water areas of the Delaware Bay at mean high water (MHW) and mean low water (MLW), below 0 m, and for the tidal zone are inferred. With MHW and MLW areas and the mean tidal range, the authors calculate the tidal influx of the Delaware Bay, which is 2.76 x 1O[sup 9] m[sup 3]. Furthermore, the velocity of flood tide at the bay mouth is determined using the tidal flux and an integral of the velocity distribution function at the cross section between Cape Henlopen and Cape May. The result is 132 cm/s, which compares well with the data on tidal current charts.

  19. SPATIAL STRUCTURE, SPATIAL INTERACTION, AND DISTANCE-DECAY PARAMETERS

    Microsoft Academic Search

    ALEXANDER STEWART FOTHERINGHAM

    1980-01-01

    One result of calibrating a spatial interaction model using interaction data specific to an origin i is to produce an estimate of the distance-decay parameter specific to that origin ((beta)(,i)). A correct interpretation of (beta)(,i) is important since it is frequently used as a descriptive statistic of the spatial system under investigation and as a parameter for predicting unknown interactions.^

  20. Effect of plasma surface interactions on PLT plasma parameters

    SciTech Connect

    Meservey, E.B.; Arunasalam, V.; Barnes, C.

    1980-07-01

    This paper gives a brief description of the geometry and parameters of the PLT tokamak, reviews some of the last four years' results that are particularly relevant to plasma-boundary interactions, and then concentrates on two specific problems.

  1. Validating a large geophysical data set: Experiences with satellite-derived cloud parameters

    NASA Technical Reports Server (NTRS)

    Kahn, Ralph; Haskins, Robert D.; Knighton, James E.; Pursch, Andrew; Granger-Gallegos, Stephanie

    1992-01-01

    We are validating the global cloud parameters derived from the satellite-borne HIRS2 and MSU atmospheric sounding instrument measurements, and are using the analysis of these data as one prototype for studying large geophysical data sets in general. The HIRS2/MSU data set contains a total of 40 physical parameters, filling 25 MB/day; raw HIRS2/MSU data are available for a period exceeding 10 years. Validation involves developing a quantitative sense for the physical meaning of the derived parameters over the range of environmental conditions sampled. This is accomplished by comparing the spatial and temporal distributions of the derived quantities with similar measurements made using other techniques, and with model results. The data handling needed for this work is possible only with the help of a suite of interactive graphical and numerical analysis tools. Level 3 (gridded) data is the common form in which large data sets of this type are distributed for scientific analysis. We find that Level 3 data is inadequate for the data comparisons required for validation. Level 2 data (individual measurements in geophysical units) is needed. A sampling problem arises when individual measurements, which are not uniformly distributed in space or time, are used for the comparisons. Standard 'interpolation' methods involve fitting the measurements for each data set to surfaces, which are then compared. We are experimenting with formal criteria for selecting geographical regions, based upon the spatial frequency and variability of measurements, that allow us to quantify the uncertainty due to sampling. As part of this project, we are also dealing with ways to keep track of constraints placed on the output by assumptions made in the computer code. The need to work with Level 2 data introduces a number of other data handling issues, such as accessing data files across machine types, meeting large data storage requirements, accessing other validated data sets, processing speed and throughput for interactive graphical work, and problems relating to graphical interfaces.

  2. Interactions of Isophorone Derivatives with DNA: Spectroscopic Studies

    PubMed Central

    Deiana, Marco; Matczyszyn, Katarzyna; Massin, Julien; Olesiak-Banska, Joanna; Andraud, Chantal; Samoc, Marek

    2015-01-01

    Interactions of three new isophorone derivatives, Isoa Isob and Isoc with salmon testes DNA have been investigated using UV-Vis, fluorescence and circular dichroism spectroscopic methods. All the studied compounds interact with DNA through intercalative binding mode. The stoichiometry of the isophorone/DNA adducts was found to be 1:1. The fluorescence quenching data revealed a binding interaction with the base pairs of DNA. The CD data indicate that all the investigated isophorones induce DNA modifications. PMID:26069963

  3. Great Plains ASPEN Model Development: binary interaction parameters and activity coefficient parameters. Final report

    Microsoft Academic Search

    S. S. Stern; M. C. Millman; J. J. Kirman; D. Nwogu

    1984-01-01

    The simulation of the various sections of the Great Plains Coal Gasification Plant involves modelling vapor-liquid equilibria and liquid-liquid equilibria that are highly nonideal. The Peng-Robinson equation of state, modified for water, was used in the simulation of most of the process sections. Interaction parameters established by regression of literature data, using ASPEN's DRS system, along with interaction parameter values

  4. Parameter identification for planetary soil based on a decoupled analytical wheel-soil interaction terramechanics model

    Microsoft Academic Search

    Liang Ding; Kazuya Yoshida; Keiji Nagatani; Haibo Gao; Zongquan Deng

    2009-01-01

    Identifying planetary soil parameters is not only an important scientific goal, but also necessary for exploration rover to optimize its control strategy and realize high-fidelity simulation. An improved wheel-soil interaction mechanics model is introduced, and it is then simplified by linearizing the normal stress and shearing stress to derive closed-form analytical equations. Eight unknown soil parameters are divided into three

  5. Quality assessment parameters for EST-derived SNPs from catfish

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two factors were found to be most significant for validation of EST-derived SNPs: the contig size and the minor allele sequence frequency. The larger the contigs were, the greater the validation rate although the validation rate was reasonably high when the contig sizes were equal to or larger than...

  6. Density functional theory studies of Pb (II) interaction with chitosan and its derivatives.

    PubMed

    Hassan, Basila; Muraleedharan, K; Abdul Mujeeb, V M

    2015-03-01

    Density functional theory (DFT) studies of Pb (II) ions interaction with biopolymer chitosan and its derivatives are presented. Schiff bases and N-alkylated/arylated derivatives of chitosan were characterized as adsorbents of lead ions and are studied at monomer level. Natural bond orbital (NBO) analysis was carried out for chitosan and derivatives to understand the donor-acceptor interactions. Molecular electrostatic potential (MEP) maps of the adsorbents were plotted with color code. Global reactivity parameters of adsorbents were calculated on the basis of frontier molecular orbital (FMO) energies. Structure of complexes formed between chitosan and derivatives with Pb (II) ion were examined at B3LYP/LanL2DZ level of DFT. The stability of the complexes are discussed based on the values of Eads. We observed that the N-reduced pyridine carboxaldehyde derivative of chitosan (RPC) forms more stable complex with Pb (II) ions than with other derivatves. PMID:25583020

  7. PHOTOGRAMMETRY-DERIVED NAVIGATION PARAMETERS FOR INS KALMAN FILTER UPDATES

    Microsoft Academic Search

    F. A. Bayoud; J. Skaloud; B. Merminod

    In this paper, a GPS-independent mobile navigation and mapping system is introduced. This system employs the photogrammetric intersection to determine the coordinates of the surrounding objects and then it uses these newly known objects to compute its own position, when it moves, by the photogrammetric resection. The photogrammetric resection output - the exterior orientation parameters - is then used as

  8. Do coinage metal anions interact with substituted benzene derivatives?

    PubMed

    Aliakbar Tehrani, Zahra; Jamshidi, Zahra; Farhangian, Hossein

    2013-11-01

    The nature of the anion-? interaction has been investigated by carrying out ab initio calculations of the complexes of coinage metal anions (Au(-), Ag(-), and Cu(-)) with different kinds of ?-systems. The binding energies indicate that gold anion has the highest and copper anion has the lowest affinity for interactions with ?-systems. Different aspects of the anion-? interaction in these systems have been investigated, including charge-transfer effects (using the Merz-Kollman method), "atoms-in-molecules" (AIM) topological parameters, and interaction energies (using energy decomposition analysis, EDA). Our results indicated that, for most M(-)···? interactions, the electrostatic term provides the dominant contribution, whereas polarization, charge transfer, and dispersion effects contribute less than 25 % of the interaction. We believe that the present results should lead to a greater understanding of the basis for anion-? interactions of coinage metal anions. PMID:23989771

  9. TWELVE MONTHLY MAPS OF GROUND ALBEDO PARAMETERS DERIVED FROM MODIS DATA SETS

    E-print Network

    Boyer, Edmond

    TWELVE MONTHLY MAPS OF GROUND ALBEDO PARAMETERS DERIVED FROM MODIS DATA SETS P. Blanc, B. Gschwind is making available to anyone worldwide maps of ground albedo parameters that are derived from the MODIS irradiance, fromthe direction of the sun, and the diffuse irradiance originating from the rest of the sky

  10. Effects of Ignoring Item Interaction on Item Parameter Estimation and Detection of Interacting Items

    ERIC Educational Resources Information Center

    Chen, Cheng-Te; Wang, Wen-Chung

    2007-01-01

    This study explores the effects of ignoring item interaction on item parameter estimation and the efficiency of using the local dependence index Q[subscript 3] and the SAS NLMIXED procedure to detect item interaction under the three-parameter logistic model and the generalized partial credit model. Through simulations, it was found that ignoring…

  11. Linear elastic properties derivation from microstructures representative of transport parameters.

    PubMed

    Hoang, Minh Tan; Bonnet, Guy; Tuan Luu, Hoang; Perrot, Camille

    2014-06-01

    It is shown that three-dimensional periodic unit cells (3D PUC) representative of transport parameters involved in the description of long wavelength acoustic wave propagation and dissipation through real foam samples may also be used as a standpoint to estimate their macroscopic linear elastic properties. Application of the model yields quantitative agreement between numerical homogenization results, available literature data, and experiments. Key contributions of this work include recognizing the importance of membranes and properties of the base material for the physics of elasticity. The results of this paper demonstrate that a 3D PUC may be used to understand and predict not only the sound absorbing properties of porous materials but also their transmission loss, which is critical for sound insulation problems. PMID:24907783

  12. Supramolecular Interactions of Terpyridine-Derived Cores of Metallomesogen Precursors

    PubMed Central

    Lee, Young Hoon; Harrowfield, Jack M.; Shin, Jong Won; Won, Mi Seon; Rukmini, Elisabeth; Hayami, Shinya; Min, Kil Sik; Kim, Yang

    2013-01-01

    Use of Hirshfeld surfaces calculated from crystal structure determinations on various transition metal ion complexes of three terpyridine ligands carrying trimethoxyphenyl substituents has enabled an assessment of the contribution made by the ligand components to the interactions determining the lattice structures, interactions expected also to be present in metallomesogens derived from similar ligands. The form of the link joining the trimethoxyphenyl substituent to the 4? position of 2,2?;6?,2?-terpyridine is of some importance. In the case of the Co(II) complexes of two of the ligands, their spin-crossover characteristics can be rationalised in terms of the different interactions seen in their lattices. PMID:24132156

  13. Interacting quintessence from a variational approach. II. Derivative couplings

    NASA Astrophysics Data System (ADS)

    Böhmer, Christian G.; Tamanini, Nicola; Wright, Matthew

    2015-06-01

    We consider an original variational approach for building new models of quintessence interacting with dark or baryonic matter. The coupling is introduced at the Lagrangian level using a variational formulation for relativistic fluids, where the interacting term generally depends on both the dynamical degrees of freedom of the theory and their spacetime derivatives. After deriving the field equations from the action, we consider applications in the context of cosmology. Two simple models are studied using dynamical system techniques showing the interesting phenomenology arising in this framework. We find that these models contain dark energy dominated late-time attractors with early-time matter dominated epochs and also obtain a possible dynamical crossing of the phantom barrier. The formulation and results presented here complete and expand the analysis exposed in the first part of this work, where only algebraic couplings, without spacetime derivatives, were considered.

  14. Interacting quintessence from a variational approach Part II: derivative couplings

    E-print Network

    Christian G. Boehmer; Nicola Tamanini; Matthew Wright

    2015-06-03

    We consider an original variational approach for building new models of quintessence interacting with dark or baryonic matter. The coupling is introduced at the Lagrangian level using a variational formulation for relativistic fluids, where the interacting term generally depends on both the dynamical degrees of freedom of the theory and their spacetime derivatives. After deriving the field equations from the action, we consider applications in the context of cosmology. Two simple models are studied using dynamical system techniques showing the interesting phenomenology arising in this framework. We find that these models contain dark energy dominated late time attractors with early time matter dominated epochs and also obtain a possible dynamical crossing of the phantom barrier. The formulation and results presented here complete and expand the analysis exposed in the first part of this work, where only algebraic couplings, without spacetime derivatives, were considered.

  15. Hydrogen bonding NH/? interactions between betacarboline and methyl benzene derivatives

    NASA Astrophysics Data System (ADS)

    Muñoz, María. A.; Sama, Octavio; Galán, Manuel; Guardado, Pilar; Carmona, Carmen; Balón, Manuel

    2001-04-01

    In the presence of benzene, toluene, m-xylene, mesitylene and durene, the pyrrolic NH stretching band of betacarboline, 9H-pyrido[3,4-b]indole, and its 1-methyl derivative, harmane, in tetrachloroethane diminishes in intensity while a new red-shifted band grows up. The shifts of the associated bands increase linearly with the ?-electron density of the substrates. These spectral changes are attributed to the formation of 1:1 molecular association complexes between the betacarbolines and the benzenoid substrates. The complexes are stabilized by the hydrogen-bonding interaction between the pyrrolic NH group of betacarboline and the ?-delocalized electrons of the benzene derivatives. The influence of these NH/? hydrogen-bonding interactions in the fluorescence spectra of betacarboline is discussed.

  16. Derivation of tree stem structural parameters from static terrestrial laser scanning data

    NASA Astrophysics Data System (ADS)

    Tian, Wei; Lin, Yi; Liu, Yajing; Niu, Zheng

    2014-11-01

    Accurate tree-level characteristic information is increasingly demanded for forest management and environment protection. The cutting-edge remote sensing technique of terrestrial laser scanning (TLS) shows the potential of filling this gap. This study focuses on exploring the methods for deriving various tree stem structural parameters, such as stem position, diameter at breast height (DBH), the degree of stem shrinkage, and the elevation angle and azimuth angle of stem inclination. The data for test was collected with a Leica HDS6100 TLS system in Seurasaari, Southern Finland in September 2010. In the field, the reference positions and DBHs of 100 trees were measured manually. The isolation of individual trees is based on interactive segmentation of point clouds. The estimation of stem position and DBH is based on the schematic of layering and then least-square-based circle fitting in each layer. The slope of robust fit line between the height of each layer and DBH is used to characterize the stem shrinkage. The elevation angle of stem inclination is described by the angle between the ground plane and the fitted stem axis. The angle between the north direction and the fitted stem axis gives the azimuth angle of stem inclination. The estimation of the DBHs performed with R square (R2) of 0.93 and root mean square error (RMSE) of 0.038m.The average angle corresponding to stem shrinkage is -1.86°. The elevation angles of stem inclinations are ranged from 31° to 88.3°. The results have basically validated TLS for deriving multiple structural parameters of stem, which help better grasp tree specialties.

  17. Bulk properties of light deformed nuclei derived from a medium-modified meson-exchange interaction

    E-print Network

    F. Gruemmer; B. Q. Chen; Z. Y. Ma; S. Krewald

    1996-09-06

    Deformed Hartree-Fock-Bogoliubov calculations for finite nuclei are carried out. As residual interaction, a Brueckner G-matrix derived from a meson-exchange potential is taken. Phenomenological medium modifications of the meson masses are introduced. The binding energies, radii, and deformation parameters of the Carbon, Oxygen, Neon, and Magnesium isotope chains are found to be in good agreement with the experimental data.

  18. Derivation of Cinnamon Blocks Leukocyte Attachment by Interacting with Sialosides

    PubMed Central

    Lin, Wei-Ling; Guu, Shih-Yun; Tsai, Chan-Chuan; Prakash, Ekambaranellore; Viswaraman, Mohan; Chen, Hsing-Bao; Chang, Chuan-Fa

    2015-01-01

    Molecules derived from cinnamon have demonstrated diverse pharmacological activities against infectious pathogens, diabetes and inflammatory diseases. This study aims to evaluate the effect of the cinnamon-derived molecule IND02 on the adhesion of leukocytes to host cells. The anti-inflammatory ability of IND02, a pentameric procyanidin type A polyphenol polymer isolated from cinnamon alcohol extract, was examined. Pretreatment with IND02 significantly reduced the attachment of THP-1 cells or neutrophils to TNF-?-activated HUVECs or E-selectin/ICAM-1, respectively. IND02 also reduced the binding of E-, L- and P-selectins with sialosides. Furthermore, IND02 could agglutinate human red blood cells (RBC), and the agglutination could be disrupted by sialylated glycoprotein. Our findings demonstrate that IND02, a cinnamon-derived compound, can interact with sialosides and block the binding of selectins and leukocytes with sialic acids. PMID:26076445

  19. LOCALIZED PARAMETER-EXPLICIT BOUNDS ON THE DERIVATIVES OF THE SOLUTION TO A SINGULARLY

    E-print Network

    LOCALIZED PARAMETER-EXPLICIT BOUNDS ON THE DERIVATIVES OF THE SOLUTION TO A SINGULARLY PERTURBED of singularly perturbed elliptic partial dif- ferential equations posed on a rectangular domain is studied. The differential equation contains two singular perturbation parameters. The solutions of these singularly

  20. Interaction between subdaily Earth rotation parameters and GPS orbits

    NASA Astrophysics Data System (ADS)

    Panafidina, Natalia; Seitz, Manuela; Hugentobler, Urs

    2013-04-01

    In processing GPS observations the geodetic parameters like station coordinates and ERPs (Earth rotation parameters) are estimated w.r.t. the celestial reference system realized by the satellite orbits. The interactions/correlations between estimated GPS orbis and other parameters may lead to numerical problems with the solution and introduce systematic errors in the computed values: the well known correlations comprise 1) the correlation between the orbital parameters determining the orientation of the orbital plane in inertial space and the nutation and 2) in the case of estimating ERPs with subdaily resolution the correlation between retrograde diurnal polar motion and nutation (and so the respective orbital elements). In this contribution we study the interaction between the GPS orbits and subdaily model for the ERPs. Existing subdaily ERP model recommended by the IERS comprises ~100 terms in polar motion and ~70 terms in Universal Time at diurnal and semidiurnal tidal periods. We use a long time series of daily normal equation systems (NEQ) obtaine from GPS observations from 1994 till 2007 where the ERPs with 1-hour resolution are transformed into tidal terms and the influence of the tidal terms with different frequencies on the estimated orbital parameters is considered. We found that although there is no algebraic correlation in the NEQ between the individual orbital parameters and the tidal terms, the changes in the amplitudes of tidal terms with periods close to 24 hours can be better accmodated by systematic changes in the orbital parameters than for tidal terms with other periods. Since the variation in Earth rotation with the period of siderial day (23.93h, tide K1) in terrestrial frame has in inertial space the same period as the period of revolution of GPS satellites, the K1 tidal term in polar motion is seen by the satellites as a permanent shift. The tidal terms with close periods (from ~24.13h to ~23.80h) are seen as a slow rotation of the celestial pole with periods of about a year and less. We make an estimate of the systematic changes introduced in the orbital parameters in the case if erroneous tidal model is kept fixed in the processing.

  1. Redox interactions of nitric oxide with dopamine and its derivatives.

    PubMed

    Antunes, Fernando; Nunes, Carla; Laranjinha, João; Cadenas, Enrique

    2005-03-15

    Nitric oxide (*NO) is a ubiquitous diffusible messenger in the central nervous system. *NO and derived nitrogen species may interact with catecholamines, thus, modifying not only its regulatory actions but also producing oxidants and free radicals that are likely to trigger toxic pathways in the nervous system. Oxidative pathways and chain oxidation reactions triggered by catecholamines may be broken by ascorbate and glutathione, of which there is ample supply in the brain. At the subcellular level, mitochondria and cytosolic dopamine storage vesicles are likely to provide site-specific settings for *NO and catecholamines interactions. Thus, a complex picture emerges in which the steady- state levels of the individual reactants, the rate constants of the reactions involved, the oxygen tension, and the compartmentalization of reactions determine the biological significance of the redox interactions between *NO and dopamine metabolism in the brain. The physiological relevance of *NO-driven chemical modifications of dopamine and its derivatives and the ensuing free radical production are discussed in connection with the neurodegeneration inherent in Parkinson's disease. PMID:15691585

  2. Great Plains ASPEN Model Development: binary interaction parameters and activity coefficient parameters. Final report

    SciTech Connect

    Stern, S.S.; Millman, M.C.; Kirman, J.J.; Nwogu, D.

    1984-12-01

    The simulation of the various sections of the Great Plains Coal Gasification Plant involves modelling vapor-liquid equilibria and liquid-liquid equilibria that are highly nonideal. The Peng-Robinson equation of state, modified for water, was used in the simulation of most of the process sections. Interaction parameters established by regression of literature data, using ASPEN's DRS system, along with interaction parameter values found in the literature, became the database for the simulation. In two of the sections, the Oxygen Plant and the TEG drying of the product SNG, activity coefficient models were used because they gave a better prediction of the phase equilibrium. For the Rectisol unit, which removes hydrogen sulfide from the gas, parameters available from a DOE sponsored contract, Tristate, were used, after verification, for the ASPEN modified version of the RKS. The phases that were predicted using these parameters were checked against literature data and, in most cases, the liquid mole fractions of carbon dioxide predicted by the correlation were within 10% of those reported. A model that would predict phase equilibrium, based on the ionization of Lewis acids and bases and salts, would have been an ideal choice for simulation of the Stretford and Phosam flowsheets. However, only limited temperature dependent liquid activity coefficients data are available in the literature for the ionic species found in the Stretford and Phosam solutions, from which correlation parameters could be obtained by regression. Also, only the flash model can handle this type of calculation; therefore, it was used only to a limited extent in the simulation of the Stretford Unit Absorber. 118 references.

  3. Power Saving Optimization for Linear Collider Interaction Region Parameters

    SciTech Connect

    Seryi, Andrei; /SLAC

    2009-10-30

    Optimization of Interaction Region parameters of a TeV energy scale linear collider has to take into account constraints defined by phenomena such as beam-beam focusing forces, beamstrahlung radiation, and hour-glass effect. With those constraints, achieving a desired luminosity of about 2E34 would require use of e{sup +}e{sup -} beams with about 10 MW average power. Application of the 'travelling focus' regime may allow the required beam power to be reduced by at least a factor of two, helping reduce the cost of the collider, while keeping the beamstrahlung energy loss reasonably low. The technique is illustrated for the 500 GeV CM parameters of the International Linear Collider. This technique may also in principle allow recycling the e{sup +}e{sup -} beams and/or recuperation of their energy.

  4. Interaction of bleomycin and its oligonucleotide derivatives with nucleic acids

    NASA Astrophysics Data System (ADS)

    Sergeyev, D. S.; Zarytova, V. F.

    1996-04-01

    Various aspects of interaction of the antitumour glycopeptide antibiotic bleomycin with nucleic acids are considered. Data on equilibrium binding parameters obtained by various physicochemical methods have been collected and compared. The contribution of N- and C-terminal domains of the glycopeptide molecule to the binding with DNA and sequence specificity of DNA cleavage are discussed. Data on a recently created new class of compounds — bleomycin — oligonucleotide conjugates — are presented. These compounds, like antibiotics, possess DNA-cleaving activity (also in a catalytic manner) together with high selectivity towards a selected nucleotide sequence. The bibliography includes 267 references.

  5. Ultlra-intense laser-matter interactions at extreme parameters

    SciTech Connect

    Hegellich, Bjorn M [Los Alamos National Laboratory

    2010-11-24

    The field of shortpulse lasers has seen rapid growth in the recent years with the three major boundaries of energy, pulse duration and repetition rate being pushed in ever extremer regions. At peak powers, already exceeding 10{sup 22} W/cm{sup 2}, in virtually every experiment in relativistic laser physics, the laser pulse interacts with a more or less extended and heated plasma, due to prepulses and ASE-like pedestals on ps - ns time scales. By developing a new technique for ultrahigh contrast, we were able to initiate the next paradigm shift in relativistic laser-matter interactions, allowing us to interact ultrarelativistic pulses volumetrically with overdense targets. This becomes possible by using target and laser parameters that will turn the target relativistically transparent during the few 10s-100s femtoseconds fo the interaction. Specifically, we interact an ultraintese, ultrahigh contrast pulse with solid density, free standing, nanometer diamond target. This paradigm change towards a volumetric overdense interaction in turn enables new particle acceleration mechanisms for both electrons and ions, as well as forward directed relativistic surface harmonics. We report here on first experiments done on those topics at the 200 TW Trident laser at Los Alamos as well as at the Ti:Sapphire system at MBI. We will compare the experimental data to massive large scale 3D simulations done on the prototype of LANL's new Petafiop supercomputer Roadrunner, which is leading the current top 500 list. Specifically, we developed a shortpulse OPA based pulse cleaning technique. Fielding it at the Trident 200 TW laser at Los Alamos, we were able to improve the pulse contrast by 6 orders of magnitude to better than 2 x 10{sup -12} at less than a ps. This enabled for the first time the interaction of a 100J, 200TW laser pulse with a truly solid target with virtually no expansion before the main pulse - target interaction, making possible the use of very thin targets, The thinnest of these at less than 3nm, i.e. 1/300 of the laser wavelength, are even thinner than the plasma skin depth. This drastically changes the laser-matter interaction physics leading to the emergence of new particle acceleration mechanisms, like Break-Out Afterburner (BOA) Acceleration, driven by a relativistic, kinetic plasma instability or Radiation Pressure Acceleration (RPA), driven by stabilized charge separation. Furthermore, these interactions also produce relativistic high harmonics in forward direction as well as mono-en,ergetic electron pulses which might lend itself as a source for fully coherent Thomson scattering in the mulit-keV regime. In this talk I will present an overview over the laser developments leading to this paradigm change as well as over the theoretical and experimental results following from it. Specifically we were able for the first time to demonstrate BOA acceleration of Carbon ions to up to 0.5 GeV using a laser pulse with {approx}10{sup 20} W/cm{sup 2} intensity and showing the scalability of this mechanism into regimes relevant for Hadron Therapy. We were further able to demonstrate mono-energetic electron break-out from ultrathin targets, as a first step towards a flying mirror.

  6. Baseline 18F-FDG PET image derived parameters for therapy response prediction in oesophageal cancer

    E-print Network

    Paris-Sud XI, Université de

    tumour or lymph nodes [4]. A complete response occurs only in 15-30% of cases and is associated1 Baseline 18F-FDG PET image derived parameters for therapy response prediction in oesophageal LaTIM, 2 Department of Radiotherapy, CHU Morvan, Brest, France Running title: 18 F-FDG PET indices

  7. THE USE OF HIGH-RESOLUTION SATELLITE IMAGERY FOR DERIVING GEOTECHNICAL PARAMETERS APPLIED TO LANDSLIDE SUSCEPTIBILITY

    Microsoft Academic Search

    L. Blesius; F Weirich

    In order to mitigate hazards of mass failure, the first step is the identification of potentially unstable slopes, resulting in a landslide susceptibility map. Satellite imagery is an important component in the derivation of critical parameters. Susceptibility maps can be constructed in a variety of ways, including multivariate statistics, heuristic models, and geotechnical models. Each method has been shown to

  8. The Derivation of Cloud Parameters from Satellite-measured Radiances for Use in Surface Radiation Calculations

    Microsoft Academic Search

    Ming-Dah Chou

    1991-01-01

    A simple scheme is developed to infer cloud amount, optical thickness, and height from satellite-measured radiances for use in surface radiation calculations. The essence of the cloud scheme is to specify a cloud reflectivity threshold for identifying pixels that are likely to be totally filled with clouds. Area-averaged values for the three cloud parameters are derived from the reflectivities of

  9. Deriving Shape Space Parameters from Immunological Data1 Derek J. Smith

    E-print Network

    Forrest, Stephanie

    of Theoretical Biology. 1 #12;1 Introduction Cross-reactive memory is observed when an individualdevelops memory data, and illustrate the method by deriving shape space parameters for a model of cross-reactive memory. Cross-reactive memory responses occur when the immune system is primed by one strain of a pathogen

  10. Intercomparison of tritium and noble gases analyses, 3 and derived parameters excess air and recharge temperature

    E-print Network

    Intercomparison of tritium and noble gases analyses, 3 H/3 He ages and derived parameters excess with the tritium­helium (3 H/3 He) method has become a powerful tool for hydrogeologists. The uncertainty in the inter- comparison for tritium analyses and ten laboratories participated in the noble gas

  11. Cosmic Confusion: Degeneracies among Cosmological Parameters Derived from Measurements of Microwave Background Anisotropies

    E-print Network

    G. Efstathiou; J. R. Bond

    1998-07-10

    In the near future, observations of the cosmic microwave background (CMB) anisotropies will provide accurate determinations of many fundamental cosmological parameters. In this paper, we analyse degeneracies among cosmological parameters to illustrate some of the limitations inherent in CMB parameter estimation. For simplicity, throughout our analysis we assume a cold dark matter universe with power-law adiabatic scalar and tensor fluctuation spectra. We show that most of the variance in cosmological parameter estimates is contributed by a small number (two or three) principal components. An exact likelihood analysis shows that the usual Fisher matrix approach can significantly overestimate the errors on cosmological parameters. We show that small correlated errors in estimates of the CMB power spectrum at levels well below the cosmic variance limits, (caused, for example, by Galactic foregrounds or scanning errors) can lead to significant biases in cosmological parameters. Estimates of cosmological parameters can be improved very significantly by applying theoretical restrictions to the tensor component and external constraints derived from more conventional astronomical observations such as measurements of he Hubble constant, Type 1a supernovae distances and observations of galaxy clustering and peculiar velocities.

  12. Cosmic confusion: degeneracies among cosmological parameters derived from measurements of microwave background anisotropies

    NASA Astrophysics Data System (ADS)

    Efstathiou, G.; Bond, J. R.

    1999-03-01

    In the near future, observations of the cosmic microwave background (CMB) anisotropies will provide accurate determinations of many fundamental cosmological parameters. In this paper, we analyse degeneracies among cosmological parameters to illustrate some of the limitations inherent in CMB parameter estimation. For simplicity, throughout our analysis we assume a cold dark matter universe with power-law adiabatic scalar and tensor fluctuation spectra. We show that most of the variance in cosmological parameter estimates is contributed by a small number (two or three) of principal components. An exact likelihood analysis shows that the usual Fisher matrix approach can significantly overestimate the errors on cosmological parameters. We show that small correlated errors in estimates of the CMB power spectrum at levels well below the cosmic variance limits (caused, for example, by Galactic foregrounds or scanning errors) can lead to significant biases in cosmological parameters. Estimates of cosmological parameters can be improved very significantly by applying theoretical restrictions to the tensor component, and external constraints derived from more conventional astronomical observations such as measurements of the Hubble constant, Type 1a supernovae distances and observations of galaxy clustering and peculiar velocities.

  13. Comparison of the Photophysical Parameters for Three Perylene Bisimide Derivatives by Single-Molecule Spectroscopy

    Microsoft Academic Search

    Erwin Lang; Richard Hildner; Hanna Engelke; Peter Osswald; Frank Würthner; Jürgen Köhler

    2007-01-01

    Characterization of the photophysical parameters for three pery- lene bisimide derivatives is presented. We exploited time-resolved and steady-state spectroscopy on both ensembles and single molecules under ambient as well as cryogenic (1.4 K) conditions. The finding is that these chromophores show extraordinary high fluorescence-emission rates, low intersystem crossing yields to the triplet state, and relatively short triplet lifetimes.

  14. Interaction of aldehydes derived from lipid peroxidation and membrane proteins

    PubMed Central

    Pizzimenti, Stefania; Ciamporcero, Eric; Daga, Martina; Pettazzoni, Piergiorgio; Arcaro, Alessia; Cetrangolo, Gianpaolo; Minelli, Rosalba; Dianzani, Chiara; Lepore, Alessio; Gentile, Fabrizio; Barrera, Giuseppina

    2013-01-01

    A great variety of compounds are formed during lipid peroxidation of polyunsaturated fatty acids of membrane phospholipids. Among them, bioactive aldehydes, such as 4-hydroxyalkenals, malondialdehyde (MDA) and acrolein, have received particular attention since they have been considered as toxic messengers that can propagate and amplify oxidative injury. In the 4-hydroxyalkenal class, 4-hydroxy-2-nonenal (HNE) is the most intensively studied aldehyde, in relation not only to its toxic function, but also to its physiological role. Indeed, HNE can be found at low concentrations in human tissues and plasma and participates in the control of biological processes, such as signal transduction, cell proliferation, and differentiation. Moreover, at low doses, HNE exerts an anti-cancer effect, by inhibiting cell proliferation, angiogenesis, cell adhesion and by inducing differentiation and/or apoptosis in various tumor cell lines. It is very likely that a substantial fraction of the effects observed in cellular responses, induced by HNE and related aldehydes, be mediated by their interaction with proteins, resulting in the formation of covalent adducts or in the modulation of their expression and/or activity. In this review we focus on membrane proteins affected by lipid peroxidation-derived aldehydes, under physiological and pathological conditions. PMID:24027536

  15. Interaction of aldehydes derived from lipid peroxidation and membrane proteins.

    PubMed

    Pizzimenti, Stefania; Ciamporcero, Eric; Daga, Martina; Pettazzoni, Piergiorgio; Arcaro, Alessia; Cetrangolo, Gianpaolo; Minelli, Rosalba; Dianzani, Chiara; Lepore, Alessio; Gentile, Fabrizio; Barrera, Giuseppina

    2013-01-01

    A great variety of compounds are formed during lipid peroxidation of polyunsaturated fatty acids of membrane phospholipids. Among them, bioactive aldehydes, such as 4-hydroxyalkenals, malondialdehyde (MDA) and acrolein, have received particular attention since they have been considered as toxic messengers that can propagate and amplify oxidative injury. In the 4-hydroxyalkenal class, 4-hydroxy-2-nonenal (HNE) is the most intensively studied aldehyde, in relation not only to its toxic function, but also to its physiological role. Indeed, HNE can be found at low concentrations in human tissues and plasma and participates in the control of biological processes, such as signal transduction, cell proliferation, and differentiation. Moreover, at low doses, HNE exerts an anti-cancer effect, by inhibiting cell proliferation, angiogenesis, cell adhesion and by inducing differentiation and/or apoptosis in various tumor cell lines. It is very likely that a substantial fraction of the effects observed in cellular responses, induced by HNE and related aldehydes, be mediated by their interaction with proteins, resulting in the formation of covalent adducts or in the modulation of their expression and/or activity. In this review we focus on membrane proteins affected by lipid peroxidation-derived aldehydes, under physiological and pathological conditions. PMID:24027536

  16. [Synthesis of chrysin derivatives and their interaction with DNA].

    PubMed

    Zhang, Zun-Ting; Chen, Li-Li

    2007-05-01

    Using chrysin as a leading compound, intermediate 5, 7-dihydroxy-6, 8-bis (hydroxymethyl) flavone (1) was synthesized by hydroxymethylation. The intermediate reacted with different alcohols to afford 5, 7-dihydroxy-6, 8-bis ( methoxymethyl) flavone (2), 6, 8-bis (ethoxymethyl) -5, 7dihydroxyflavone (3), 6, 8-bis-(butoxymethyl)-5, 7-dihydroxyflavone (4), 6, 8-bis (pentyloxymethyl) -5,7-dihydroxy flavone (5) and 6, 8-bis-(ethoxymethyl) -5-hydroxy-7-methoxyflavone (6). These compounds were characterized by IR, 1H NMR, 13C NMR and element analysis. The crystal structure of 6 was determined by X-ray crystal diffraction. The interaction of the derivatives with CT-DNA was studied by fluorescent spectroscopy. According to the Stern-Volmer equation, the quenching constants of the compounds 1 - 4 were measured, separately, they were K(q1) = 9.71 x 10(3) L x mol(-1), K(q2) = 2.25 x 10(4) L x mol(-1), K(q3) = 1.03 x 10(4) L x mol(-1) and K(q4) = 7.96 x 10(3) L x mol(-1). Compounds 1-4 showed higher binding affinity with DNA than chrysin did. The results provided the experimental basis for developing a more effective flavonoid and worthing further thoroughly study. PMID:17703770

  17. Site-Specific Reference Person Parameters and Derived Concentration Standards for the Savannah River Site

    DOE PAGESBeta

    Stone, Daniel K.; Higley, Kathryn A.; Jannik, G. Timothy

    2014-01-01

    The U.S. Department of Energy Order 458.1 states that the compliance with the 1 mSv annual dose constraint to a member of the public may be demonstrated by calculating dose to the maximally exposed individual (MEI) or to a representative person. Historically, the MEI concept was used for dose compliance at the Savannah River Site (SRS) using adult dose coefficients and adult male usage parameters. For future compliance, SRS plans to use the representative person concept for dose estimates to members of the public. The representative person dose will be based on the reference person dose coefficients from the U.S.more »DOE Derived Concentration Technical Standard and on usage parameters specific to SRS for the reference and typical person. Usage parameters and dose coefficients were determined for inhalation, ingestion and external exposure pathways. The parameters for the representative person were used to calculate and tabulate SRS-specific derived concentration standards (DCSs) for the pathways not included in DOE-STD-1196-2011.« less

  18. Site-Specific Reference Person Parameters and Derived Concentration Standards for the Savannah River Site

    SciTech Connect

    Stone, Daniel K. [Oregon State Univ., Corvallis, OR (United States). Dept. of Nuclear Engineering and Health Physics; Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Higley, Kathryn A. [Oregon State Univ., Corvallis, OR (United States). Dept. of Nuclear Engineering and Health Physics; Jannik, G. Timothy [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2014-01-01

    The U.S. Department of Energy Order 458.1 states that the compliance with the 1 mSv annual dose constraint to a member of the public may be demonstrated by calculating dose to the maximally exposed individual (MEI) or to a representative person. Historically, the MEI concept was used for dose compliance at the Savannah River Site (SRS) using adult dose coefficients and adult male usage parameters. For future compliance, SRS plans to use the representative person concept for dose estimates to members of the public. The representative person dose will be based on the reference person dose coefficients from the U.S. DOE Derived Concentration Technical Standard and on usage parameters specific to SRS for the reference and typical person. Usage parameters and dose coefficients were determined for inhalation, ingestion and external exposure pathways. The parameters for the representative person were used to calculate and tabulate SRS-specific derived concentration standards (DCSs) for the pathways not included in DOE-STD-1196-2011.

  19. Derivative-free optimization of rate parameters of capsid assembly models from bulk in vitro data

    E-print Network

    Xie, Lu; Schwartz, Russell

    2015-01-01

    The assembly of virus capsids from free coat proteins proceeds by a complicated cascade of association and dissociation steps, the great majority of which cannot be directly experimentally observed. This has made capsid assembly a rich field for computational models to attempt to fill the gaps in what is experimentally observable. Nonetheless, accurate simulation predictions depend on accurate models and there are substantial obstacles to model inference for such systems. Here, we describe progress in learning parameters for capsid assembly systems, particularly kinetic rate constants of coat-coat interactions, by computationally fitting simulations to experimental data. We previously developed an approach to learn rate parameters of coat-coat interactions by minimizing the deviation between real and simulated light scattering data monitoring bulk capsid assembly in vitro. This is a difficult data-fitting problem, however, because of the high computational cost of simulating assembly trajectories, the stochas...

  20. Usefulness of Derived Frank Lead Parameters in Screening for Coronary Artery Disease and Cardiomyopathy

    NASA Technical Reports Server (NTRS)

    DePalma, J. L.; Schlegel, T. T.; Arenare, B.; Greco, E. C.; Starc, V.; Rahman, M. A.; Delgado, R.

    2007-01-01

    We investigated the accuracy of several known as well as newly-introduced derived Frank-lead ECG parameters in differentiating healthy individuals from patients with obstructive coronary artery disease (CAD) and cardiomyopathy (CM). Advanced high-fidelity 12-lead ECG tests (approx. 5-min supine) were first performed on a "training set" of 99 individuals: 33 with ischemic or dilated CM and low ejection fraction (EF less than 40%); 33 with catheterization-proven obstructive CAD but normal EF; and 33 age-/gender-matched healthy controls. The following derived Frank lead parameters were studied for their accuracy in detecting CAD and CM: the spatial ventricular gradient (VG), including its beat-to-beat coefficient of variability (VG CV); the spatial mean QRS (SM-QRS) and T-waves (SM-T) and their beat-to-beat coefficients of variability; the spatial ventricular activation time (VAT); the mean and maximum spatial QRS-T angles; and standard late potentials parameters (RMS40, fQRSD and LAS). Several of these parameters were accurate in discriminating between the control group and both diseased groups at p less than 0.0001. For example the fQRSD, VG CV, mean spatial QRS-T angle and VG minus SM-QRS (which is similar to the SM-T) had retrospective areas under the ROC curve of 0.78, 0.78, 0.80, and 0.84 (CAD vs. controls) and 0.93, 0.88, 0.98 and 0.99 (CM vs. controls), respectively. The single most effective parameter in discriminating between the CAD and CM groups was the spatial VAT (44 plus or minus 5.8 vs. 53 plus or minus 9.9 ms, p less than 0.0001), with an area under the ROC curve of 0.80. Since subsequent prospective analyses using new groups of patients and healthy subjects have yielded only slightly less accurate results, we conclude that derived Frank-lead parameters show great promise for potentially contributing to the development of a rapid and inexpensive resting ECG-based screening test for heart disease.

  1. Site-specific reference person parameters and derived concentration standards for the Savannah River Site.

    PubMed

    Stone, Daniel K; Higley, Kathryn A; Jannik, G Timothy

    2014-05-01

    The U.S. Department of Energy Order 458.1 states that the compliance with the 1 mSv annual dose constraint to a member of the public may be demonstrated by calculating dose to the maximally exposed individual (MEI) or to a representative person. Historically, the MEI concept was used for dose compliance at the Savannah River Site (SRS) using adult dose coefficients and adult male usage parameters. For future compliance, SRS plans to use the representative person concept for dose estimates to members of the public. The representative person dose will be based on the reference person dose coefficients from the U.S. DOE Derived Concentration Technical Standard and on usage parameters specific to SRS for the reference and typical person. Usage parameters and dose coefficients were determined for inhalation, ingestion and external exposure pathways. The reference intake for air, water, meat, dairy, freshwater fish, saltwater invertebrates, produce (fruits and vegetables), and grains for the 95th percentile are 17.4 m d, 2.19 L d, 220.6 g d, 674 cm d, 66.4 g d, 23.0 g d, 633.4 g d (448.5 g dand 631.7 g d) and 251.3 g d, respectively. For the 50th percentile: 13.4 m d, 0.809 L d, 86.4 g d, 187 cm d, 8.97 g d, 3.04 g d, 169.5 g d (45.9 g d and 145.6 g d), 101.3 g d, respectively. These parameters for the representative person were used to calculate and tabulate SRS-specific derived concentration standards (DCSs) for the pathways not included in DOE-STD-1196-2011. PMID:24667386

  2. Cubic interaction parameters for t2g Wannier orbitals

    NASA Astrophysics Data System (ADS)

    Ribic, T.; Assmann, E.; Tóth, A.; Held, K.

    2014-10-01

    Many-body calculations for multi-orbital systems at present typically employ Slater or Kanamori interactions which implicitly assume a full rotational invariance of the orbitals, whereas the real crystal has a lower symmetry. In cubic symmetry, the low-energy t2g orbitals have an on-site Kanamori interaction, albeit without the constraint U =U'+2J implied by spherical symmetry (U is the intra-orbital interaction, U' is the interorbital interaction, J is Hund's exchange). Using maximally localized Wannier functions we show that deviations from the standard, spherically symmetric interactions are indeed significant for 5d orbitals (˜25% for BaOsO3; ˜12% if screening is included) but are less important for 3d orbitals (˜6% for SrVO3; ˜1% if screened).

  3. Constraints on light neutrino parameters derived from the study of neutrinoless double beta decay

    E-print Network

    Sabin Stoica; Andrei Neacsu

    2014-05-02

    The study of the neutrinoless double beta ($0 \\beta\\beta$) decay mode can provide us with important information on the neutrino properties, particularly on the electron neutrino absolute mass. In this work we revise the present constraints on the neutrino mass parameters derived from the $0 \\beta\\beta$ decay analysis of the experimentally interesting nuclei. We use the latest results for the phase space factors (PSFs) and nuclear matrix elements (NMEs), as well as for the experimental lifetimes limits. For the PSFs we use values computed with an improved method reported very recently. For the NMEs we use values chosen from literature on a case-by-case basis, taking advantage of the consensus reached by the community on several nuclear ingredients used in their calculation. Thus, we try to restrict the range of spread of the NME values calculated with di?erent methods and, hence, to reduce the uncertainty in deriving limits for the Majorana neutrino mass parameter. Our results may be useful to have an up-date image on the present neutrino mass sensitivities associated with $0 \\beta\\beta$ measurements for different isotopes and to better estimate the range of values of the neutrino masses that can be explored in the future double beta decay (DBD) experiments.

  4. Aerosol hygroscopicity parameter derived from the light scattering enhancement factor measurements in the North China Plain

    NASA Astrophysics Data System (ADS)

    Chen, J.; Zhao, C. S.; Ma, N.; Yan, P.

    2014-08-01

    The relative humidity (RH) dependence of aerosol light scattering is an essential parameter for accurate estimation of the direct radiative forcing induced by aerosol particles. Because of insufficient information on aerosol hygroscopicity in climate models, a more detailed parameterization of hygroscopic growth factors and resulting optical properties with respect to location, time, sources, aerosol chemistry and meteorology are urgently required. In this paper, a retrieval method to calculate the aerosol hygroscopicity parameter, ?, is proposed based on the in situ measured aerosol light scattering enhancement factor, namely f(RH), and particle number size distribution (PNSD) obtained from the HaChi (Haze in China) campaign. Measurements show that f(RH) increases sharply with increasing RH, and that the time variance of f(RH) is much greater at higher RH. A sensitivity analysis reveals that the f(RH) is more sensitive to the aerosol hygroscopicity than PNSD. f(RH) for polluted cases is distinctly higher than that for clean periods at a specific RH. The derived equivalent ?, combined with the PNSD measurements, is applied in the prediction of the cloud condensation nuclei (CCN) number concentration. The predicted CCN number concentration with the derived equivalent ? agrees well with the measured ones, especially at high supersaturations. The proposed calculation algorithm of ? with the f(RH) measurements is demonstrated to be reasonable and can be widely applied.

  5. Troposphere Parameters Derived from Multi-GNSS Data Processing at GFZ

    NASA Astrophysics Data System (ADS)

    Deng, Zhiguo; Uhlemann, Maik; Fritsche, Mathias; Dick, Galina; Wickert, Jens

    2015-04-01

    Usually, the processing of Global Navigation Satellite System (GNSS) observations requires a thorough consideration of atmospheric parameters for precise applications. Accordingly, GPS meteorology has become a tool which uses measurements from ground-based GPS receivers for atmospheric water vapor sounding. Zenith total delay (ZTD) products derived from GNSS complement different other meteorological observing systems. GPS-based ZTD estimates have also been assimilated into numerical weather prediction (NWP) models. In addition to GPS and GLONASS, the new and emerging satellite navigation systems BeiDou and Galileo provide the potential for extended and more precise GNSS applications. Accordingly, the International GNSS Service (IGS) has initiated the Multi-GNSS Experiment (MGEX) to acquire and analyze data from all four constellations. In view of the increased number of actively transmitting satellites, the ZTD parameter estimation will particularly benefit from an improved spatial distribution of observations tracked by the ground-based receivers. In this contribution, we report on the status of our multi-system (GPS, GLONASS, BeiDou, Galileo) data processing at GFZ. Based on data from the MGEX network we produce multi-GNSS solutions including parameter estimates for satellite orbits, clock, station coordinates and site-specific ZTDs. Our presentation focusses on the validation of ZTDs from the multi-GNSS processing and a comparison with single-system ZTD solutions and GFZ's operational near real-time troposphere products.

  6. Optical performance monitoring by use of artificial neural networks trained with parameters derived from delay-tap asynchronous sampling

    Microsoft Academic Search

    Jeffrey A. Jargon; Xiaoxia Wu; Alan E. Willner

    2009-01-01

    We demonstrate a technique for optical performance monitoring by simultaneously identifying optical signal-to-noise ratio (OSNR), chromatic dispersion (CD), and polarization mode dispersion (PMD) using artificial neural networks trained with parameters derived from delay-tap asynchronous sampling.

  7. Biological parameters influencing the human umbilical cord-derived mesenchymal stem cells' response to retinoic acid.

    PubMed

    Saraee, Farnoosh; Sagha, Mohsen; Mohseni Kouchesfehani, Homa; Abdanipour, Alireza; Maleki, Masoud; Nikougoftar, Mahin

    2014-01-01

    Human umbilical cord-derived mesenchymal stem cells (HUCMSCs) are multipotent fetal stem cells that differentiate into various cell lineages. In recent years, they have gained attention for therapeutic applications but very little is known about their sensitivity to chemical agents such as widely used retinoic acid (RA). As a morphogen inducing differentiation of mesenchymal stem cells, RA has for a long time been known to be a potent teratogen promoting craniofacial and limb abnormality in vertebrate embryos. Here, using MTT assay and EB/AO staining as well as TUNEL assay we show that RA in a concentration-dependent manner induces apoptosis through upregulating Caspase expression and increasing Bax/Bcl2 ratio. Moreover, different biological parameters such as initial time seeding, cell density, passage number and duration of RA treatment play a major role in HUCMSCs cytotoxic response to this agent. PMID:25408532

  8. Resolution dependence of petrophysical parameters derived from X-ray tomography of chalk

    NASA Astrophysics Data System (ADS)

    Müter, D.; Sørensen, H. O.; Jha, D.; Harti, R.; Dalby, K. N.; Suhonen, H.; Feidenhans'l, R.; Engstrøm, F.; Stipp, S. L. S.

    2014-07-01

    X-ray computed tomography data from chalk drill cuttings were taken over a series of voxel dimensions, ranging from 320 to 25 nm. From these data sets, standard petrophysical parameters (porosity, surface area, and permeability) were derived and we examined the effect of the voxel dimension (i.e., image resolution) on these properties. We found that for the higher voxel dimensions, they are severely over or underestimated, whereas for 50 and 25 nm voxel dimension, the resulting values (5%-30% porosity, 0.2-2 m2/g specific surface area, and 0.06-0.34 mD permeability) are within the expected range for this type of rock. We compared our results to macroscopic measurements and in the case of surface area, also to measurements using the Brunauer-Emmett-Teller (BET) method and found that independent of the degree of compaction, the results from tomography amount to about 30% of the BET method. Finally, we concluded that at 25 nm voxel dimension, the essential features of the nanoscopic pore network in chalk are captured but better resolution is still needed to derive surface area.

  9. Resolution dependence of petrophysical parameters derived from X-ray tomography of chalk

    SciTech Connect

    Müter, D.; Sørensen, H. O.; Jha, D.; Harti, R.; Dalby, K. N.; Stipp, S. L. S. [Nano-Science Center, Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø (Denmark); Suhonen, H. [European Synchrotron Research Facility, Grenoble (France); Feidenhans'l, R. [Nano-Science Center, Niels Bohr Institute, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø (Denmark); Engstrøm, F. [Mærsk Oil and Gas A/S, Copenhagen K (Denmark)

    2014-07-28

    X-ray computed tomography data from chalk drill cuttings were taken over a series of voxel dimensions, ranging from 320 to 25?nm. From these data sets, standard petrophysical parameters (porosity, surface area, and permeability) were derived and we examined the effect of the voxel dimension (i.e., image resolution) on these properties. We found that for the higher voxel dimensions, they are severely over or underestimated, whereas for 50 and 25?nm voxel dimension, the resulting values (5%–30% porosity, 0.2–2 m{sup 2}/g specific surface area, and 0.06–0.34 mD permeability) are within the expected range for this type of rock. We compared our results to macroscopic measurements and in the case of surface area, also to measurements using the Brunauer-Emmett-Teller (BET) method and found that independent of the degree of compaction, the results from tomography amount to about 30% of the BET method. Finally, we concluded that at 25?nm voxel dimension, the essential features of the nanoscopic pore network in chalk are captured but better resolution is still needed to derive surface area.

  10. Regionalization of subsurface stormflow parameters of hydrologic models: Derivation from regional analysis of streamflow recession curves

    SciTech Connect

    Ye, Sheng; Li, Hongyi; Huang, Maoyi; Ali, Melkamu; Leng, Guoyong; Leung, Lai-Yung R.; Wang, Shaowen; Sivapalan, Murugesu

    2014-07-21

    Subsurface stormflow is an important component of the rainfall–runoff response, especially in steep terrain. Its contribution to total runoff is, however, poorly represented in the current generation of land surface models. The lack of physical basis of these common parameterizations precludes a priori estimation of the stormflow (i.e. without calibration), which is a major drawback for prediction in ungauged basins, or for use in global land surface models. This paper is aimed at deriving regionalized parameterizations of the storage–discharge relationship relating to subsurface stormflow from a top–down empirical data analysis of streamflow recession curves extracted from 50 eastern United States catchments. Detailed regression analyses were performed between parameters of the empirical storage–discharge relationships and the controlling climate, soil and topographic characteristics. The regression analyses performed on empirical recession curves at catchment scale indicated that the coefficient of the power-law form storage–discharge relationship is closely related to the catchment hydrologic characteristics, which is consistent with the hydraulic theory derived mainly at the hillslope scale. As for the exponent, besides the role of field scale soil hydraulic properties as suggested by hydraulic theory, it is found to be more strongly affected by climate (aridity) at the catchment scale. At a fundamental level these results point to the need for more detailed exploration of the co-dependence of soil, vegetation and topography with climate.

  11. Some turbulence and diffusion parameter estimates within cooling tower plumes derived from sodar data

    SciTech Connect

    Coulter, R.L.; Underwood, K.H.

    1980-12-01

    Temperature and velocity fluctuations within a cooling tower plume in stable conditions at the Keystone power plant in Pennsylvania have been measured by use of a calibrated sodar. Monostatic and bistatic systems probed the plume at several positions 40 to 300 m downwind of the cooling tower. Comparison of the sodar estimates of the temperature and velocity structure parameters (C/sub T/ /sup 2/ and C/sub V/ /sup 2/) with those derived from measurements taken by aircraft at the same location shows acceptable agreement. Alternate methods of averaging profiles of C/sub T/ /sup 2/ through the plume are used to investigate single and relative dispersion coefficients. Both methods describe a linear increase of plume width with distance from the cooling tower. Combining values of temperature and velocity structure parameters leads to estimates of turbulence kinetic energy dissipation rate e near 0.3 m/sup 2/ s/sup -3/ and temperature fluctuation destruction rate N of 0.01--0.21 K/sup 2/ s/sup -1/. T he decrease in C/sub T//sup 2/ and C/sub V/ /sup 2/ is found to be exponential with horizontal distance from the tower; C/sub T/ /sup 2/ decreases more rapidly than C/sub V/ /sup 2/. Time-lapse photography used simultaneously with the sodar measurements indicates that the thermal turbulence plume is larger than the condensation plume by a factor of 2--5.

  12. A numerical model to improve the derivation of aerosols optical parameters from elastic backscatter lidar data

    NASA Astrophysics Data System (ADS)

    Nicolae, Doina; Talianu, Camelia; Nemuc, Anca; Carstea, Emil; Ciuciu, Jeni; Cristescu, Constantin

    2006-09-01

    LIDAR systems have demonstrated their ability to map aerosol variations throughout the atmospheric column and therefore they have has become a central technology in current strategies for tropospheric aerosol research. Its use is complicated, however, by the fact that the lidar signal contains a convolution of two basic optical properties of the aerosol particles: the backscatter coefficient and the extinction coefficient. A quantitative retrieval of either property requires knowledge of their relationship along the laser path which is referred as lidar ratio. If the lidar ratio can not be measured by high spectral resolution lidar, or Raman lidar, then either an assumed value of LR a must be used in the lidar retrieval, leading to very large uncertainties in light extinction , or models can be used for determination of LR a profile. Our research refers to the development of an iterative hybrid regularization technique for elastic backscatter lidar data processing and retrieval of the aerosols optical parameters using the atmospheric model, Mie model and Fernald-Klett, but also Ackermann algorithm for lidar ratio calculation based on relative humidity profile. This study focuses on a numerical investigation about the lidar ratio of tropospheric aerosols characterizing Romanian atmosphere. The model can be also used for other type of atmosphere in order to improve the derivation of aerosols optical parameters from elastic backscatter lidar data when no other information than meteorological data are available.

  13. Fast derivation of soil surface roughness parameters using multi-band SAR imagery and the Integral Equation Model

    E-print Network

    Hamburg,.Universität

    of this model inversion to derive soil surface rough- ness parameters from synthetic aperture radar (SAR) remote parameters. The radar backscattering of soil surface is measured by the SAR sensors and depends on different param- eters: the soil's dielectric constant, surface roughness features, etc. Thus, the captured radar

  14. Estimation of atomic interaction parameters by photon counting

    NASA Astrophysics Data System (ADS)

    Kiilerich, Alexander Holm; Mølmer, Klaus

    2014-05-01

    Detection of radiation signals is at the heart of precision metrology and sensing. In this article we show how the fluctuations in photon-counting signals can be exploited to optimally extract information about the physical parameters that govern the dynamics of the emitter. For a simple two-level emitter subject to photon counting, we show that the Fisher information and the Cramér-Rao sensitivity bound based on the full detection record can be evaluated from the waiting-time distribution in the fluorescence signal which can, in turn, be calculated for both perfect and imperfect detectors by a quantum trajectory analysis. We provide an optimal estimator achieving that bound.

  15. Fosinopril H(2)-receptor antagonists interaction studies by derivative spectroscopy.

    PubMed

    Sultana, Najma; Arayne, M Saeed; Sana, Aisha

    2007-01-01

    Fosinopril sodium, a phosphinic acid derivative is an angiotensin converting enzyme (ACE) inhibitor, which had been employed for the treatment of hypertension and congestive heart failure; long tem use of ACE inhibitor often result in stress ulcers due to which H(2) receptor antagonists are also concurrently prescribed. The later compete with histamine for H(2) receptors and block gastric acid secretion and some cardiovascular effects of histamine. Our studies are focused on the in vitro availability of fosinopril in presence of commonly used H(2) receptor antagonists. Derivative spectroscopy has been employed for the quantitation of fosinopril and H(2) receptor antagonists followed by linear regression analysis. These studies were carried out in buffers of pH 7.4 and 9 at 37, 48 and 60( masculine)C. Stability constant and thermodynamic function had also been calculated in order to evaluate the reaction mechanism. Commonly prescribed H(2) receptor antagonists like cimetidine, ranitidine and famotidine were used in these studies. Present study clearly indicated that most of the H(2) receptor antagonists studied decreased the availability of fosinopril which conclude that availability of fosinopril can be affected by the concurrent administration of H(2) receptor antagonists. PMID:17337423

  16. Photon collider at TESLA: parameters and interaction region issues

    E-print Network

    Valery Telnov

    2001-01-04

    Photon colliders (gamma-gamma, gamma-e) are based on backward Compton scattering of laser light off the high energy electrons of linear colliders. Recent study has shown that the gamma-gamma luminosity in the high energy peak can reach 0.3--0.5 L (e+e-). Typical cross sections of interesting processes in gamma-gamma collisions are higher than those in e+e- collisions by about one order of magnitude, so the number of events in gamma-gamma collisions will be more than that in e+e- collisions. In this paper possible parameters of a photon collider at TESLA and a laser scheme are briefly discussed.

  17. CONSTRAINING THE SYMMETRY PARAMETERS OF THE NUCLEAR INTERACTION

    SciTech Connect

    Lattimer, James M. [Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794-3800 (United States); Lim, Yeunhwan, E-mail: james.lattimer@stonybrook.edu, E-mail: yeunhwan.lim@gmail.com [Department of Physics Education, Daegu University, Gyeongsan 712-714 (Korea, Republic of)

    2013-07-01

    One of the major uncertainties in the dense matter equation of state has been the nuclear symmetry energy. The density dependence of the symmetry energy is important in nuclear astrophysics, as it controls the neutronization of matter in core-collapse supernovae, the radii of neutron stars and the thicknesses of their crusts, the rate of cooling of neutron stars, and the properties of nuclei involved in r-process nucleosynthesis. We show that fits of nuclear masses to experimental masses, combined with other experimental information from neutron skins, heavy ion collisions, giant dipole resonances, and dipole polarizabilities, lead to stringent constraints on parameters that describe the symmetry energy near the nuclear saturation density. These constraints are remarkably consistent with inferences from theoretical calculations of pure neutron matter, and, furthermore, with astrophysical observations of neutron stars. The concordance of experimental, theoretical, and observational analyses suggests that the symmetry parameters S{sub v} and L are in the range 29.0-32.7 MeV and 40.5-61.9 MeV, respectively, and that the neutron star radius, for a 1.4 M{sub Sun} star, is in the narrow window 10.7 km

  18. The Atlas of Vesta Spectral Parameters derived from the mapping spectrometer VIR onboard NASA/Dawn

    NASA Astrophysics Data System (ADS)

    Frigeri, A.; De Sanctis, M.; Ammannito, E.; Tosi, F.; Capria, M.; Capaccioni, F.; Zambon, F.; Palomba, E.; Magni, G.; Jaumann, R.; Raymond, C. A.; Russell, C. T.

    2013-12-01

    From 2011 to 2012 the Visible and Infrared Mapping Spectrometer (VIR) onboard NASA/Dawn spacecraft has mapped the surface of Vesta from three different orbital heights, acquiring infrared and visible spectra from 0.2 to 5 microns, sampled in 864 channels with a spatial resolution up to about 150 m/pixel. From the large amount of spectra retrieved we have derived spectral parameters which can be combined to identify specific physical and compositional states. To start with, we have computed the band center and depth for band I and band II of pyroxenes. Pyroxene's band center I and II are commonly associated with a compositional variation. For example, orthopyroxene bands shift towards longer wavelengths with increasing amounts of iron, while clinopyroxene bands shift towards longer wavelengths with increasing calcium content. Band depths are related to scattering effects, associated to the abundance and the grain size of the absorber. Mapping these parameters on the surface allow to detect terrain units compositions and physical-state in their stratigraphic context. We have produced an atlas of digital maps, projected following the 15-quadrangle scheme commonly adopted for small sized planetary bodies. The digital maps have geospatial metadata and are available in GIS and other scientific programming language formats. A special imagery product has been produced, where the geomorphologic context from the Framing Camera, and the IAU nomenclature have been added to the mineralogic maps. This way we have both quantitative digital maps and print-ready maps. Digital maps are useful in statistical and geo-processing studies, while print-ready maps represent an easy to be consulted high-level data products. As with the atlas we are combining data acquired at very different observing geometries and in different phases of the mission, filtering has been necessary and an iterative process to project data produces results that are incrementally more consistent as we detect and exclude source of artifacts. At the moment of writing, the atlas has reached version 2.0, and most likely it will be updated by fall with an improved version. Moreover, the current number of 56 maps will increase as soon as new parameters, or a combination of them, will be added to the atlas.

  19. An Analysis of Interaction of Anxiety, Aspiration Level and Ability Derived From Ecological Systems Theory.

    ERIC Educational Resources Information Center

    Loose, Kenneth D.; Unruh, Waldemar R.

    A technique for the analysis of ecosystems developed by Odum focuses on the nature of interactions which take place within the system being considered. This technique can be used to assess the contribution of any variable to an interaction. Using data derived from previous research conducted by Feather, the authors employ this technique to examine…

  20. Intermolecular interactions between imidazole derivatives intercalated in layered solids. Substituent group effect

    SciTech Connect

    González, M.; Lemus-Santana, A.A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Rodríguez-Hernández, J. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Instituto de Ciencia y Tecnología de Materiales, Universidad de La Habana, Havana (Cuba); Aguirre-Velez, C.I. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Knobel, M. [Institute of Physics “Gleb Wataghin”, UNICAMP, 13083-970 Campinas, SP (Brazil); Reguera, E., E-mail: edilso.reguera@gmail.com [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico)

    2013-08-15

    This study sheds light on the intermolecular interactions between imidazole derive molecules (2-methyl-imidazole, 2-ethyl-imidazole and benzimidazole) intercalated in T[Ni(CN){sub 4}] layers to form a solid of formula unit T(ImD){sub 2}[Ni(CN){sub 4}]. These hybrid inorganic–organic solids were prepared by soft chemical routes and their crystal structures solved and refined from X-ray powder diffraction data. The involved imidazole derivative molecules were found coordinated through the pyridinic N atom to the axial positions for the metal T in the T[Ni(CN){sub 4}] layer. In the interlayers region ligand molecules from neighboring layers remain stacked in a face-to-face configuration through dipole–dipole and quadrupole–quadrupole interactions. These intermolecular interactions show a pronounced dependence on the substituent group and are responsible for an ImD-pillaring concatenation of adjacent layers. This is supported by the structural information and the recorded magnetic data in the 2–300 K temperature range. The samples containing Co and Ni are characterized by presence of spin–orbit coupling and pronounced temperature dependence for the effective magnetic moment except for 2-ethyl-imidazole related to the local distortion for the metal coordination environment. For this last one ligand a weak ferromagnetic ordering ascribed to a super-exchange interaction between T metals from neighboring layers through the ligands ?–? interaction was detected. - Graphical abstract: In the interlayers region imidazole derivative molecules are oriented according to their dipolar and quadrupolar interactions and minimizing the steric impediment. Highlights: • Imidazole derivatives intercalation compounds. • Intermolecular interaction between intercalated imidazole derivatives. • Hybrid inorganic–organic solids. • Pi–pi interactions and ferromagnetic coupling. • Dipolar and quadrupolar interactions between intercalated imidazole derivatives.

  1. Thermodynamic Interactions between Polystyrene and Long-Chain Poly(n-Alkyl Acrylates) Derived from Plant Oils.

    PubMed

    Wang, Shu; Robertson, Megan L

    2015-06-10

    Vegetable oils and their fatty acids are promising sources for the derivation of polymers. Long-chain poly(n-alkyl acrylates) and poly(n-alkyl methacrylates) are readily derived from fatty acids through conversion of the carboxylic acid end-group to an acrylate or methacrylate group. The resulting polymers contain long alkyl side-chains with around 10-22 carbon atoms. Regardless of the monomer source, the presence of alkyl side-chains in poly(n-alkyl acrylates) and poly(n-alkyl methacrylates) provides a convenient mechanism for tuning their physical properties. The development of structured multicomponent materials, including block copolymers and blends, containing poly(n-alkyl acrylates) and poly(n-alkyl methacrylates) requires knowledge of the thermodynamic interactions governing their self-assembly, typically described by the Flory-Huggins interaction parameter ?. We have investigated the ? parameter between polystyrene and long-chain poly(n-alkyl acrylate) homopolymers and copolymers: specifically we have included poly(stearyl acrylate), poly(lauryl acrylate), and their random copolymers. Lauryl and stearyl acrylate were chosen as model alkyl acrylates derived from vegetable oils and have alkyl side-chain lengths of 12 and 18 carbon atoms, respectively. Polystyrene is included in this study as a model petroleum-sourced polymer, which has wide applicability in commercially relevant multicomponent polymeric materials. Two independent methods were employed to measure the ? parameter: cloud point measurements on binary blends and characterization of the order-disorder transition of triblock copolymers, which were in relatively good agreement with one another. The ? parameter was found to be independent of the alkyl side-chain length (n) for large values of n (i.e., n > 10). This behavior is in stark contrast to the n-dependence of the ? parameter predicted from solubility parameter theory. Our study complements prior work investigating the interactions between polystyrene and short-chain polyacrylates (n ? 10). To our knowledge, this is the first study to explore the thermodynamic interactions between polystyrene and long-chain poly(n-alkyl acrylates) with n > 10. This work lays the groundwork for the development of multicomponent structured systems (i.e., blends and copolymers) in this class of sustainable materials. PMID:26020581

  2. Erosion relevant topographical parameters derived from different height models - a comparative study from the Indian Lesser Himalayas

    NASA Astrophysics Data System (ADS)

    Datta, Pawanjeet; Schack-Kirchner, Helmer; Maier, Martin

    2010-05-01

    Topography is a crucial surface characteristic in soil erosion modelling studies. Soil erosion models use a digital elevation model (DEM) to derive the topographical characteristics. In a majority of cases, it is incorporated as a given parameter and is not tested extensively in contrast to soil, land use and climate related parameters. However, the data accuracy in case of topographical parameters depends largely on the derivation method and the resolution of the DEM. This study compares erosion relevant parameters - elevation, slope, aspect and topographical LS-factor computed from three DEMs at original resolutions and a 20m interpolated resolution for a 13 km2 watershed located in the Indian Lesser Himalayas. The DEMs used were a digitized DEM generated from contour lines on a 1:50,000 topographical map, a SRTM DEM at 90m resolution and an ASTER DEM at 15m resolution. The DEM derived topographical parameters were compared with 152 field measurements from the catchment. Significant differences across the DEMs were observed for all the parameters. The high resolution ASTER DEM was observed to fail for the mountainous watershed. TOPO DEM which is, theoretically, more detailed showed similar behavior to the coarser SRTM DEM in its variability from the field measurements. Field control as well as mixed regression modeling show SRTM DEM to be the DEM of choice for the study area and it was found to be reliable at catchment scale but not at sub-watershed or hillslope scales. Keywords: soil erosion modelling, DEM, topographical parameters, Lesser Himalaya

  3. Determination of the parameters of a Skyrme type effective interaction using the simulated annealing approach

    Microsoft Academic Search

    B. K. Agrawal; S. Shlomo; V. Kim Au

    2005-01-01

    We implement for the first time the simulated annealing method to the problem of searching for the global minimum in the hypersurface of the ϲ function, which depends on the values of the parameters of a Skyrme-type effective nucleon-nucleon interaction. We undertake a realistic case of fitting the values of the Skyrme parameters to an extensive set of experimental data

  4. The Thirring interaction in the two-dimensional axial-current-pseudoscalar derivative coupling model

    SciTech Connect

    Belvedere, L.V. [Instituto de Fisica, Universidade Federal Fluminense, Av. Litoranea S/N, Boa Viagem, Niteroi, CEP 24210-340, Rio de Janeiro (Brazil)]. E-mail: belve@if.uff.br; Rodrigues, A.F. [Instituto de Fisica, Universidade Federal Fluminense, Av. Litoranea S/N, Boa Viagem, Niteroi, CEP 24210-340, Rio de Janeiro (Brazil)]. E-mail: armflavio@if.uff.br

    2006-12-15

    We reexamine the two-dimensional model of massive fermions interacting with a massless pseudoscalar field via axial-current derivative coupling. The hidden Thirring interaction in the axial-derivative coupling model is exhibited compactly by performing a canonical field transformation on the Bose field algebra and the model is mapped into the Thirring model with an additional vector-current-scalar derivative interaction (Schroer-Thirring model). The Fermi field operator is rewritten in terms of the Mandelstam soliton operator coupled to a free massless scalar field. The charge sectors of the axial-derivative model are mapped into the charge sectors of the massive Thirring model. The complete bosonized version of the model is presented. The bosonized composite operators of the quantum Hamiltonian are obtained as the leading operators in the Wilson short distance expansions.

  5. Spin and spin-isospin instabilities and Landau parameters of Skyrme interactions with tensor correlations

    Microsoft Academic Search

    Li-Gang Cao; Gianluca Colò; Hiroyuki Sagawa

    2010-01-01

    The Landau parameters of Skyrme interactions in the spin and spin-isospin channels are studied using various Skyrme effective interactions with and without tensor correlations. We focus on the role of the tensor terms on the spin and spin-isospin instabilities that can occur in nuclear matter above saturation density. We point out that these instabilities are realized in nuclear matter at

  6. Crystallization processes derived from the interaction of urine and dolostone

    NASA Astrophysics Data System (ADS)

    Cámara, Beatriz; Alvarez de Buergo, Monica; Fort, Rafael

    2015-04-01

    The increase in the number of pets (mostly dogs), homeless people and the more recent open-air drinking sessions organized by young people in historical centers of European cities, derive on the augmentation of urinations on stone façades of the built cultural heritage. Up to now this process has been considered only under an undesirable aesthetical point of view and the insalubrious conditions it creates, together with the cleaning costs that the local governments have to assume. This study aims to confirm urine as a real source of soluble salts that can trigger the decay of building materials, especially of those of built cultural heritage of the historical centers of the cities, which are suffering the new social scenario described above. For this purpose, an experimental setup was designed and performed in the laboratory to simulate this process. 5 cm side cubic specimens of dolostone were subjected to 100 testing cycles of urine absorption by capillarity. The necessary amount of urine was collected by donors and stored following clinical protocol conditions. Each cycle consisted of imbibitions of the specimens in 3 mm high urine sheet for 3 hours, drying at 40°C in an oven for 20 hours and 1 hour cooling in a dessicator. At the end of the 100 cycles, small pieces of the specimens were cut, observed and analyzed with the aid of an environmental scanning electron microscope, which presents the advantage of no sample preparation. The sampled pieces were selected considering there were different sections in height in the specimens: a) a bottom section that corresponds to the section that has been immersed in the urine solution (3 mm); b) an interface section, immediately above the immersed area, which is the area most affected by the urine capillarity process, characterized by a strong yellowish color; c) the section that we have named as section of influence, which is subjected to the capillary absorption, although not so strongly than the interface section (these 3 sections, a) b) c) represent the first one centimeter of the specimen from the bottom); d) and the fourth and top section, which shows no influence by the effect of urine capillary absorption. The obtained results showed, from bottom to top, the following crystallized salts: a) abundant prismatic crystals enriched in P and Ca (calcium phosphate); b) amorphous round-shaped potassium sulfate crystals and cubic sodium chloride crystals embedded in an organic matrix; d) cubic sodium chloride crystals are dominant. In the unaffected area, no other crystals were detected different from the carbonate minerals forming the rock. These results are in accordance to which has already been published by the authors in granitic materials (Cámara et al 2014). Acknowledgements: to Geomateriales 2 programme (S2013/MIT-2914) funded by the Community of Madrid. Cámara B., Alvarez de Buergo, M.; Fort, R.; Ascaso, C. de los Rios, A.; Gomez-Heras, M. 2014. Another source of soluble salts in urban environments due to recent social behaviour pattern in historical centres. In: Science, Technology and Cultural Heritage (edited by M.A. Rogerio-Candelera), 89-94. CRC Press-Balkema, Taylor and Francis. ISBN 9781138027442 - CAT# K25502

  7. Spin and spin-isospin instabilities and Landau parameters of Skyrme interactions with tensor correlations

    SciTech Connect

    Cao Ligang [Institute of Modern Physics, Chinese Academy of Science, Lanzhou 730000 (China); Center of Theoretical Nuclear Physics, National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou 730000 (China); Dipartimento di Fisica, Universita degli Studi di Milano, via Celoria 16, Milano (Italy); Istituto Nazionale di Fisica Nucleare (INFN), Sez. di Milano, via Celoria 16, Milano (Italy); Colo, Gianluca [Dipartimento di Fisica, Universita degli Studi di Milano, via Celoria 16, Milano (Italy); Istituto Nazionale di Fisica Nucleare (INFN), Sez. di Milano, via Celoria 16, Milano (Italy); Sagawa, Hiroyuki [Center for Mathematics and Physics, University of Aizu, Aizu-Wakamatsu, Fukushima 965-8560 (Japan)

    2010-04-15

    The Landau parameters of Skyrme interactions in the spin and spin-isospin channels are studied using various Skyrme effective interactions with and without tensor correlations. We focus on the role of the tensor terms on the spin and spin-isospin instabilities that can occur in nuclear matter above saturation density. We point out that these instabilities are realized in nuclear matter at the critical density of about two times the saturation density for all the adopted parameter sets. The critical density is shown to be very much dependent not only on the choice of the Skyrme parameter set, but also on the inclusion of the tensor terms.

  8. Estimating crop net primary production using inventory data and MODIS-derived parameters

    SciTech Connect

    Bandaru, Varaprasad; West, Tristram O.; Ricciuto, Daniel M.; Izaurralde, Roberto C.

    2013-06-03

    National estimates of spatially-resolved cropland net primary production (NPP) are needed for diagnostic and prognostic modeling of carbon sources, sinks, and net carbon flux. Cropland NPP estimates that correspond with existing cropland cover maps are needed to drive biogeochemical models at the local scale and over national and continental extents. Existing satellite-based NPP products tend to underestimate NPP on croplands. A new Agricultural Inventory-based Light Use Efficiency (AgI-LUE) framework was developed to estimate individual crop biophysical parameters for use in estimating crop-specific NPP. The method is documented here and evaluated for corn and soybean crops in Iowa and Illinois in years 2006 and 2007. The method includes a crop-specific enhanced vegetation index (EVI) from the Moderate Resolution Imaging Spectroradiometer (MODIS), shortwave radiation data estimated using Mountain Climate Simulator (MTCLIM) algorithm and crop-specific LUE per county. The combined aforementioned variables were used to generate spatially-resolved, crop-specific NPP that correspond to the Cropland Data Layer (CDL) land cover product. The modeling framework represented well the gradient of NPP across Iowa and Illinois, and also well represented the difference in NPP between years 2006 and 2007. Average corn and soybean NPP from AgI-LUE was 980 g C m-2 yr-1 and 420 g C m-2 yr-1, respectively. This was 2.4 and 1.1 times higher, respectively, for corn and soybean compared to the MOD17A3 NPP product. Estimated gross primary productivity (GPP) derived from AgI-LUE were in close agreement with eddy flux tower estimates. The combination of new inputs and improved datasets enabled the development of spatially explicit and reliable NPP estimates for individual crops over large regional extents.

  9. Parametric computation predicts a multiplicative interaction between synaptic strength parameters that control gamma oscillations

    PubMed Central

    Chambers, Jordan D.; Bethwaite, Blair; Diamond, Neil T.; Peachey, Tom; Abramson, David; Petrou, Steve; Thomas, Evan A.

    2012-01-01

    Gamma oscillations are thought to be critical for a number of behavioral functions, they occur in many regions of the brain and through a variety of mechanisms. Fast repetitive bursting (FRB) neurons in layer 2 of the cortex are able to drive gamma oscillations over long periods of time. Even though the oscillation is driven by FRB neurons, strong feedback within the rest of the cortex must modulate properties of the oscillation such as frequency and power. We used a highly detailed model of the cortex to determine how a cohort of 33 parameters controlling synaptic drive might modulate gamma oscillation properties. We were interested in determining not just the effects of parameters individually, but we also wanted to reveal interactions between parameters beyond additive effects. To prevent a combinatorial explosion in parameter combinations that might need to be simulated, we used a fractional factorial design (FFD) that estimated the effects of individual parameters and two parameter interactions. This experiment required only 4096 model runs. We found that the largest effects on both gamma power and frequency came from a complex interaction between efficacy of synaptic connections from layer 2 inhibitory neurons to layer 2 excitatory neurons and the parameter for the reciprocal connection. As well as the effect of the individual parameters determining synaptic efficacy, there was an interaction between these parameters beyond the additive effects of the parameters alone. The magnitude of this effect was similar to that of the individual parameters, predicting that it is physiologically important in setting gamma oscillation properties. PMID:22837747

  10. Seven-year Wilkinson Microwave Anisotropy Probe (WMAP) Observations: Power Spectra and WMAP-derived Parameters

    NASA Astrophysics Data System (ADS)

    Larson, D.; Dunkley, J.; Hinshaw, G.; Komatsu, E.; Nolta, M. R.; Bennett, C. L.; Gold, B.; Halpern, M.; Hill, R. S.; Jarosik, N.; Kogut, A.; Limon, M.; Meyer, S. S.; Odegard, N.; Page, L.; Smith, K. M.; Spergel, D. N.; Tucker, G. S.; Weiland, J. L.; Wollack, E.; Wright, E. L.

    2011-02-01

    The WMAP mission has produced sky maps from seven years of observations at L2. We present the angular power spectra derived from the seven-year maps and discuss the cosmological conclusions that can be inferred from WMAP data alone. With the seven-year data, the temperature (TT) spectrum measurement has a signal-to-noise ratio per multipole that exceeds unity for l < 919; and in band powers of width ?l = 10, the signal-to-noise ratio exceeds unity up to l = 1060. The third acoustic peak in the TT spectrum is now well measured by WMAP. In the context of a flat ?CDM model, this improvement allows us to place tighter constraints on the matter density from WMAP data alone, ? m h 2 = 0.1334+0.0056 -0.0055, and on the epoch of matter-radiation equality, z eq = 3196+134 -133. The temperature-polarization (TE) spectrum is detected in the seven-year data with a significance of 20?, compared to 13? with the five-year data. We now detect the second dip in the TE spectrum near l ~ 450 with high confidence. The TB and EB spectra remain consistent with zero, thus demonstrating low systematic errors and foreground residuals in the data. The low-l EE spectrum, a measure of the optical depth due to reionization, is detected at 5.5? significance when averaged over l = 2-7: l(l + 1)C EE l /(2?) = 0.074+0.034 -0.025 ?K2 (68% CL). We now detect the high-l, 24 <= l <= 800, EE spectrum at over 8?. The BB spectrum, an important probe of gravitational waves from inflation, remains consistent with zero; when averaged over l = 2-7, l(l + 1)C BB l /(2?) < 0.055 ?K2 (95% CL). The upper limit on tensor modes from polarization data alone is a factor of two lower with the seven-year data than it was using the five-year data. The data remain consistent with the simple ?CDM model: the best-fit TT spectrum has an effective ?2 of 1227 for 1170 degrees of freedom, with a probability to exceed of 9.6%. The allowable volume in the six-dimensional space of ?CDM parameters has been reduced by a factor of 1.5 relative to the five-year volume, while the ?CDM model that allows for tensor modes and a running scalar spectral index has a factor of three lower volume when fit to the seven-year data. We test the parameter recovery process for bias and find that the scalar spectral index, ns , is biased high, but only by 0.09?, while the remaining parameters are biased by <0.15?. The improvement in the third peak measurement leads to tighter lower limits from WMAP on the number of relativistic degrees of freedom (e.g., neutrinos) in the early universe: N eff>2.7(95%CL). Also, using WMAP data alone, the primordial helium mass fraction is found to be Y He = 0.28+0.14 -0.15, and with data from higher-resolution cosmic microwave background experiments included, we now establish the existence of pre-stellar helium at >3?. These new WMAP measurements provide important tests of big bang cosmology. WMAP is the result of a partnership between Princeton University and NASA's Goddard Space Flight Center. Scientific guidance is provided by the WMAP Science Team.

  11. SEVEN-YEAR WILKINSON MICROWAVE ANISOTROPY PROBE (WMAP ) OBSERVATIONS: POWER SPECTRA AND WMAP-DERIVED PARAMETERS

    SciTech Connect

    Larson, D.; Bennett, C. L.; Gold, B. [Department of Physics and Astronomy, Johns Hopkins University, 3400 N. Charles Street, Baltimore, MD 21218-2686 (United States); Dunkley, J. [Astrophysics, University of Oxford, Keble Road, Oxford, OX1 3RH (United Kingdom); Hinshaw, G.; Kogut, A.; Wollack, E. [Code 665, NASA/Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Komatsu, E. [Department of Astronomy, University of Texas, Austin, 2511 Speedway, RLM 15.306, Austin, TX 78712 (United States); Nolta, M. R. [Canadian Institute for Theoretical Astrophysics, 60 St. George Street, University of Toronto, Toronto, ON M5S 3H8 (Canada); Halpern, M. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC V6T 1Z1 (Canada); Hill, R. S.; Odegard, N.; Weiland, J. L. [ADNET Systems, Inc., 7515 Mission Dr., Suite A100 Lanham, MD 20706 (United States); Jarosik, N.; Page, L. [Department of Physics, Jadwin Hall, Princeton University, Princeton, NJ 08544-0708 (United States); Limon, M. [Columbia Astrophysics Laboratory, 550 W. 120th St., Mail Code 5247, New York, NY 10027-6902 (United States); Meyer, S. S. [Departments of Astrophysics and Physics, KICP and EFI, University of Chicago, Chicago, IL 60637 (United States); Smith, K. M.; Spergel, D. N. [Department of Astrophysical Sciences, Peyton Hall, Princeton University, Princeton, NJ 08544-1001 (United States); Tucker, G. S., E-mail: dlarson@pha.jhu.edu [Department of Physics, Brown University, 182 Hope St., Providence, RI 02912-1843 (United States)

    2011-02-01

    The WMAP mission has produced sky maps from seven years of observations at L2. We present the angular power spectra derived from the seven-year maps and discuss the cosmological conclusions that can be inferred from WMAP data alone. With the seven-year data, the temperature (TT) spectrum measurement has a signal-to-noise ratio per multipole that exceeds unity for l < 919; and in band powers of width {Delta}l = 10, the signal-to-noise ratio exceeds unity up to l = 1060. The third acoustic peak in the TT spectrum is now well measured by WMAP. In the context of a flat {Lambda}CDM model, this improvement allows us to place tighter constraints on the matter density from WMAP data alone, {Omega}{sub m} h {sup 2} = 0.1334{sup +0.0056}{sub -0.0055}, and on the epoch of matter-radiation equality, z{sub eq} = 3196{sup +134}{sub -133}. The temperature-polarization (TE) spectrum is detected in the seven-year data with a significance of 20{sigma}, compared to 13{sigma} with the five-year data. We now detect the second dip in the TE spectrum near l {approx} 450 with high confidence. The TB and EB spectra remain consistent with zero, thus demonstrating low systematic errors and foreground residuals in the data. The low-l EE spectrum, a measure of the optical depth due to reionization, is detected at 5.5{sigma} significance when averaged over l = 2-7: l(l + 1)C {sup EE}{sub l}/(2{pi}) = 0.074{sup +0.034}{sub -0.025} {mu}K{sup 2} (68% CL). We now detect the high-l, 24 {<=} l {<=} 800, EE spectrum at over 8{sigma}. The BB spectrum, an important probe of gravitational waves from inflation, remains consistent with zero; when averaged over l = 2-7, l(l + 1)C {sup BB}{sub l}/(2{pi}) < 0.055 {mu}K{sup 2} (95% CL). The upper limit on tensor modes from polarization data alone is a factor of two lower with the seven-year data than it was using the five-year data. The data remain consistent with the simple {Lambda}CDM model: the best-fit TT spectrum has an effective {chi}{sup 2} of 1227 for 1170 degrees of freedom, with a probability to exceed of 9.6%. The allowable volume in the six-dimensional space of {Lambda}CDM parameters has been reduced by a factor of 1.5 relative to the five-year volume, while the {Lambda}CDM model that allows for tensor modes and a running scalar spectral index has a factor of three lower volume when fit to the seven-year data. We test the parameter recovery process for bias and find that the scalar spectral index, n{sub s} , is biased high, but only by 0.09{sigma}, while the remaining parameters are biased by <0.15{sigma}. The improvement in the third peak measurement leads to tighter lower limits from WMAP on the number of relativistic degrees of freedom (e.g., neutrinos) in the early universe: N{sub eff}>2.7(95%CL). Also, using WMAP data alone, the primordial helium mass fraction is found to be Y{sub He} = 0.28{sup +0.14}{sub -0.15}, and with data from higher-resolution cosmic microwave background experiments included, we now establish the existence of pre-stellar helium at >3{sigma}. These new WMAP measurements provide important tests of big bang cosmology.

  12. Cosmic confusion: degeneracies among cosmological parameters derived from measurements of microwave background anisotropies

    Microsoft Academic Search

    G. Efstathiou; J. R. Bond

    1999-01-01

    In the near future, observations of the cosmic microwave background (CMB) anisotropies will provide accurate determinations of many fundamental cosmological parameters. In this paper, we analyse degeneracies among cosmological parameters to illustrate some of the limitations inherent in CMB parameter estimation. For simplicity, throughout our analysis we assume a cold dark matter universe with power-law adiabatic scalar and tensor fluctuation

  13. Interaction of CAP18-derived peptides with membranes made from endotoxins or phospholipids.

    PubMed Central

    Gutsmann, T; Hagge, S O; Larrick, J W; Seydel, U; Wiese, A

    2001-01-01

    Antimicrobial peptides with alpha-helical structures and positive net charges are in the focus of interest with regard to the development of new antibiotic agents, in particular against Gram-negative bacteria. Interaction between seven polycationic alpha-helical CAP18-derived peptides and different types of artificial membranes composed of phosphatidylcholine or lipopolysaccharide of the Gram-negative bacterium Escherichia coli were investigated using different biophysical techniques. Results obtained from fluorescence energy transfer spectroscopy with liposomes, monolayer measurements on a Langmuir trough, and electrophysiological measurements on planar reconstituted asymmetric bilayer membranes including the lipid matrix of the outer membrane of E. coli were correlated, and these data were, furthermore, correlated with structural parameters of the peptides (net charge, alpha-helical content, hydrophobic moment, and hydrophobicity). All peptides induced current fluctuations in planar membranes due to the formation of transient lesions above a peptide- and lipid-specific minimal clamp voltage. Antibacterial activity was exhibited only by those peptides that induced lesion formation in the reconstituted outer membrane at clamp voltages below the transmembrane potential of the natural membrane. Thus, we propose that the physicochemical properties of both the peptides as well as of the target membranes are important for antibacterial activity. PMID:11371466

  14. Diurnal Variability of Regional Cloud and Clear-Sky Radiative Parameters Derived from GOES Data. Part I: Analysis Method

    Microsoft Academic Search

    Patrick Minnis; Edwin F. Harrison

    1984-01-01

    A hybrid bispectral threshold method (HBTM) is developed for hourly regional cloud and radiative parameters from geostationary satellite visible and infrared radiance data. The quantities derived with the HBTM include equivalent blackbody temperatures for clear skies, for the total cloud cover and for the cloud cover at three levels in the atmosphere; the total fractional cloud cover and the fractional

  15. Study of variation of the Laplacian parameter of DGD time derivative with fiber length using measured DGD data

    E-print Network

    Kansas, University of

    Study of variation of the Laplacian parameter of DGD time derivative with fiber length using observed that the DGD variation with time becomes more rapid for longer length fibers. The DGD time to converge to a lower value as the fiber length is increased. This observation, which needs further

  16. Derivation of site-specific relationships between hydraulic parameters and p-wave velocities based on hydraulic and seismic tomography

    SciTech Connect

    Brauchler, R.; Doetsch, J.; Dietrich, P.; Sauter, M.

    2012-01-10

    In this study, hydraulic and seismic tomographic measurements were used to derive a site-specific relationship between the geophysical parameter p-wave velocity and the hydraulic parameters, diffusivity and specific storage. Our field study includes diffusivity tomograms derived from hydraulic travel time tomography, specific storage tomograms, derived from hydraulic attenuation tomography, and p-wave velocity tomograms, derived from seismic tomography. The tomographic inversion was performed in all three cases with the SIRT (Simultaneous Iterative Reconstruction Technique) algorithm, using a ray tracing technique with curved trajectories. The experimental set-up was designed such that the p-wave velocity tomogram overlaps the hydraulic tomograms by half. The experiments were performed at a wellcharacterized sand and gravel aquifer, located in the Leine River valley near Göttingen, Germany. Access to the shallow subsurface was provided by direct-push technology. The high spatial resolution of hydraulic and seismic tomography was exploited to derive representative site-specific relationships between the hydraulic and geophysical parameters, based on the area where geophysical and hydraulic tests were performed. The transformation of the p-wave velocities into hydraulic properties was undertaken using a k-means cluster analysis. Results demonstrate that the combination of hydraulic and geophysical tomographic data is a promising approach to improve hydrogeophysical site characterization.

  17. Molecular interactions between DPPC and morphine derivatives: a DSC and EPR study.

    PubMed

    Budai, M; Szabó, Zs; Szogyi, M; Gróf, Pál

    2003-01-01

    The interaction between different morphine derivatives (morphine, codeine, N-methyl-morphine, N-methyl-codeine) and alpha-L-dipalmitoyl phosphatidylcholine (DPPC) liposomes was studied with differential scanning calorimetry (DSC) and electron paramagnetic resonance (EPR) spectroscopy. Small unilamellar DPPC-liposomes with the given morphine-derivative were prepared by sonication. The size distribution of liposomes was checked by dynamic light scattering (DLS). The amount of entrapped morphine was determined spectrophotometrically. Our results indicate that the morphine and its derivatives principally interact with the lipid head groups, and this interaction leads to a decrease in the mobility of the polar head groups, especially in case of codeine and N-methyl-codeine. PMID:12480289

  18. Azimuthal angle dependence of the Coulomb barrier parameters for the interaction between two deformed nuclei

    SciTech Connect

    Ismail, M.; Adel, A. [Physics Department, Faculty of Science, Cairo University, Giza (Egypt)

    2011-09-15

    The azimuthal angle ({phi}) dependence of the Coulomb barrier parameters (height V{sub b} and position R{sub b}) are studied in the framework of the double-folding model with the realistic M3Y nucleon-nucleon interaction. Different pairs of axially symmetric, deformed nuclei are considered. For the interaction between medium and heavy nuclei, the maximum percentage of {phi} dependence is studied as a function of relative orientations of the interacting nuclei. It appreciably increases as the values of the deformation parameters increase and is sensitive to the hexadecapole deformation. The smallest {phi} variation is found for the relative orientations {theta}{sub P}={theta}{sub T}=90 deg. The {phi} variation of the Coulomb barrier parameters, as calculated in the present paper, is completely different in both magnitude and behavior from those deduced in the widely used proximity approach.

  19. Vaccinia virus p37 interacts with host proteins associated with LE-derived transport vesicle biogenesis

    Microsoft Academic Search

    Yali Chen; Kady M Honeychurch; Guang Yang; Chelsea M Byrd; Chris Harver; Dennis E Hruby; Robert Jordan

    2009-01-01

    BACKGROUND: Proteins associated with the late endosome (LE) appear to play a central role in the envelopment of a number of taxonomically diverse viruses. How viral proteins interact with LE-associated proteins to facilitate envelopment is not well understood. LE-derived transport vesicles form through the interaction of Rab9 GTPase with cargo proteins, and TIP47, a Rab9-specific effector protein. Vaccinia virus (VV)

  20. Characterization of calcium, phosphate and peroxide interactions in activation of mitochondrial swelling using derivative of the swelling curves.

    PubMed

    Drahota, Zden?k; Endlicher, René; Sta?ková, Pavla; Rychtrmoc, David; Milerová, Marie; Cervinková, Zuzana

    2012-06-01

    We describe a new method for the analysis of mitochondrial swelling curves. Using classical swelling curves, only the maximum extent of the swelling can be calculated in a numerical form. However, taking the derivative of the classical swelling curves enables the evaluation of two additional parameters of the swelling process in a numerical form, namely, the maximum swelling rate after the addition of the swelling inducer (as dA???/10 s) and the time (in sec) at which the maximum swelling rate after the addition of the swelling inducer is obtained. The use of these three parameters enables the better characterization of the swelling process as demonstrated by the evaluation of calcium and phosphate interactions in the opening of the mitochondrial permeability transition pore and by the characterization of the peroxide potentiating action. PMID:22562401

  1. Study of interaction between human serum albumin and three phenanthridine derivatives: Fluorescence spectroscopy and computational approach

    NASA Astrophysics Data System (ADS)

    Liu, Jianming; Yue, Yuanyuan; Wang, Jing; Yan, Xuyang; Liu, Ren; Sun, Yangyang; Li, Xiaoge

    2015-06-01

    Over the past decades, phenanthridine derivatives have captured the imagination of many chemists due to their wide applications. In the present work, the interaction between phenanthridine derivatives benzo [4,5]imidazo[1,2-a]thieno[2,3-c]quinoline (BTQ), benzo[4,5]imidazo[1,2-a]furo[2,3-c]quinoline (BFQ), 5,6-dimethylbenzo[4,5]imidazo[1,2-a]furo[2,3-c]quinoline (DFQ) and human serum albumin (HSA) were investigated by molecular modeling techniques and spectroscopic methods. The results of molecular modeling simulations revealed that the phenanthridine derivatives could bind on both site I in HSA. Fluorescence data revealed that the fluorescence quenching of HSA by phenanthridine derivatives were the result of the formation of phenanthridine derivatives-HSA complex, and the binding intensity between three phenanthridine derivatives and HSA was BTQ > BFQ > DFQ. Thermodynamics confirmed that the interaction were entropy driven with predominantly hydrophobic forces. The effects of some biological metal ions and toxic ions on the binding affinity between phenanthridine derivatives and HSA were further examined.

  2. Determination of the parameters of a Skyrme type effective interaction using the simulated annealing approach

    Microsoft Academic Search

    B. K. Agrawal; S. Shlomo; V. Kim Au

    2005-01-01

    We implement for the first time the simulated annealing method to the problem of searching for the global minimum in the hypersurface of the chi2 function, which depends on the values of the parameters of a Skyrme-type effective nucleon-nucleon interaction. We undertake a realistic case of fitting the values of the Skyrme parameters to an extensive set of experimental data

  3. Kinetic Theory of Turbulence Modeling: Smallness Parameter, Scaling and Microscopic Derivation of Smagorinsky Model

    E-print Network

    Santosh Ansumali; Iliya V. Karlin; Sauro Succi

    2004-02-06

    A mean-field approach (filtering out subgrid scales) is applied to the Boltzmann equation in order to derive a subgrid turbulence model based on kinetic theory. It is demonstrated that the only Smagorinsky type model which survives in the hydrodynamic limit on the viscosity time scale is the so-called tensor-diffusivity model. Scaling of the filter-width with Reynolds number and Knudsen number is established. This sets the first rigorous step in deriving turbulence models from kinetic theory.

  4. Derivation of a proximity interaction between nuclei from the Hartree-Fock functional with Skyrme interactions

    Microsoft Academic Search

    K. Pomorski; K. Dietrich

    1980-01-01

    The potential between heavy or medium heavy spherical nuclei is derived on the basis of the proximity approximation and the assumption of undisturbed spherical density distributions. The HF-theory with Skyrme forces is used to write the energy as a functional of the density. The resulting potential consists of an isoscalar and a (much smaller) isospin-dependent part. Depending on the choice

  5. The two-parameter Poisson-Dirichlet distribution derived from a stable subordinator

    Microsoft Academic Search

    Jim Pitman; Marc Yor

    1997-01-01

    The two-parameter Poisson-Dirichlet distribution, denoted\\u000a$\\\\mathsf{PD}(\\\\alpha, \\\\theta)$ is a probability distribution on the set of\\u000adecreasing positive sequences with sum 1. The usual Poisson-Dirichlet\\u000adistribution with a single parameter $\\\\theta$, introduced by Kingman, is\\u000a$\\\\mathsf{PD}(0, \\\\theta)$. Known properties of $\\\\mathsf{PD}(0, \\\\theta)$,\\u000aincluding the Markov chain description due to Vershik, Shmidt and Ignatov, are\\u000ageneralized to the two-parameter case. The size-biased

  6. Emergent Learning and Interactive Media Artworks: Parameters of Interaction for Novice Groups

    ERIC Educational Resources Information Center

    Kawka, Marta; Larkin, Kevin; Danaher, P. A.

    2011-01-01

    Emergent learning describes learning that occurs when participants interact and distribute knowledge, where learning is self-directed, and where the learning destination of the participants is largely unpredictable (Williams, Karousou, & Mackness, 2011). These notions of learning arise from the topologies of social networks and can be applied to…

  7. Derivation of the Configuration Interaction Singles (CIS) Method for Various Single Determinant References and

    E-print Network

    Sherrill, David

    Derivation of the Configuration Interaction Singles (CIS) Method for Various Single Determinant Slater determinant (or configuration state function, CSF) which describes the electronic state of interest. |a i is the determinant formed by replacing spin-orbital i in |0 with spin orbital a, etc

  8. Physicochemical study on interactions between T-2 and HT-2 toxin derivatives and cyclodextrins

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Physicochemical interactions occurring between fluorescent anthracene derivatives of T-2 and HT-2 toxins and different cyclodextrins (CDs) were investigated in aqueous solutions by means of UV-Vis absorption, fluorescence emission, and Dynamic Light Scattering. Binding constant values and physicoche...

  9. Parameter estimation in stochastic chemical kinetic models using derivative free optimization and bootstrapping

    PubMed Central

    Srivastava, Rishi; Rawlings, James B.

    2014-01-01

    Recent years have seen increasing popularity of stochastic chemical kinetic models due to their ability to explain and model several critical biological phenomena. Several developments in high resolution fluorescence microscopy have enabled researchers to obtain protein and mRNA data on the single cell level. The availability of these data along with the knowledge that the system is governed by a stochastic chemical kinetic model leads to the problem of parameter estimation. This paper develops a new method of parameter estimation for stochastic chemical kinetic models. There are three components of the new method. First, we propose a new expression for likelihood of the experimental data. Second, we use sample path optimization along with UOBYQA-Fit, a variant of of Powell’s unconstrained optimization by quadratic approximation, for optimization. Third, we use a variant of Efron’s percentile bootstrapping method to estimate the confidence regions for the parameter estimates. We apply the parameter estimation method in an RNA dynamics model of E. coli. We test the parameter estimates obtained and the confidence regions in this model. The testing of the parameter estimation method demonstrates the efficiency, reliability, and accuracy of the new method. PMID:24920866

  10. Strong Ligand-Protein Interactions Derived from Diffuse Ligand Interactions with Loose Binding Sites

    PubMed Central

    2015-01-01

    Many systems in biology rely on binding of ligands to target proteins in a single high-affinity conformation with a favorable ?G. Alternatively, interactions of ligands with protein regions that allow diffuse binding, distributed over multiple sites and conformations, can exhibit favorable ?G because of their higher entropy. Diffuse binding may be biologically important for multidrug transporters and carrier proteins. A fine-grained computational method for numerical integration of total binding ?G arising from diffuse regional interaction of a ligand in multiple conformations using a Markov Chain Monte Carlo (MCMC) approach is presented. This method yields a metric that quantifies the influence on overall ligand affinity of ligand binding to multiple, distinct sites within a protein binding region. This metric is essentially a measure of dispersion in equilibrium ligand binding and depends on both the number of potential sites of interaction and the distribution of their individual predicted affinities. Analysis of test cases indicates that, for some ligand/protein pairs involving transporters and carrier proteins, diffuse binding contributes greatly to total affinity, whereas in other cases the influence is modest. This approach may be useful for studying situations where “nonspecific” interactions contribute to biological function.

  11. IEEE TVCG SUBMISSION DRAFT 1 ParaGlide: Interactive Parameter Space

    E-print Network

    Möller, Torsten

    of the system. Consider, for instance, modeling the aggregation behavior of animals such as flocks of birdsGlide, a visualization system designed for interactive exploration of parameter spaces of multi-dimensional simulation developed ParaGlide in close collaboration with experts from three different domains, who all were involved

  12. Compost mixture influence of interactive physical parameters on microbial kinetics and substrate fractionation

    E-print Network

    Paris-Sud XI, Université de

    Compost mixture influence of interactive physical parameters on microbial kinetics and substrate 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Composting is a feasible by selecting an initial compost recipe with physical properties that enhance microbial activity. The present

  13. Interactive fuzzy programming for multi-level linear programming problems with fuzzy parameters

    Microsoft Academic Search

    Masatoshi Sakawa; Ichiro Nishizaki; Yoshio Uemura

    2000-01-01

    This paper presents interactive fuzzy programming for multi-level linear programming problems with fuzzy parameters. In fuzzy programming for multi-level linear programming problems, recently developed by Lai et al., since the fuzzy goals are determined for both an objective function and decision variables at the upper level, undesirable solutions are produced when these fuzzy goals are inconsistent. In order to overcome

  14. DATA BASE ANALYZER AND PARAMETER ESTIMATOR (DBAPE) INTERACTIVE COMPUTER PROGRAM--USER'S MANUAL

    EPA Science Inventory

    The Data Base Analyzer and Parameter Estizator (DBAPE) is an interactive computer progran that provides a link between two of EPA's development products--an environmental model and a data base. BAPE was created to encourage and support the use of the RUSTIC model, a newly develop...

  15. Signal Intensities Derived from Different NMR Probes and Parameters Contribute to Variations in Quantification of Metabolites

    PubMed Central

    Finkel, Michael; Karnovsky, Alla; Woehler, Scott; Lewis, Michael J.; Chang, David; Stringer, Kathleen A.

    2014-01-01

    We discovered that serious issues could arise that may complicate interpretation of metabolomic data when identical samples are analyzed at more than one NMR facility, or using slightly different NMR parameters on the same instrument. This is important because cross-center validation metabolomics studies are essential for the reliable application of metabolomics to clinical biomarker discovery. To test the reproducibility of quantified metabolite data at multiple sites, technical replicates of urine samples were assayed by 1D-1H-NMR at the University of Alberta and the University of Michigan. Urine samples were obtained from healthy controls under a standard operating procedure for collection and processing. Subsequent analysis using standard statistical techniques revealed that quantitative data across sites can be achieved, but also that previously unrecognized NMR parameter differences can dramatically and widely perturb results. We present here a confirmed validation of NMR analysis at two sites, and report the range and magnitude that common NMR parameters involved in solvent suppression can have on quantitated metabolomics data. Specifically, saturation power levels greatly influenced peak height intensities in a frequency-dependent manner for a number of metabolites, which markedly impacted the quantification of metabolites. We also investigated other NMR parameters to determine their effects on further quantitative accuracy and precision. Collectively, these findings highlight the importance of and need for consistent use of NMR parameter settings within and across centers in order to generate reliable, reproducible quantified NMR metabolomics data. PMID:24465670

  16. The importance of improved collision cross sections in deriving interstellar cloud parameters from rotational line spectra

    Microsoft Academic Search

    J. E. Beckman

    1982-01-01

    It is shown how present uncertainties in the ability to compute collisional cross sections for rotational transitions can lead to order of magnitude errors in the interpretation of the observed antenna temperatures for rotational emission lines from interstellar clouds. The framework within which improved cross sections can be derived is described, and progress is reported in the aim of reducing

  17. ANN-Based Optical Performance Monitoring of QPSK Signals Using Parameters Derived From Balanced-Detected Asynchronous Diagrams

    Microsoft Academic Search

    Xiaoxia Wu; Jeffrey A. Jargon; Loukas Paraschis; Alan E. Willner

    2011-01-01

    We demonstrate a technique of using artificial neural networks trained with parameters derived from asynchronous di- agrams for optical performance monitoring of quadrature phase- shift-keying (QPSK) data signals. We show that asynchronous di- agrams generated from balanced detection give superior results compared to single-ended detection in a 100 Gb\\/s QPSK system. Experimental demonstration verifies the effectiveness of the pro- posed

  18. Altitudinal spread of area and area changes: a case study for deriving new parameters for monitoring Alpine glaciers

    NASA Astrophysics Data System (ADS)

    Fischer, Andrea

    2015-04-01

    A time series of four glacier inventories for the Austrian Alps between the little ice age maximum and today reveals shifts in the altitudinal range of the maximum glacier-covered area and in the altitudes where the greatest changes in size of the area took place. These shifts are the result of the specific mass balance, the ice thickness distribution, but also of changes in ice dynamics and have already been subject to studies within the last two centuries. The time series of inventories now allows i) a derivation of these parameters for all glaciers in the Austrian Alps and ii) a comparison of these topographic parameters with records of directly measured ELAs and ice flow velocities. For the Austrian Alps, the altitudinal zone with the maximum ice cover shifted from 2950 m in 1969 to 2925 m in 1998 and 3025 m in 2006. The maximum area changes took place at elevations of 2675 m (2006 to 1998) and 2850 m (1998 to 1969). Thorough empirical investigation and theoretical foundation are needed to show if these area shifts can be related to shifts of the ELA and responses of the ice flow velocity or not. As a first step, the suggested potential parameters are investigated for the glaciers and periods where direct mass balance data are available. The mean ELAs for the above named periods for the seven mass balance glaciers shifted by 112 m from 2945 m (1971-1980) to 3057 m (1981-2000), and by 23 m to 3079 m (2001-2010). From the comparison of geodetic and direct mass balance, the elevation of zero altitudinal change can be derived and compared to the ELA. Like the ELA, all topographically derived parameters are governed not only by climate, but also by the individual topographic properties of specific glaciers. Thus further investigations of a larger sample of mass balance glaciers are needed to find out if these parameters are suitable for automatic glacier monitoring.

  19. Derivate

    NSDL National Science Digital Library

    2011-03-16

    In this activity, students input functions in order to calculate the derivative and tangent line of that function. This activity allows students to explore tangent lines of various functions. This activity includes supplemental materials, including background information about the topics covered, a description of how to use the application, and exploration questions for use with the java applet.

  20. Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations

    PubMed Central

    2012-01-01

    Implicit solvation is a mean force approach to model solvent forces acting on a solute molecule. It is frequently used in molecular simulations to reduce the computational cost of solvent treatment. In the first instance, the free energy of solvation and the associated solvent–solute forces can be approximated by a function of the solvent-accessible surface area (SASA) of the solute and differentiated by an atom–specific solvation parameter ?iSASA. A procedure for the determination of values for the ?iSASA parameters through matching of explicit and implicit solvation forces is proposed. Using the results of Molecular Dynamics simulations of 188 topologically diverse protein structures in water and in implicit solvent, values for the ?iSASA parameters for atom types i of the standard amino acids in the GROMOS force field have been determined. A simplified representation based on groups of atom types ?gSASA was obtained via partitioning of the atom–type ?iSASA distributions by dynamic programming. Three groups of atom types with well separated parameter ranges were obtained, and their performance in implicit versus explicit simulations was assessed. The solvent forces are available at http://mathbio.nimr.mrc.ac.uk/wiki/Solvent_Forces. PMID:23180979

  1. Deriving parameters of a fundamental detachment model for cohesive soils from flume and jet erosion tests

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The erosion rate of cohesive soils is commonly quantified using the excess shear stress equation, dependent on two major soil parameters: the critical shear stress and the erodibility coefficient. A submerged jet test (JET – Jet Erosion Test) is one method that has been developed for measuring thes...

  2. Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations.

    PubMed

    Kleinjung, Jens; Scott, Walter R P; Allison, Jane R; van Gunsteren, Wilfred F; Fraternali, Franca

    2012-07-10

    Implicit solvation is a mean force approach to model solvent forces acting on a solute molecule. It is frequently used in molecular simulations to reduce the computational cost of solvent treatment. In the first instance, the free energy of solvation and the associated solvent-solute forces can be approximated by a function of the solvent-accessible surface area (SASA) of the solute and differentiated by an atom-specific solvation parameter ?(i) (SASA). A procedure for the determination of values for the ?(i) (SASA) parameters through matching of explicit and implicit solvation forces is proposed. Using the results of Molecular Dynamics simulations of 188 topologically diverse protein structures in water and in implicit solvent, values for the ?(i) (SASA) parameters for atom types i of the standard amino acids in the GROMOS force field have been determined. A simplified representation based on groups of atom types ?(g) (SASA) was obtained via partitioning of the atom-type ?(i) (SASA) distributions by dynamic programming. Three groups of atom types with well separated parameter ranges were obtained, and their performance in implicit versus explicit simulations was assessed. The solvent forces are available at http://mathbio.nimr.mrc.ac.uk/wiki/Solvent_Forces. PMID:23180979

  3. Temperature evaluation of traveling-wave ultrasonic motor considering interaction between temperature rise and motor parameters.

    PubMed

    Li, Shiyang; Ou, Wenchu; Yang, Ming; Guo, Chao; Lu, Cunyue; Hu, Junhui

    2015-03-01

    In this paper, a novel model for evaluating the temperature of traveling-wave ultrasonic motor (TWUSM) is developed. The proposed model, where the interaction between the temperature rise and motor parameters is considered, differs from the previous reported models with constant parameters. In this model, losses and temperature rises of the motor were evaluated based on the temperature-related varying parameters: the feedback voltage Vaux of the stator, dielectric permittivity ? and dielectric loss factor tan?. At each new temperature, Vaux, ? and tan? were updated. The feasibility and effectiveness of this proposed model was verified by comparing the predicted temperatures with the measured one. The effects of driving voltage, driving frequency and ambient temperature on the predicted temperature were also analyzed. The results show that the proposed model has more accurate predicted temperature than that with constant parameters. This will be very useful for the optimal design, reducing the heat loss, improvement of control and reliability life of TWUSM. PMID:25481041

  4. Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions

    PubMed Central

    2012-01-01

    Background Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Results Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. Conclusions The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions. PMID:23151272

  5. Pulse-to-pulse interaction analysis and parameter optimization for future-generation ophthalmic laser systems

    NASA Astrophysics Data System (ADS)

    Tinne, N.; Kaune, B.; Bleeker, S.; Lubatschowski, H.; Krüger, A.; Ripken, T.

    2014-02-01

    The immediate pulse-to-pulse interaction becomes more and more important for future-generation high-repetition rate ophthalmic laser systems. Therefore, we investigated the interaction of two laser pulses with different spatial and temporal separation by time-resolved photography. There are various different characteristic interaction mechanisms which are divided into 11 interaction scenarios. Furthermore, the parameter range has been constricted regarding the medical application; here, the efficiency was optimized to a maximum jet velocity along the scanning axis with minimum applied pulse energy as well as unwanted side effects at the same time. In conclusion, these results are of great interest for the prospective optimization of the ophthalmic surgical process with future-generation fs-lasers.

  6. Derivation of effective hydraulic parameters of a Karst Aquifer from discharge hydrograph analysis

    NASA Astrophysics Data System (ADS)

    Baedke, S. J.; Krothe, N. C.

    2001-01-01

    In well-developed karst terrains, three or more distinct portions of the karst continuum can be identified from hydrographs of springs issuing from the karst aquifer. Hydrographs from two karst springs within the same drainage basin at the Crane Naval Surface Warfare Center, Indiana, have been analyzed, and ratios of transmissivity and specific yield (T/Sy) have been established for the conduit and diffuse flow systems. These ratios have been compared with values of T derived from aquifer tests, so that independent values of Sy can be calculated for the diffuse system. Similarly, if the value of Sy is assumed to be 1.0 for a pure conduit, then independent values of T can be calculated for this end-member of the karst continuum. The values of T and Sy derived from this study are similar to values obtained from a dye trace of the conduit-dominated flow system and of values derived from aquifer tests of the diffuse flow system. Values of T for the conduit system of these springs may need to be established at a local scale, while the values for the diffuse flow system may be applicable at a regional scale. A hydrograph separation using isotopic data suggests that the intermediate-flow system represents a mix of water from the conduit and diffuse flow systems. If this portion of the hydrograph is a truly mixing phenomena, ratios of T/Sy cannot be determined from the hydrograph analysis presented herein. However, if instead, the intermediate-flow system represents water released from a third reservoir (such as small fractures), ratios of T/Sy can be established for the intermediate-flow system.

  7. Contributions of additional group interaction parameters through limiting activity coefficient measurements on aliphatic alcohols, aromatic hydrocarbons, ketones and an ester in tetrahydroxyethylethylenediamine and tetraethylene pentamine

    Microsoft Academic Search

    S. M. Ashraf; M. Ramakrishna; D. H. L. Prasad; M. Bhagwanth Rao

    1999-01-01

    Gas chromatographic method has been used to measure the limiting activity coefficient of some aliphatic alcohols (ethanol, 1-propanol, 1-butanol and 1-pentanol), aromatic hydrocarbons (benzene, toluene, ethylbenzene, o-xylene and p-xylene), ketones (acetone and methylisobutylketone), ethylacetate and chlorobenzene in tetrahydroxyethylethylenediamine (THEEDA) and tetraethylpentamine (TEPA). The measurements involving THEEDA have been used to derive UNIFAC group interaction parameters for seven new pairs, while

  8. Spontaneous and reversible interaction of vanadium(V) oxyanions with amine derivatives

    SciTech Connect

    Crans, D.C.; Shin, P.K.

    1988-05-18

    The interaction between vanadate and tri- or tetradentate ethanolamine derivatives has been studied by using /sup 51/V NMR spectroscopy. The reactions occur spontaneously in aqueous solutions, at ambient temperatures and in the physiological pH range. In addition to one amine group and one hydroxyl group, the ethanolamine derivative should contain a third and/or fourth functionality that is an alcohol, a carboxylic acid, a phosphonium acid, or an amine. The reactions are highly dependent on pH, concentrations of monomeric vanadate, amine. The stability constants for the complexes are minimum orders of magnitude greater than those found for vanadate derivatives of corresponding ether derivatives, and the high stability is associated with the central nitrogen. Only one vanadium complex is formed in substantial amounts in the reaction of ethanolamine derivatives with vanadate, and that complex is mononuclear in vanadium. Several of the ethanolamine derivatives that form complexes are commonly used buffers in biological and biomedical studies in vitro. 22 refs., 10 figs., 7 tabs.

  9. Brain-derived neurotrophic factor and androgen interactions in spinal neuromuscular systems.

    PubMed

    Verhovshek, T; Rudolph, L M; Sengelaub, D R

    2013-06-01

    Neurotrophic factors and steroid hormones interact to regulate a variety of neuronal processes such as neurite outgrowth, differentiation, and neuroprotection. The coexpression of steroid hormone and neurotrophin receptor mRNAs and proteins, as well as their reciprocal regulation provides the necessary substrates for such interactions to occur. This review will focus on androgen brain-derived neurotrophic factor (BDNF) interactions in the spinal cord, describing androgen regulation of BDNF in neuromuscular systems following castration, androgen manipulation, and injury. Androgens interact with BDNF during development to regulate normally-occurring motoneuron death, and in adulthood, androgen-BDNF interactions are involved in the maintenance of several features of neuromuscular systems. Androgens regulate BDNF and trkB expression in spinal motoneurons. Androgens also regulate BDNF levels in the target musculature, and androgenic action at the muscle regulates BDNF levels in motoneurons. These interactions have important implications for the maintenance of motoneuron morphology. Finally, androgens interact with BDNF after injury, influencing soma size, dendritic morphology, and axon regeneration. Together, these findings provide further insight into the development and maintenance of neuromuscular systems and have implications for the neurotherapeutic/neuroprotective roles of androgens and trophic factors in the treatment of motoneuron disease and recovery from injury. PMID:23103213

  10. Synthesis of fluorescent derivatives of praziquantel: cell-imaging and interaction with Schistosoma japonicum cercariae.

    PubMed

    Xie, Yunzhi; Li, Yibao; Wu, Yongquan; Liu, Chunhua; Li, Xiaokang; Li, Xun; Fan, Xiaolin

    2013-09-28

    Schistosomiasis is one of the most burdensome of the neglected tropical diseases. Praziquantel is a recommended drug for treatment against all forms of schistosomiasis. To investigate the interaction between praziquantel and Schistosoma japonicum cercariae, two praziquantel derivatives (PZQ-2 and PZQ-3) and one praziquantel fluorescent derivative (PZQ-5) have been synthesized and characterized using nuclear magnetic resonance spectroscopy (NMR) and MS spectra. The cytotoxicity of PZQ-2, PZQ-3 and PZQ-5 was measured by performing the methyl thiazolyl tetrazolium (MTT) assay. The cell viability for them shows that the three compounds exhibit low cytotoxicity to HeLa cells. Cell imaging experiments demonstrate that PZQ-5 is biocompatible and cell-permeable, which indicates that PZQ-5 is suitable for studying their interaction. Confocal fluorescence microscopy revealed that PZQ-5 is mainly located at the cercarial tegument, which leads to the death of cercariae with the increase in time. PMID:23925274

  11. Langerhans cells suppress CHS responses via cognate CD4 interaction and LC-derived IL-10

    PubMed Central

    Igyarto, Botond Z.; Jenison, Matthew C.; Dudda, Jan C.; Roers, Axel; Müller, Werner; Koni, Pandelakis A.; Campbell, Daniel J.; Shlomchik, Mark J.; Kaplan, Daniel H.

    2011-01-01

    SUMMARY Mice lacking epidermal Langerhans cells (LC) develop exaggerated contact-hypersensitivity (CHS) responses due to the absence of LC during sensitization/initiation. Examination of T cell responses reveals that the absence of LC leads to increased numbers of hapten-specific CD4 and CD8 T cells but does not alter cytokine expression or development of Treg. CHS responses and antigen-specific T cells are increased in mice in which MHC-II is ablated specifically in LC suggesting that direct cognate interaction between LC and CD4 cells is required for LC suppression. LC-derived IL-10 is also required for optimal inhibition of CHS. Both LC-derived IL-10 mediated suppression and full LC activation require LC expression of MHC-II. These data support a model in which cognate interaction of LC with CD4 T cells enables LC to inhibit expansion of antigen-specific responses via elaboration of IL-10. PMID:19801524

  12. Hydrogen bonding NH/pi interactions between betacarboline and methyl benzene derivatives.

    PubMed

    Muñoz, M A; Sama, O; Galán, M; Guardado, P; Carmona, C; Balón, M

    2001-04-01

    In the presence of benzene, toluene, m-xylene, mesitylene and durene, the pyrrolic NH stretching band of betacarboline, 9H-pyrido[3,4-b]indole, and its 1-methyl derivative, harmane, in tetrachloroethane diminishes in intensity while a new red-shifted band grows up. The shifts of the associated bands increase linearly with the pi-electron density of the substrates. These spectral changes are attributed to the formation of 1:1 molecular association complexes between the betacarbolines and the benzenoid substrates. The complexes are stabilized by the hydrogen-bonding interaction between the pyrrolic NH group of betacarboline and the pi-delocalized electrons of the benzene derivatives. The influence of these NH/pi hydrogen-bonding interactions in the fluorescence spectra of betacarboline is discussed. PMID:11374564

  13. Thermal analysis to derive energetic quality parameters of soil organic matter?

    NASA Astrophysics Data System (ADS)

    Peikert, Benjamin; Schaumann, Gabriele Ellen

    2014-05-01

    Many studies have dealt with thermal analysis for characterisation of soil and soil organic matter. It is a versatile tool assessing various physicochemical properties of the sample during heating and/or cooling. Especially the combination of different detection methods is highly promising. In this contribution, we will discuss the combination of thermogravimetry (TGA) with differential scanning calorimetry (DSC) in one single thermal analysis device. TGA alone helps distinguishment of soil and soil organic matter fractions with respect to their resistance towards combustion and allows a quantitative assignment of thermolabile and recalcitrant OM fractions. Combination with DSC in the same device, allows determination of energy transformation during the combustion process. Therefore, it becomes possible to determine not only the calorific value of the organic matter, but also of its fractions. We will show the potential of using the calorific values of OM fractions as quality parameter - exemplified for the analysis of soils polluted with organic matter from the olive oil production. The pollution history of these samples is largely unknown. As expected, TGA indicated a relative enrichment of the labile carbon fraction in contaminated samples with respect to the controls. The calorific values of the thermolabile and the recalcitrant fractions differ from each other, and those of the recalcitrant fractions of the polluted samples were higher than of those of the unpolluted controls. Further analyses showed correlation of the calorific value of this fraction with soil water repellency and the carbon isotopic ratio. The synthesis of our current data suggests that the content of thermolabile fraction, the isotopic ratio and calorific value of the recalcitrant fraction are useful indicators for characterizing the degree of decomposition of OMW organic matter. In this contribution, we will further discuss the potential of using the energetic parameters a quality parameter for soil organic matter.

  14. Band-Gap Bowing Parameters of the Zincblende Ternary III-Nitrides Derived from Theoretical Simulation

    NASA Astrophysics Data System (ADS)

    Lin, Wen-Wei; Kuo, Yen-Kuang; Liou, Bo-Ting

    2004-01-01

    The band-gap bowing parameters of unstrained zincblende ternary III-nitride alloys are investigated numerically with the CASTEP simulation program. Direct and indirect band-gap bowing parameters of 1.379 eV and 1.672 eV for InxGa1-xN, 0.755 eV and 0.296 eV for AlxGa1-xN, and 2.729 eV and 3.624 eV for AlxIn1-xN are obtained. Simulation results show that the direct band-gap energy is always smaller than its indirect counterpart for InxGa1-xN, indicating that the zincblende InxGa1-xN is a direct band-gap semiconductor. There is a direct-indirect crossover near x=0.571 for AlxGa1-xN, and x=0.244 for AlxIn1-xN. The relationship between band-gap energy and lattice constant for zincblende InxGa1-xN, AlxGa1-xN, and AlxIn1-xN is also provided.

  15. Prevalence of Keratoconus and Subclinical Keratoconus in Subjects with Astigmatism Using Pentacam Derived Parameters

    PubMed Central

    Serdarogullari, Huseyin; Tetikoglu, Mehmet; Karahan, Hatice; Altin, Feyza; Elcioglu, Mustafa

    2013-01-01

    Purpose To determine the prevalence of keratoconus (KCN) and subclinical KCN among subjects with two or more diopters (D) of astigmatism, and to compare Pentacam parameters among these subjects. Methods One hundred and twenty eight eyes of 64 subjects with astigmatism ?2D were included in the study. All subjects underwent a complete ophthalmic examination which included refraction, visual acuity measurement, slit lamp biomicroscopy, retinoscopy, fundus examination, conventional corneal topography and elevation-based topography with Pentacam. The diagnosis of KCN and subclinical KCN was made by observing clinical findings and topographic features; and confirmed by corneal thickness and elevation maps of Pentacam. Several parameters acquired from Pentacam were analyzed employing the Mann-Whitney U Test. Results Mean age of the study population was 29.9±9.8 (range 15-45) years which included 39 (60.9%) female and 25 (39.1%) male subjects. Maximum corneal power, index of vertical asymmetry, keratoconus index and elevation values were significantly higher and pachymetry was significantly thinner in eyes with clinical or subclinical KCN than normal astigmatic eyes (P< 0.05). Conclusion The current study showed that subjects with 2D or more of astigmatism who present to outpatient clinics should undergo corneal topography screening for early diagnosis of KCN even if visual acuity is not affected. Pentacam may provide more accurate information about anterior and posterior corneal anatomy especially in suspect eyes. PMID:24349664

  16. Automated optimization of water-water interaction parameters for a coarse-grained model.

    PubMed

    Fogarty, Joseph C; Chiu, See-Wing; Kirby, Peter; Jakobsson, Eric; Pandit, Sagar A

    2014-02-13

    We have developed an automated parameter optimization software framework (ParOpt) that implements the Nelder-Mead simplex algorithm and applied it to a coarse-grained polarizable water model. The model employs a tabulated, modified Morse potential with decoupled short- and long-range interactions incorporating four water molecules per interaction site. Polarizability is introduced by the addition of a harmonic angle term defined among three charged points within each bead. The target function for parameter optimization was based on the experimental density, surface tension, electric field permittivity, and diffusion coefficient. The model was validated by comparison of statistical quantities with experimental observation. We found very good performance of the optimization procedure and good agreement of the model with experiment. PMID:24460506

  17. New Microscopic Derivation of the Interacting Boson Model and Its Applications to Exotic Nuclei

    SciTech Connect

    Nomura, K.; Shimizu, N. [Department of Physics, University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Otsuka, T. [Department of Physics, University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); RIKEN Nishina center, Hirosawa, Wako-shi, 351-0198 Saitama (Japan); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI (United States)

    2009-08-26

    We present a new scheme to determine the Hamiltonian of the Interacting Boson Model (IBM) microscopically, which starts from the mean-field model with Skyrme-type interactions. Surface deformations and the effects of the nuclear force are simulated in terms of bosons. By comparing Potential Energy Surface (PES) of the mean-field model with that of the IBM, the parameters of the IBM Hamiltonian can be obtained. By this method, quantum shape/phase transitions and critical-point symmetries can be reproduced. Systematic calculations on Xe and Ru isotopes shall be newly presented, which partly contain the predicted energy levels.

  18. Analyzing different parameters of steered molecular dynamics for small membrane interacting molecules

    Microsoft Academic Search

    Alicia C. Lorenzo; Paulo M. Bisch

    2005-01-01

    The aim of this report is two-fold: First, to show the applicability of the Steered Molecular Dynamics (SMD) methodology for analyzing non-specific interactions governing the membrane affinity process of small biological molecules. Second, to point out a correlation between the system response and certain combinations of the SMD parameters (spring-elastic-constant and pulling-group). For these purposes, a simplified membrane model was

  19. Accuracy of Geophysical Parameters Derived from AIRS/AMSU as a Function of Fractional Cloud Cover

    NASA Technical Reports Server (NTRS)

    Susskind, Joel; Barnet, Chris; Blaisdell, John; Iredell, Lena; Keita, Fricky; Kouvaris, Lou; Molnar, Gyula; Chahine, Moustafa

    2005-01-01

    AIRS was launched on EOS Aqua on May 4,2002, together with AMSU A and HSB, to form a next generation polar orbiting infrared and microwave atmospheric sounding system. The primary products of AIRS/AMSU are twice daily global fields of atmospheric temperature-humidity profiles, ozone profiles, sea/land surface skin temperature, and cloud related parameters including OLR. The sounding goals of AIRS are to produce 1 km tropospheric layer mean temperatures with an rms error of 1K, and layer precipitable water with an rms error of 20%, in cases with up to 80% effective cloud cover. The basic theory used to analyze AIRS/AMSU/HSB data in the presence of clouds, called the at-launch algorithm, was described previously. Pre-launch simulation studies using this algorithm indicated that these results should be achievable. Some modifications have been made to the at-launch retrieval algorithm as described in this paper. Sample fields of parameters retrieved from AIRS/AMSU/HSB data are presented and validated as a function of retrieved fractional cloud cover. As in simulation, the degradation of retrieval accuracy with increasing cloud cover is small. HSB failed in February 2005, and consequently HSB channel radiances are not used in the results shown in this paper. The AIRS/AMSU retrieval algorithm described in this paper, called Version 4, become operational at the Goddard DAAC in April 2005 and is being used to analyze near-real time AIRS/AMSU data. Historical AIRS/AMSU data, going backwards from March 2005 through September 2002, is also being analyzed by the DAAC using the Version 4 algorithm.

  20. Assessing sounding-derived parameters as storm predictors in different latitudes

    NASA Astrophysics Data System (ADS)

    Sánchez, José Luis; Marcos, José Luis; Dessens, Jean; López, Laura; Bustos, Carlos; García-Ortega, Eduardo

    Many thermodynamic parameters and indices are currently being used as thunderstorm predictors because of their high correlations with the beginning and development of convection. Many of these indices have been developed for one specific area and their forecasting accuracy has generally been assessed in that zone and not in others. It is a highly intriguing question whether there are parameters or indices that may function adequately as thunderstorm predictors, as far as the Probability of Detection is concerned, irrespective of the latitude of the study zone. In order to approach this issue the present study focuses on data from 1692 sounding days in León (Spain), Zaragoza (Spain), Bordeaux (France) and Mendoza (Argentina). Specific discriminant models have already been developed for these areas. When comparing the results found by the different models constructed for each of the four study zones it may be noticed that there are no indices that function extremely well in all of the zones. Rather, a common ingredient pattern is observed for the beginning of convection): atmospheric instability and moist layers in the low atmosphere. It may also be concluded that sounding data alone are not enough to detect accurately the triggering mechanism, which is the third ingredient necessary for convection. The aim of this paper is to build a logistic equation integrating the four study zones. The stepwise method was employed with this purpose because it allows for the gradual inclusion of variables in the final equation according to their discriminating power. The results obtained suggest that Showalter Index and 850 hPa Dew Point Temperature are the variables that best characterize preconvective conditions irrespective of the geographic area considered. The values for POD (Probability of Detection) and FAR (False Alarm Ratio) are acceptable, but they are clearly lower than the ones obtained by each of the models in the study zone for which they were developed.

  1. Interaction of Salmonella enterica Serovar Typhimurium with Intestinal Organoids Derived from Human Induced Pluripotent Stem Cells.

    PubMed

    Forbester, Jessica L; Goulding, David; Vallier, Ludovic; Hannan, Nicholas; Hale, Christine; Pickard, Derek; Mukhopadhyay, Subhankar; Dougan, Gordon

    2015-07-01

    The intestinal mucosa forms the first line of defense against infections mediated by enteric pathogens such as salmonellae. Here we exploited intestinal "organoids" (iHOs) generated from human induced pluripotent stem cells (hIPSCs) to explore the interaction of Salmonella enterica serovar Typhimurium with iHOs. Imaging and RNA sequencing were used to analyze these interactions, and clear changes in transcriptional signatures were detected, including altered patterns of cytokine expression after the exposure of iHOs to bacteria. S. Typhimurium microinjected into the lumen of iHOs was able to invade the epithelial barrier, with many bacteria residing within Salmonella-containing vacuoles. An S. Typhimurium invA mutant defective in the Salmonella pathogenicity island 1 invasion apparatus was less capable of invading the iHO epithelium. Hence, we provide evidence that hIPSC-derived organoids are a promising model of the intestinal epithelium for assessing interactions with enteric pathogens. PMID:25964470

  2. Interaction of Salmonella enterica Serovar Typhimurium with Intestinal Organoids Derived from Human Induced Pluripotent Stem Cells

    PubMed Central

    Forbester, Jessica L.; Goulding, David; Vallier, Ludovic; Hannan, Nicholas; Hale, Christine; Pickard, Derek; Mukhopadhyay, Subhankar

    2015-01-01

    The intestinal mucosa forms the first line of defense against infections mediated by enteric pathogens such as salmonellae. Here we exploited intestinal “organoids” (iHOs) generated from human induced pluripotent stem cells (hIPSCs) to explore the interaction of Salmonella enterica serovar Typhimurium with iHOs. Imaging and RNA sequencing were used to analyze these interactions, and clear changes in transcriptional signatures were detected, including altered patterns of cytokine expression after the exposure of iHOs to bacteria. S. Typhimurium microinjected into the lumen of iHOs was able to invade the epithelial barrier, with many bacteria residing within Salmonella-containing vacuoles. An S. Typhimurium invA mutant defective in the Salmonella pathogenicity island 1 invasion apparatus was less capable of invading the iHO epithelium. Hence, we provide evidence that hIPSC-derived organoids are a promising model of the intestinal epithelium for assessing interactions with enteric pathogens. PMID:25964470

  3. Bottom-up modeling approach for the quantitative estimation of parameters in pathogen-host interactions

    PubMed Central

    Lehnert, Teresa; Timme, Sandra; Pollmächer, Johannes; Hünniger, Kerstin; Kurzai, Oliver; Figge, Marc Thilo

    2015-01-01

    Opportunistic fungal pathogens can cause bloodstream infection and severe sepsis upon entering the blood stream of the host. The early immune response in human blood comprises the elimination of pathogens by antimicrobial peptides and innate immune cells, such as neutrophils or monocytes. Mathematical modeling is a predictive method to examine these complex processes and to quantify the dynamics of pathogen-host interactions. Since model parameters are often not directly accessible from experiment, their estimation is required by calibrating model predictions with experimental data. Depending on the complexity of the mathematical model, parameter estimation can be associated with excessively high computational costs in terms of run time and memory. We apply a strategy for reliable parameter estimation where different modeling approaches with increasing complexity are used that build on one another. This bottom-up modeling approach is applied to an experimental human whole-blood infection assay for Candida albicans. Aiming for the quantification of the relative impact of different routes of the immune response against this human-pathogenic fungus, we start from a non-spatial state-based model (SBM), because this level of model complexity allows estimating a priori unknown transition rates between various system states by the global optimization method simulated annealing. Building on the non-spatial SBM, an agent-based model (ABM) is implemented that incorporates the migration of interacting cells in three-dimensional space. The ABM takes advantage of estimated parameters from the non-spatial SBM, leading to a decreased dimensionality of the parameter space. This space can be scanned using a local optimization approach, i.e., least-squares error estimation based on an adaptive regular grid search, to predict cell migration parameters that are not accessible in experiment. In the future, spatio-temporal simulations of whole-blood samples may enable timely stratification of sepsis patients by distinguishing hyper-inflammatory from paralytic phases in immune dysregulation.

  4. Urban Heat Island Modeling in Conjunction with Satellite-Derived Surface/Soil Parameters.

    NASA Astrophysics Data System (ADS)

    Hafner, Jan; Kidder, Stanley Q.

    1999-04-01

    Although it has been studied for over 160 years, the urban heat island (UHI) effect is still not completely understood, yet it is increasingly important. The main purpose of this work is to improve UHI modeling by using AVHRR (Advanced Very High Resolution Radiometer) satellite data to retrieve the surface parameters (albedo, as well as soil thermal and moisture properties). In this study, a hydrostatic three-dimensional mesoscale model was used to perform the numerical modeling. The Carlson technique was applied to retrieve the thermal inertia and moisture availability using the thermal AVHRR channels 4 and 5. The net urban effect was determined as the difference between urban and nonurban simulations, in which urban parameters were replaced by rural parameters.Two winter days were each used for two numerical simulations: a control and an urban-to-rural replacement run. Moisture availability values on the less windy day showed generally a south to north gradient downwind of the city and urban values less than rural values (the urban dry island day). Moisture availability was higher on the windy day, with uniform values in the rural and urban areas (uniform soil moisture day). The only exceptions were variations in the rural hills north of the city and the low rural values under the polluted urban plume downwind of the city.While thermal inertia values showed no urban-rural differences on the uniform soil moisture day, they exhibited larger values over Atlanta than in surrounding rural area on the (less moist) dry island day. Two puzzling facts exist in the data: 1) lack of a north-south thermal inertia gradient on the dry soil day to correspond to its above-mentioned moisture availability gradient and 2) rural thermal inertia values do not change between both days in spite of their large difference in soil moisture. The observed lack of corresponding urban change is expected, as its thermal inertia values depend more on urban building materials than on moisture of soil.In both cases both the 2-m and surface skin UHIs showed positive values at night and negative values (an urban cool island, UCI) during the day. The larger nighttime 2-m UHI was on the dry day (0.8° vs 0.6°C), while the larger daytime 2-m UCI was on the moist soil day (0.3° vs 0.5°C). Note that the surface differences were almost always greater than the 2-m differences.These day-night differences imply a rural thermal inertia lower than its urban values on both days, which is in conflict with the observations on the wet uniform soil moisture day. On the uniform thermal inertia day (wet day), both the UHI and UCI amplitudes should be less than on the other day, but this is not the case. A possible explanation for both of these conflicts is the improper influence of the urban plume on this day on lowering the thermal inertia and moisture availability values used in the replacement urban simulation.

  5. DERIVING THE PHYSICAL PARAMETERS OF A SOLAR EJECTION WITH AN ISOTROPIC MAGNETOHYDRODYNAMIC EVOLUTIONARY MODEL

    SciTech Connect

    Berdichevsky, Daniel B. [Department of Electrical and Computer Engineering, University of the District of Columbia, Washington, DC 20008 (United States); Stenborg, Guillermo [College of Sciences, George Mason University, Fairfax, VA 22030 (United States); Vourlidas, Angelos [Space Sciences Division, Naval Research Laboratory, Washington, DC 20375 (United States)

    2011-11-01

    The time-space evolution of a {approx}50 Degree-Sign wide coronal mass ejection (CME) on 2007 May 21 is followed remotely with the Solar Terrestrial Relations Observatory heliospheric imager HI-1, and measured in situ near Venus by the MESSENGER and Venus-Express spacecraft. The paper compares the observations of the CME structure with a simple, analytical magnetohydrodynamic force-free solution. It corresponds to a self-similar evolution, which gives a consistent picture of the main spatial-temporal features for both remote and in situ observations. Our main findings are (1) the self-similar evolution allows us to map the CME bright front into about 1/3 of the whole interplanetary counterpart of the coronal mass ejection (ICME, i.e., corresponding to the in situ observed passage of the plasma and magnetic field structure), in good quantitative agreement with the imaging measurements, (2) the cavity following the CME front maps into the rest of the ICME structure, 80% or more of which is consistent with a force free, cylindrically shaped flux rope, and (3) time and space conditions constrain the translational speed of the FR center to 301 km s{sup -1}, and the expansion speed of the FR core to 26 km s{sup -1}. A careful determination of the ICME cross-section and volume allows us to calculate the mass of the CME bright region (4.3 {+-} 1.1 10{sup 14} g) from the in situ measurements of the proton number density, which we assume to be uniform inside the bright region, of excellent agreement with the value estimated from the SECCHI HI-1 observations for the same structure. We provide model estimates for several global parameters including FR helicity ({approx}2 Multiplication-Sign 10{sup 26} Weber{sup 2}).

  6. Derivation of Spatial Parameters to Estimate Mass Delivery of Pesticides to Ground Water in Morgan Creek, Maryland

    NASA Astrophysics Data System (ADS)

    Wieczorek, M. E.; Webb, R. M.

    2006-05-01

    Water and solutes in the unsaturated zone are being intensively monitored at multiple sites in Morgan Creek, Maryland as part of the U.S. Geological Survey?s National Water- Quality Assessment (NAWQA) program. The observations are being used to calibrate simple and complex one-dimensional models that simulate the movement of water and the transformation pesticides in the unsaturated zone beneath the monitored sites. However, the monitored sites are limited in their representation of pesticide fluxes through the larger watershed encompassing the sites. This paper describes how ensembles of spatially distributed model parameters were derived to predict mass delivery of pesticides to the ground water in the larger watershed of Morgan Creek. Model parameters describing pesticide solubility, dispersion, sorbtivity, and transformation rates were calibrated to match concentrations of pesticides and metabolites observed in lysimeter samples installed at the intensive monitoring sites. The parameters describing the pesticide properties were then held fixed in a suite of models built to represent the variety of land use, soils, and unsaturated-zone thicknesses found in the Morgan Creek watershed. Land-use data were compiled from the Geographic Information Retrieval Analysis System (GIRAS), the National Land Cover Dataset (NLCD), and field surveys. Soil-erodibility and bulk-density information was obtained from the State Survey Geographic (STATSGO) database, whereas descriptions of soil texture, organic material, permeability, and available water-capacity values were obtained from the more detailed Soil Survey Geographic (SSURGO) database. Unsaturated-thickness information was created from the difference between a 30-meter resolution grid of head values, created using the results of a steady-state modular three-dimensional ground-water flow model (MODFLOW), and a 3-meter resolution digital elevation model (DEM, resampled to 30-meter), derived from Light Detection and Ranging (LIDAR). A point coverage of 100-meter spacing was overlaid onto the resulting maps of land use, soils, and unsaturated-zone thickness to identify the characteristics of the watershed surrounding the intensive monitoring sites. The approximately 3,300 sampled points were then subjected to a cluster analysis to identify regions with similar characteristics and to estimate the statistical distribution of specific model parameters within each region. Where nominal values were encountered, a noise model was added to provide a range in expected values. The mean and variance for each parameter in a cluster were then used to define the parameter space for input to models simulating the unsaturated-zone processes within each cluster. Finally, model predictions and confidence intervals were weighted by the area of each cluster to arrive at estimates of fluxes of water and sediment in the larger watershed.

  7. Analysis of Toxic Amyloid Fibril Interactions at Natively Derived Membranes by Ellipsometry

    PubMed Central

    Smith, Rachel A. S.; Nabok, Aleksey; Blakeman, Ben J. F.; Xue, Wei-Feng; Abell, Benjamin; Smith, David P.

    2015-01-01

    There is an ongoing debate regarding the culprits of cytotoxicity associated with amyloid disorders. Although small pre-fibrillar amyloid oligomers have been implicated as the primary toxic species, the fibrillar amyloid material itself can also induce cytotoxicity. To investigate membrane disruption and cytotoxic effects associated with intact and fragmented fibrils, the novel in situ spectroscopic technique of Total Internal Reflection Ellipsometry (TIRE) was used. Fibril lipid interactions were monitored using natively derived whole cell membranes as a model of the in vivo environment. We show that fragmented fibrils have an increased ability to disrupt these natively derived membranes by causing a loss of material from the deposited surface when compared with unfragmented fibrils. This effect was corroborated by observations of membrane disruption in live cells, and by dye release assay using synthetic liposomes. Through these studies we demonstrate the use of TIRE for the analysis of protein-lipid interactions on natively derived lipid surfaces, and provide an explanation on how amyloid fibrils can cause a toxic gain of function, while entangled amyloid plaques exert minimal biological activity. PMID:26172440

  8. Chemical and molecular aspects on interactions of galanthamine and its derivatives with cholinesterases.

    PubMed

    Gulcan, Hayrettin O; Orhan, Ilkay E; Sener, Bilge

    2015-01-01

    Dual action of galanthamine as potent cholinesterase inhibitor and nicotinic modulator has attracted a great attention to be used in the treatment of AD. Consequently, galanthamine, a natural alkaloid isolated from a Galanthus species (snowdrop, Amaryllidaceae), has become an attractive model compound for synthesis of its novel derivatives to discover new drug candidates. Numerous studies have been done to elucidate interactions between galanthamine and its different derivatives and the enzymes; acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) using in vitro and in silico experimental models. The in vitro studies revealed that galanthamine inhibits AChE in strong, competitive, long-acting, and reversible manner as well as BChE, although its selectivity towards AChE is much higher than BChE. The in silico studies carried out by employing molecular docking experiments as well as molecular dynamics simulations pointed out to existence of strong interactions of galanthamine with the active gorge of AChE, mostly of Torpedo californica (the Pasific electric ray) origin. In this review, we evaluate the mainstays of cholinesterase inhibitory action of galanthamine and its various derivatives from the point of view of chemical and molecular aspects. PMID:25483718

  9. Spatial Prediction of Soil Classes by Using Soil Weathering Parameters Derived from vis-NIR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ramirez-Lopez, Leonardo; Alexandre Dematte, Jose

    2010-05-01

    There is consensus in the scientific community about the great need of spatial soil information. Conventional mapping methods are time consuming and involve high costs. Digital soil mapping has emerged as an area in which the soil mapping is optimized by the application of mathematical and statistical approaches, as well as the application of expert knowledge in pedology. In this sense, the objective of the study was to develop a methodology for the spatial prediction of soil classes by using soil spectroscopy methodologies related with fieldwork, spectral data from satellite image and terrain attributes in simultaneous. The studied area is located in São Paulo State, and comprised an area of 473 ha, which was covered by a regular grid (100 x 100 m). In each grid node was collected soil samples at two depths (layers A and B). There were extracted 206 samples from transect sections and submitted to soil analysis (clay, Al2O3, Fe2O3, SiO2 TiO2, and weathering index). The first analog soil class map (ASC-N) contains only soil information regarding from orders to subgroups of the USDA Soil Taxonomy System. The second (ASC-H) map contains some additional information related to some soil attributes like color, ferric levels and base sum. For the elaboration of the digital soil maps the data was divided into three groups: i) Predicted soil attributes of the layer B (related to the soil weathering) which were obtained by using a local soil spectral library; ii) Spectral bands data extracted from a Landsat image; and iii) Terrain parameters. This information was summarized by a principal component analysis (PCA) in each group. Digital soil maps were generated by supervised classification using a maximum likelihood method. The trainee information for this classification was extracted from five toposequences based on the analog soil class maps. The spectral models of weathering soil attributes shown a high predictive performance with low error (R2 0.71 to 0.90). The spatial prediction of these attributes also showed a high performance (validations with R2> 0.78). These models allowed to increase spatial resolution of soil weathering information. On the other hand, the comparison between the analog and digital soil maps showed a global accuracy of 69% for the ASC-N map and 62% in the ASC-H map, with kappa indices of 0.52 and 0.45 respectively.

  10. Weak Interactions Govern the Viscosity of Concentrated Antibody Solutions: High-Throughput Analysis Using the Diffusion Interaction Parameter

    PubMed Central

    Connolly, Brian D.; Petry, Chris; Yadav, Sandeep; Demeule, Barthélemy; Ciaccio, Natalie; Moore, Jamie M.R.; Shire, Steven J.; Gokarn, Yatin R.

    2012-01-01

    Weak protein-protein interactions are thought to modulate the viscoelastic properties of concentrated antibody solutions. Predicting the viscoelastic behavior of concentrated antibodies from their dilute solution behavior is of significant interest and remains a challenge. Here, we show that the diffusion interaction parameter (kD), a component of the osmotic second virial coefficient (B2) that is amenable to high-throughput measurement in dilute solutions, correlates well with the viscosity of concentrated monoclonal antibody (mAb) solutions. We measured the kD of 29 different mAbs (IgG1 and IgG4) in four different solvent conditions (low and high ion normality) and found a linear dependence between kD and the exponential coefficient that describes the viscosity concentration profiles (|R| ? 0.9). Through experimentally measured effective charge measurements, under low ion normality where the electroviscous effect can dominate, we show that the mAb solution viscosity is poorly correlated with the mAb net charge (|R| ? 0.6). With this large data set, our results provide compelling evidence in support of weak intermolecular interactions, in contrast to the notion that the electroviscous effect is important in governing the viscoelastic behavior of concentrated mAb solutions. Our approach is particularly applicable as a screening tool for selecting mAbs with desirable viscosity properties early during lead candidate selection. PMID:22828333

  11. Characterization of Lesion Formation and Bubble Activities during High Intensity Focused Ultrasound Ablation using Temperature-Derived Parameters

    PubMed Central

    Hsiao, Yi-Sing; Kumon, Ronald E.; Deng, Cheri X.

    2013-01-01

    Successful high-intensity focused ultrasound (HIFU) thermal tissue ablation relies on accurate information of the tissue temperature and tissue status. Often temperature measurements are used to predict and monitor the ablation process. In this study, we conducted HIFU ablation experiments with ex vivo porcine myocardium tissue specimens to identify changes in temperature associated with tissue coagulation and bubble/cavity formation. Using infrared (IR) thermography and synchronized bright-field imaging with HIFU applied near the tissue surface, parameters derived from the spatiotemporal evolution of temperature were correlated with HIFU-induced lesion formation and overheating, of which the latter typically results in cavity generation and/or tissue dehydration. Emissivity of porcine myocardium was first measured to be 0.857 ± 0.006 (n = 3). HIFU outcomes were classified into non-ablative, normal lesion, and overheated lesion. A marked increase in the rate of temperature change during HIFU application was observed with lesion formation. A criterion using the maximum normalized second time derivative of temperature change provided 99.1% accuracy for lesion identification with a 0.05 s?1 threshold. Asymmetric temperature distribution on the tissue surface was observed to correlate with overheating and/or bubble generation. A criterion using the maximum displacement of the spatial location of the peak temperature provided 90.9% accuracy to identify overheated lesion with a 0.16 mm threshold. Spatiotemporal evolution of temperature obtained using IR imaging allowed determination of the cumulative equivalent minutes at 43 °C (CEM43) for lesion formation to be 170 min. Similar temperature characteristics indicative of lesion formation and overheating were identified for subsurface HIFU ablation. These results suggest that parameters derived from temperature changes during HIFU application are associated with irreversible changes in tissue and may provide useful information for monitoring HIFU treatment. PMID:23878517

  12. Examination of model uncertainty and parameter interaction in a global carbon cycling model (GLOCO)

    SciTech Connect

    Grieb, T.M. [Tetra Tech, Inc., Lafayette, CA (United States)] [Tetra Tech, Inc., Lafayette, CA (United States); [Univ. of California, Berkeley, CA (United States). Environmental Health Sciences; Hudson, R.J.M.; Gherini, S.A. [Tetra Tech, Inc., Lafayette, CA (United States)] [Tetra Tech, Inc., Lafayette, CA (United States); Shang, N. [Rensselaer Polytechnic Inst., Troy, NY (United States)] [Rensselaer Polytechnic Inst., Troy, NY (United States); Spear, R.C. [Univ. of California, Berkeley (United States). Environmental Health Sciences] [Univ. of California, Berkeley (United States). Environmental Health Sciences; Goldstein, R.A. [Electric Power Research Inst., Palo Alto, CA (United States)] [Electric Power Research Inst., Palo Alto, CA (United States)

    1999-09-01

    Simulation models play an important role in understanding the causes and consequences of climate change. In order to make full use of these models, it is necessary to establish the magnitude and sources of uncertainty associated with their predictions. This information can be used to achieve a better understanding of the simulated systems, to increase the reliability of model predictions, to guide field surveys and laboratory experiments, and to define realistic values that should be used in scientific, economic, and political discussions of future conditions. In this paper, a new tree-structured density estimation technique that extends the ability of Monte Carlo-based analyses to explore parameter interactions and uncertainty in complex environmental models was applied. The application of the technique is demonstrated using the GLOCO global carbon cycle model. The paper demonstrates that there are numerous distinct parameter combinations that can meet fairly stringent calibration criteria, and they are concentrated in relatively small subsets of the parameter space. These different subsets can be viewed as representing different ecological systems that achieve the same calibration or performance goals in fundamentally different ways. It is also shown that the simulated responses of these systems to future environmental change can lead to different conclusions regarding the interaction between factors affecting environmental processes, such as the growth of vegetation. Together, these results show how the tree-structured density estimation technique can be applied to gain a broader understanding of model performance and of ecosystem responses to change.

  13. User's manual for DWNWND: an interactive Gaussian plume atmospheric transport model with eight dispersion parameter options

    SciTech Connect

    Fields, D.E.; Miller, C.W.

    1980-05-01

    The most commonly used approach for estimating the atmospheric concentration and deposition of material downwind from its point of release is the Gaussian plume atmospheric dispersion model. Two of the critical parameters in this model are sigma/sub y/ and sigma/sub z/, the horizontal and vertical dispersion parameters, respectively. A number of different sets of values for sigma/sub y/ and sigma/sub z/ have been determined empirically for different release heights and meteorological and terrain conditions. The computer code DWNWND, described in this report, is an interactive implementation of the Gaussian plume model. This code allows the user to specify any one of eight different sets of the empirically determined dispersion paramters. Using the selected dispersion paramters, ground-level normalized exposure estimates are made at any specified downwind distance. Computed values may be corrected for plume depletion due to deposition and for plume settling due to gravitational fall. With this interactive code, the user chooses values for ten parameters which define the source, the dispersion and deposition process, and the sampling point. DWNWND is written in FORTRAN for execution on a PDP-10 computer, requiring less than one second of central processor unit time for each simulation.

  14. Evaluation of the coupling parameters of many-body interactions in Fe(110)

    NASA Astrophysics Data System (ADS)

    Cui, X. Y.; Shimada, K.; Sakisaka, Y.; Kato, H.; Hoesch, M.; Oguchi, T.; Aiura, Y.; Namatame, H.; Taniguchi, M.

    2010-11-01

    In order to clarify many-body interactions in ferromagnetic iron, we performed high-resolution angle-resolved photoemission spectroscopy (ARPES) on a Fe(110) single crystal. We quantitatively analyzed the ARPES line shapes for a majority-spin band crossing the Fermi level (EF) . The observed group velocity was reduced with respect to the band-structure calculation by a factor of 1/2.7, giving a coupling parameter due to the electron-electron interaction of ?ee=1.7±0.1 . This suggests a strong electron correlation in Fe3d , which is consistent with recent high-resolution ARPES results. The real and imaginary parts of the self-energy have been experimentally evaluated near EF . The coupling parameter of the electron-phonon interaction was estimated to be ?ep=0.16±0.02 , which is 1/10 of ?ee . The effective-mass enhancement with respect to the band mass m?/mb˜1+?ee+?ep˜3 was, therefore, mainly caused by electron correlation.

  15. Interactions of Lysozyme and Azobenzene Derivatives in the Solution and on a Surface

    NASA Astrophysics Data System (ADS)

    Wei, Tao; Shing, Katherine

    2015-03-01

    The reversible isomerization of the azobenzene and its derivatives can control protein structure in an aqueous environment with the alternation of visible and UV lights for very promising applications in drug delivery. However, an atomistic description of Azo-molecules and protein amino acid residues is still lacking. In this study we performed atomistic molecular dynamics simulation to study the interactions between a lysozyme molecule and the Azobenzene derivative (in the bulk solution and grafted on the Silica surfaces). Protein structural arrangements (i.e., the shape and secondary structures) and its mobility, as a function of tran/cis ratio in the bulk solution and on the self-assembling monolayer surface's density and morphology, are systematically investigated.

  16. Aerosol, surface, and cloud optical parameters derived from airborne spectral actinic flux: measurement comparison with other methods

    NASA Astrophysics Data System (ADS)

    Stark, H.; Bierwirth, E.; Schmidt, S.; Kindel, B. C.; Pilewskie, P.; Lack, D. A.; Madronich, S.; Parrish, D. D.

    2009-12-01

    Optical parameters of aerosols, surfaces, and clouds are essential for an accurate description of Earth’s radiative balance. We will present values for such parameters derived from spectral actinic flux measured on board the NOAA WP-3D aircraft during the Aerosol, Radiation, and Cloud Processes affecting Arctic Climate (ARCPAC) study in April 2008. We will compare these measurements to results obtained from other instruments on board the same aircraft, such as the Solar Spectral Flux Radiometer (SSFR) for irradiance measurements and aerosol extinction and absorption measurements by cavity ring-down and Particle Soot Absorption Photometer (PSAP). Actinic flux is sensitive to these parameters and can be used to measure them directly in the atmosphere without in-situ sampling methods required. We will describe the specifics of the actinic flux measurements, show advantages and disadvantages of this measurement technique, and compare results with other techniques. Furthermore, we will compare our measurements with model calculations from radiative transfer models such as the Tropospheric Ultraviolet and Visible (TUV) radiation model, the widely used library of radiative transfer (libradtran) model, and a Monte-Carlo radiation model (GRIMALDI). Also, we will investigate satellite measurements to constrain the radiation measurements to general radiation conditions in the arctic and to compare the results to aerosol optical depth retrievals. In particular, we will show results for surface albedo of the Arctic Ocean ice surface, extinction and absorption of Arctic haze layers, and optical thickness and albedo measurements of clouds.

  17. Low-energy parameters of neutron-neutron interaction in the effective-range approximation

    SciTech Connect

    Babenko, V. A.; Petrov, N. M. [National Academy of Sciences of Ukraine, Bogolyubov Institute for Theoretical Physics (Ukraine)

    2013-06-15

    The effect of the mass difference between the charged and neutral pions on the low-energy parameters of nucleon-nucleon interaction in the {sup 1}S{sub 0} state is studied in the effective-range approximation. On the basis of experimental values of the singlet parameters of neutron-proton scattering and the experimental value of the virtual-state energy for the neutron-neutron systemin the {sup 1}S{sub 0} state, the following values were obtained for the neutron-neutron scattering length and effective range: a{sub nn} = -16.59(117) fm and r{sub nn} = 2.83(11) fm. The calculated values agree well with present-day experimental results.

  18. The influence of some parameters on the tube-support interaction

    SciTech Connect

    Ciorneiu, B. [Inst. of Solid Mechanics, Bucharest (Romania). Dept. of Structural Dynamics

    1996-12-01

    The problem studied in this paper is imposed by the necessity of increasing the reliability of heat exchangers. As known, the flow in the tubular bank can cause fretting-wear and impact mechanism at the tube-support interface, which finally can result in failure of the tube. This type of failure can occur, for example, in the steam generator tubes in nuclear power plants. One of the objectives of this study is to see how some parameters such as the equivalent contact stiffness and the radial clearance, affect the interaction between the tube and the baffle-support. On the basis of numerical simulation of the impact it is possible to draw same conclusions regarding the possibilities for reduction of the contact force which is one of the main parameters in the fretting-wear.

  19. Low-energy parameters of neutron-neutron interaction in the effective-range approximation

    NASA Astrophysics Data System (ADS)

    Babenko, V. A.; Petrov, N. M.

    2013-06-01

    The effect of the mass difference between the charged and neutral pions on the low-energy parameters of nucleon-nucleon interaction in the 1 S 0 state is studied in the effective-range approximation. On the basis of experimental values of the singlet parameters of neutron-proton scattering and the experimental value of the virtual-state energy for the neutron-neutron systemin the 1 S 0 state, the following values were obtained for the neutron-neutron scattering length and effective range: a nn = -16.59(117) fm and r nn = 2.83(11) fm. The calculated values agree well with present-day experimental results.

  20. Sequential Model-Based Parameter Optimization: an Experimental Investigation of Automated and Interactive Approaches

    NASA Astrophysics Data System (ADS)

    Hutter, Frank; Bartz-Beielstein, Thomas; Hoos, Holger H.; Leyton-Brown, Kevin; Murphy, Kevin P.

    This work experimentally investigates model-based approaches for optimizing the performance of parameterized randomized algorithms. Such approaches build a response surface model and use this model for finding good parameter settings of the given algorithm. We evaluated two methods from the literature that are based on Gaussian process models: sequential parameter optimization (SPO) (Bartz-Beielstein et al. 2005) and sequential Kriging optimization (SKO) (Huang et al. 2006). SPO performed better "out-of-the-box," whereas SKO was competitive when response values were log transformed. We then investigated key design decisions within the SPO paradigm, characterizing the performance consequences of each. Based on these findings, we propose a new version of SPO, dubbed SPO+, which extends SPO with a novel intensification procedure and a log-transformed objective function. In a domain for which performance results for other (modelfree) parameter optimization approaches are available, we demonstrate that SPO+ achieves state-of-the-art performance. Finally, we compare this automated parameter tuning approach to an interactive, manual process that makes use of classical

  1. Concentration dependence of the Flory-Huggins interaction parameter in aqueous solutions of capped PEO chains

    NASA Astrophysics Data System (ADS)

    Chaudhari, M. I.; Pratt, L. R.; Paulaitis, M. E.

    2014-12-01

    The dependence on volume fraction ? of the Flory-Huggins interaction parameter ? wp (?) describing the free energy of mixing of polymers in water is obtained by exploiting the connection of ? wp (?) to the chemical potential of the water, for which quasi-chemical theory is satisfactory. We test this theoretical approach with simulation data for aqueous solutions of capped PEO (polyethylene oxide) oligomers. For CH3(CH2-O-CH2)mCH3 (m = 11), ? wp (?) depends strongly on ?, consistent with experiment. These results identify coexisting water-rich and water-poor solutions at T = 300 K and p = 1 atm. Direct observation of the coexistence of these two solutions on simulation time scales supports that prediction for the system studied. This approach directly provides the osmotic pressures. The osmotic second virial coefficient for these chains is positive, reflecting repulsive interactions between the chains in the water, a good solvent for these chains.

  2. Effect of thermal history on Mossbauer signature and hyperfine interaction parameters of copper ferrite

    NASA Astrophysics Data System (ADS)

    Modi, K. B.; Raval, P. Y.; Dulera, S. V.; Kathad, C. R.; Shah, S. J.; Trivedi, U. N.; Chandra, Usha

    2015-06-01

    Two specimens of copper ferrite, CuFe2O4, have been synthesized by double sintering ceramic technique with different thermal history i.e. slow cooled and quenched. X-ray diffractometry has confirmed single phase fcc spinel structure for slow cooled sample while tetragonal distortion is present in quenched sample. Mossbauer spectral analysis for slow-cooled copper ferrite reveals super position of two Zeeman split sextets along with paramagnetic singlet in the centre position corresponds to delafossite (CuFeO2) phase that is completely absent in quenched sample. The hyperfine interaction parameters are highly influenced by heat treatment employed.

  3. Microscopic calculation of interacting boson model parameters by potential-energy surface mapping

    SciTech Connect

    Bentley, I. [Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Frauendorf, S. [Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556 (United States); ISP, Forschungszentrum Dresden-Rossendorf, Dresden (Germany)

    2011-06-15

    A coherent state technique is used to generate an interacting boson model (IBM) Hamiltonian energy surface which is adjusted to match a mean-field energy surface. This technique allows the calculation of IBM Hamiltonian parameters, prediction of properties of low-lying collective states, as well as the generation of probability distributions of various shapes in the ground state of transitional nuclei, the last two of which are of astrophysical interest. The results for krypton, molybdenum, palladium, cadmium, gadolinium, dysprosium, and erbium nuclei are compared with experiment.

  4. Nucleotides and nucleolipids derivatives interaction effects during multi-lamellar vesicles formation.

    PubMed

    Cuomo, Francesca; Lopez, Francesco; Angelico, Ruggero; Colafemmina, Giuseppe; Ceglie, Andrea

    2008-07-15

    In this paper a micellar interface, constituted by the cationic surfactant CTAB, in presence of 1,2-epoxydodecane and nucleotides was used for catanionic multi-lamellar vesicles (MLVs) formation. The micellar solution of CTAB is able to disperse the 1,2 epoxydodecane in the micellar core promoting the reaction of this reagent with the nucleotide attracted by the positive surface charge of the micellar aggregates. The alkylation of AMP and UMP nucleotides leads to the synthesis of nucleolipids. The behaviour of the supramolecular structures formed depends on the starting reagents (AMP, UMP and AMP+UMP) and on the assembly capabilities of the products. In particular nucleotides and nucleotides derivatives interaction effects are evaluated during the multi-lamellar vesicles formation. NMR spectroscopy and UV-vis measurements performed on MLVs showed strong aryl interactions. Interestingly, NMR spectra revealed prevailing stacking interactions between complementary nucleolipids. The assembly of complementary nucleotides affects the course of the reaction during the MLVs formation. Moreover the MLVs supramolecular stability has been tested by means of turbidity and UV-vis measurements. In particular, an enhanced stability has been found in systems prepared with complementary nucleotides confirming that in these systems the self-assembly process is influenced by nucleolipids interactions. Furthermore by following the hypocromic effect during the micellar catalysis, we showed that even in the earlier stages of the reaction significant differences are detectable. PMID:18337067

  5. Interaction between tachyplesin I, an antimicrobial peptide derived from horseshoe crab, and lipopolysaccharide.

    PubMed

    Kushibiki, Takahiro; Kamiya, Masakatsu; Aizawa, Tomoyasu; Kumaki, Yasuhiro; Kikukawa, Takashi; Mizuguchi, Mineyuki; Demura, Makoto; Kawabata, Shun-ichiro; Kawano, Keiichi

    2014-03-01

    Lipopolysaccharide (LPS) is a major constituent of the outer membrane of Gram-negative bacteria and is the very first site of interactions with antimicrobial peptides (AMPs). In order to gain better insight into the interaction between LPS and AMPs, we determined the structure of tachyplesin I (TP I), an antimicrobial peptide derived from horseshoe crab, in its bound state with LPS and proposed the complex structure of TP I and LPS using a docking program. CD and NMR measurements revealed that binding to LPS slightly extends the two ?-strands of TP I and stabilizes the whole structure of TP I. The fluorescence wavelength of an intrinsic tryptophan of TP I and fluorescence quenching in the presence or absence of LPS indicated that a tryptophan residue is incorporated into the hydrophobic environment of LPS. Finally, we succeeded in proposing a structural model for the complex of TP I and LPS by using a docking program. The calculated model structure suggested that the cationic residues of TP I interact with phosphate groups and saccharides of LPS, whereas hydrophobic residues interact with the acyl chains of LPS. PMID:24389234

  6. Inclusion interactions and molecular microcapsule of Salvia sclarea L. essential oil with ?-cyclodextrin derivatives

    Microsoft Academic Search

    Xiang-Nan Tian; Zi-Tao Jiang; Rong Li

    2008-01-01

    The inclusion interactions of ?-cyclodextrin (?-CD), heptakis (2,6-di-methyl)-?-CD (DM-?-CD), mono[2-O-(2-hydroxyethyl)]-?-CD (2-HE-?-CD), and mono[2-O-(2-hydro-xypropyl)]-?-CD (2-HP-?-CD) with Salvia sclarea L. essential oil (SEO) were investigated by spectrofluorimetry, and the various factors affecting the inclusion process were\\u000a examined in detail. At the same time, the formation constants at different temperatures and the thermodynamic parameters (?H, ?S and ?G) were calculated. The molecular microcapsule

  7. Mean-Field Derivation of the Interacting Boson Model Hamiltonian and Exotic Nuclei

    SciTech Connect

    Nomura, Kosuke; Shimizu, Noritaka [Department of Physics, University of Tokyo, Hongo, Bunkyo-ku, Tokyo, 113-0033 (Japan); Otsuka, Takaharu [Department of Physics, University of Tokyo, Hongo, Bunkyo-ku, Tokyo, 113-0033 (Japan); Center for Nuclear Study, University of Tokyo, Hongo, Bunkyo-ku Tokyo, 113-0033 (Japan); RIKEN, Hirosawa, Wako-shi, Saitama 351-0198 (Japan); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, 48824 Michigan (United States)

    2008-10-03

    A novel way of determining the Hamiltonian of the interacting boson model (IBM) is proposed. Based on the fact that the potential energy surface of the mean-field model, e.g., the Skyrme model, can be simulated by that of the IBM, parameters of the IBM Hamiltonian are obtained. By this method, the multifermion dynamics of surface deformation can be mapped, in a good approximation, onto a boson system. The validity of this process is examined for Sm and Ba isotopes, and an application is presented to an unexplored territory of the nuclear chart, namely, the right lower corner of {sup 208}Pb.

  8. Mean-field derivation of the interacting boson model Hamiltonian and exotic nuclei.

    PubMed

    Nomura, Kosuke; Shimizu, Noritaka; Otsuka, Takaharu

    2008-10-01

    A novel way of determining the Hamiltonian of the interacting boson model (IBM) is proposed. Based on the fact that the potential energy surface of the mean-field model, e.g., the Skyrme model, can be simulated by that of the IBM, parameters of the IBM Hamiltonian are obtained. By this method, the multifermion dynamics of surface deformation can be mapped, in a good approximation, onto a boson system. The validity of this process is examined for Sm and Ba isotopes, and an application is presented to an unexplored territory of the nuclear chart, namely, the right lower corner of 208Pb. PMID:18851521

  9. New Skyrme interaction parameters for a unified description of the nuclear properties

    NASA Astrophysics Data System (ADS)

    Xu, Yongli; Guo, Hairui; Han, Yinlu; Shen, Qingbiao

    2014-01-01

    The nucleon microscopic optical potential is obtained by calculating the mass operator of the one-particle Green function with an effective Skyrme interaction. The real and imaginary part potentials for finite nuclei are given by applying a local density approximation as usual, while the spin-orbit potential is further amended by using the Skyrme-Hartree-Fock approach and relativistic mean field results. The new variants of Skyrme interaction parameters are found by simultaneously fitting the characteristics of nuclear matter, the binding energy, charge radius and single-particle energy levels of double closed shell nuclei, the neutron induced reaction cross sections and polarization data. These data include the total cross sections, nonelastic sections, elastic scattering angular distributions and analyzing powers for the target mass range 24 ? A ? 209 with incident neutron energies below 100 MeV. Further, the Landau parameters are considered to describe the properties of an excited state. The obtained variants of Skyrme forces are used to predict the neutron-actinide reactions with incident energies below 100 MeV. It is found that the calculations can give a satisfactory description of the experimental data. Analogous calculations by the new Skyrme forces are performed to predict the proton induced reactions, which also yield reasonable results.

  10. Concerted mitigation of O···H and C(?)···H interactions prospects sixfold gain in optical nonlinearity of ionic stilbazolium derivatives.

    PubMed

    Cole, Jacqueline M; Lin, Tze-Chia; Edwards, Alison J; Piltz, Ross O; Depotter, Griet; Clays, Koen; Lee, Seung-Chul; Kwon, O-Pil

    2015-03-01

    DAST (4-dimethylamino-N-methyl-4-stilbazolium tosylate) is the most commercially successful organic nonlinear optical (NLO) material for frequency-doubling, integrated optics, and THz wave applications. Its success is predicated on its high optical nonlinearity with concurrent sufficient thermal stability. Many chemical derivatives of DAST have therefore been developed to optimize their properties; yet, to date, none have surpassed the overall superiority of DAST for NLO photonic applications. This is perhaps because DAST is an ionic salt wherein its NLO-active cation is influenced by multiple types of subtle intermolecular forces that are hard to quantify, thus, making difficult the molecular engineering of better functioning DAST derivatives. Here, we establish a model parameter, ?inter, that isolates the influence of intermolecular interactions on second-order optical nonlinearity in DAST and its derivatives, using second-harmonic generation (SHG) as a qualifier; by systematically mapping intercorrelations of all possible pairs of intermolecular interactions to ?inter, we uncover a relationship between concerted intermolecular interactions and SHG output. This correlation reveals that a sixfold gain in the intrinsic second-order NLO performance of DAST is possible, by eliminating the identified interactions. This prediction offers the first opportunity to systematically design next-generation DAST-based photonic device nanotechnology to realize such a prospect. PMID:25654641

  11. Interactive Visual Analytics Approch for Exploration of Geochemical Model Simulations with Different Parameter Sets

    NASA Astrophysics Data System (ADS)

    Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris

    2015-04-01

    Many geoscience applications can benefit from testing many combinations of input parameters for geochemical simulation models. It is, however, a challenge to screen the input and output data from the model to identify the significant relationships between input parameters and output variables. For addressing this problem we propose a Visual Analytics approach that has been developed in an ongoing collaboration between computer science and geoscience researchers. Our Visual Analytics approach uses visualization methods of hierarchical horizontal axis, multi-factor stacked bar charts and interactive semi-automated filtering for input and output data together with automatic sensitivity analysis. This guides the users towards significant relationships. We implement our approach as an interactive data exploration tool. It is designed with flexibility in mind, so that a diverse set of tasks such as inverse modeling, sensitivity analysis and model parameter refinement can be supported. Here we demonstrate the capabilities of our approach by two examples for gas storage applications. For the first example our Visual Analytics approach enabled the analyst to observe how the element concentrations change around previously established baselines in response to thousands of different combinations of mineral phases. This supported combinatorial inverse modeling for interpreting observations about the chemical composition of the formation fluids at the Ketzin pilot site for CO2 storage. The results indicate that, within the experimental error range, the formation fluid cannot be considered at local thermodynamical equilibrium with the mineral assemblage of the reservoir rock. This is a valuable insight from the predictive geochemical modeling for the Ketzin site. For the second example our approach supports sensitivity analysis for a reaction involving the reductive dissolution of pyrite with formation of pyrrothite in presence of gaseous hydrogen. We determine that this reaction is thermodynamically favorable under a broad range of conditions. This includes low temperatures and absence of microbial catalysators. Our approach has potential for use in other applications that involve exploration of relationships in geochemical simulation model data.

  12. alpha(2A)-adrenergic receptor derived peptide adsorbates: a G-protein interaction study.

    PubMed

    Vahlberg, Cecilia; Petoral, Rodrigo M; Lindell, Carina; Broo, Klas; Uvdal, Kajsa

    2006-08-15

    The affinity of alpha(2A)-adrenergic receptor (alpha(2A)-AR) derived peptide adsorbates for the functional bovine brain G-protein is studied in the search for the minimum sequence recognition. Three short peptides (GPR-i2c, GPR-i3n, and GPR-i3c) are designed to mimic the second and third intracellular loops of the receptor. X-ray photoelectron spectroscopy is used to study the chemical composition of the peptides and the binding strength to the surfaces. Chemisorption of the peptides to the gold substrates is observed. Infrared spectroscopy is used to study the characteristic absorption bands of the peptides. The presence of peptides on the surfaces is verified by prominent amide I and amide II bands. The interaction between the peptides and the G-protein is studied with surface plasmon resonance. It is shown that GPR-i3n has the highest affinity for the G-protein. Equilibrium analysis of the binding shows that the G-protein keeps its native conformation when interacting with GPR-i3c, but during the interaction with GPR-i2c and GPR-i3n the conformation of G-protein is changed, leading to the formation of aggregates and/or multilayers. PMID:16893224

  13. Spectroscopic and calorimetric study of DNA interaction with a new series of actinocin derivatives

    NASA Astrophysics Data System (ADS)

    Maleev, V.; Semenov, M.; Kruglova, E.; Bolbukh, T.; Gasan, A.; Bereznyak, E.; Shestopalova, A.

    2003-01-01

    The results of investigations of the physical mechanisms of the interaction with DNA of a new series of biologically active actinocin derivatives with side chains of different length are discussed. The main goal of these studies is to understand the nature of the specificity of interaction between drugs and nucleic acids, taking into account the interaction of the individual components with water molecules. The following experimental physical methods have been used to investigate this problem: UV-Visible spectrophotometry to study different modes of binding of ligands with DNA, infrared spectroscopy and piezogravimetry to give information on the influence of water in the formation of DNA-drug complexes, and differential scanning calorimetry to obtain direct data on the thermostability of such complexes. We have also used the method of computational analysis (Monte Carlo simulations) in order to determine the best molecular models for ligand-DNA complexation. It is expected that the results obtained by these methods will be useful for the rational design of drugs with high biological activity.

  14. Determination of the parameters of a Skyrme type effective interaction using the simulated annealing approach

    E-print Network

    B. K. Agrawal; S. Shlomo; V. Kim Au

    2005-05-27

    We implement for the first time the simulated annealing method (SAM) to the problem of searching for the global minimum in the hyper-surface of the chi-square function which depends on the values of the parameters of a Skyrme type effective nucleon-nucleon interaction. We undertake a realistic case of fitting the values of the Skyrme parameters to an extensive set of experimental data on the ground state properties of many nuclei ranging from normal to exotic ones. The set of experimental data used in our fitting procedure includes the radii for the valence $1d_{5/2}$ and $1f_{7/2}$ neutron orbits in the $^{17}$O and $^{41}$Ca nuclei, respectively, and the breathing mode energies for several nuclei, in addition to the typically used data on binding energy, charge radii and spin-orbit splitting. We also include in the fit the critical density $\\rho_{cr}$ and further constrain the values of the Skyrme parameters by requiring that (i) the quantity $P = 3\\rho \\frac{dS}{d\\rho}$, directly related to the slope of the symmetry energy $S$, must be positive for densities up to $3\\rho_0$ (ii) the enhancement factor $\\kappa$, associated with the isovector giant dipole resonance, should lie in the range of $0.1 - 0.5$ and (iii) the Landau parameter $G_0^\\prime$ is positive at $\\rho = \\rho_0$. We provide simple but consistent schemes to account for the center of mass corrections to the binding energy and charge radii.

  15. ESTIMATES OF GENETIC PARAMETERS AND AN EVALUATION OF GENOTYPE X ENVIRONMENT INTERACTION FOR WEANING WEIGHT IN NELLORE CATTLE

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Records of 105,645 Nellore calves born from 1977 to 1994 in eight different regions of Brazil were used to estimate genetic parameters for weaning weight (kg). The objective of this study was to estimate genetic and environmental parameters and evaluate genotype x environment interaction for weaning...

  16. Differential reconstructed gene interaction networks for deriving toxicity threshold in chemical risk assessment

    PubMed Central

    2013-01-01

    Background Pathway alterations reflected as changes in gene expression regulation and gene interaction can result from cellular exposure to toxicants. Such information is often used to elucidate toxicological modes of action. From a risk assessment perspective, alterations in biological pathways are a rich resource for setting toxicant thresholds, which may be more sensitive and mechanism-informed than traditional toxicity endpoints. Here we developed a novel differential networks (DNs) approach to connect pathway perturbation with toxicity threshold setting. Methods Our DNs approach consists of 6 steps: time-series gene expression data collection, identification of altered genes, gene interaction network reconstruction, differential edge inference, mapping of genes with differential edges to pathways, and establishment of causal relationships between chemical concentration and perturbed pathways. A one-sample Gaussian process model and a linear regression model were used to identify genes that exhibited significant profile changes across an entire time course and between treatments, respectively. Interaction networks of differentially expressed (DE) genes were reconstructed for different treatments using a state space model and then compared to infer differential edges/interactions. DE genes possessing differential edges were mapped to biological pathways in databases such as KEGG pathways. Results Using the DNs approach, we analyzed a time-series Escherichia coli live cell gene expression dataset consisting of 4 treatments (control, 10, 100, 1000 mg/L naphthenic acids, NAs) and 18 time points. Through comparison of reconstructed networks and construction of differential networks, 80 genes were identified as DE genes with a significant number of differential edges, and 22 KEGG pathways were altered in a concentration-dependent manner. Some of these pathways were perturbed to a degree as high as 70% even at the lowest exposure concentration, implying a high sensitivity of our DNs approach. Conclusions Findings from this proof-of-concept study suggest that our approach has a great potential in providing a novel and sensitive tool for threshold setting in chemical risk assessment. In future work, we plan to analyze more time-series datasets with a full spectrum of concentrations and sufficient replications per treatment. The pathway alteration-derived thresholds will also be compared with those derived from apical endpoints such as cell growth rate. PMID:24268022

  17. Topography of nucleic acid helices in solutions. The interaction specificities of optically active amino acid derivatives

    PubMed Central

    Gabbay, Edmond J.; Kleinman, Roberta W.

    1970-01-01

    The synthesis and interactions of the d- and l-enantiomers of the amino acid amide derivatives [Formula: see text] (I) and lysyl dipeptides [Formula: see text] (II) with poly rI·poly rC, poly rA·poly rU and calf thymus DNA is reported. The following results were found. (1) The degree of stabilization of the helices as measured by the Tm (`melting' temperature) of the helix–coil transition was dependent on the nature of the amino acid. (2) For the poly rI·poly rC helix, the l-enantiomers of salts (I) and (II) stabilized more than the d-enantiomers. The same was true for calf thymus DNA in the presence of salts (II) and for poly rA·poly rU in the presence of salts (II) and the proline derivatives of salts (I). (3) As R increased in size and became more apolar, the amount of stabilization of the poly rI·poly rC helix in the presence of salts (I) decreased. On the other hand, the amount of stabilization increased with more polar substituents. An attempt was then made to determine whether the difference in stabilization of the double-stranded helices at the Tm in the presence of the l- and d-enantiomers of salts (I) is due to the interaction with the helix, the random coil or both. A new method was developed for determining the binding of small ions to polyions that involves a competition between an insoluble polystyrene ion-exchange resin and the soluble polyion for the counterion. Dissociation constants are obtained for the complexes of single- and double-stranded helices with the salts (I). The results are illuminating and indicate that with certain helices, i.e. poly rA·poly rU, the interactions of salts (I) with the single strands may not be ignored. It is concluded that the high optical specificity found in Nature, i.e. d-ribose in nucleic acids and l-amino acids in proteins, cannot be attributed solely to monomer–polymer interactions described by Gabbay (1968). PMID:5463261

  18. Polymerase/DNA interactions and enzymatic activity: multi-parameter analysis with electro-switchable biosurfaces.

    PubMed

    Langer, Andreas; Schräml, Michael; Strasser, Ralf; Daub, Herwin; Myers, Thomas; Heindl, Dieter; Rant, Ulrich

    2015-01-01

    The engineering of high-performance enzymes for future sequencing and PCR technologies as well as the development of many anticancer drugs requires a detailed analysis of DNA/RNA synthesis processes. However, due to the complex molecular interplay involved, real-time methodologies have not been available to obtain comprehensive information on both binding parameters and enzymatic activities. Here we introduce a chip-based method to investigate polymerases and their interactions with nucleic acids, which employs an electrical actuation of DNA templates on microelectrodes. Two measurement modes track both the dynamics of the induced switching process and the DNA extension simultaneously to quantitate binding kinetics, dissociation constants and thermodynamic energies. The high sensitivity of the method reveals previously unidentified tight binding states for Taq and Pol I (KF) DNA polymerases. Furthermore, the incorporation of label-free nucleotides can be followed in real-time and changes in the DNA polymerase conformation (finger closing) during enzymatic activity are observable. PMID:26174478

  19. Parameters of Nocilla gas/surface interaction model from measured accomodation coefficients

    NASA Astrophysics Data System (ADS)

    Collins, Frank G.; Knox, E. C.

    1994-04-01

    Free-molecule aerodynamic coefficients are computed for a flat plate surface element at various angles of attack using the normal and tangential accomodation coefficients and the Nocilla model of the gas/surface interaction. The Nocilla model assumes that the molecules reflect from a surface in the form of a drifting Maxwellian with a mean velocity at a specific temperature. The computations use curve fits of the angular variation of the existing measurements of the accomodation coefficients and of the parameters in the Nocilla model. The two methods indicate that a surface element has considerably more lift than predicted by an assumption of diffuse scattering. In other respects the predictions by the two methods do not agree.

  20. Polymerase/DNA interactions and enzymatic activity: multi-parameter analysis with electro-switchable biosurfaces

    PubMed Central

    Langer, Andreas; Schräml, Michael; Strasser, Ralf; Daub, Herwin; Myers, Thomas; Heindl, Dieter; Rant, Ulrich

    2015-01-01

    The engineering of high-performance enzymes for future sequencing and PCR technologies as well as the development of many anticancer drugs requires a detailed analysis of DNA/RNA synthesis processes. However, due to the complex molecular interplay involved, real-time methodologies have not been available to obtain comprehensive information on both binding parameters and enzymatic activities. Here we introduce a chip-based method to investigate polymerases and their interactions with nucleic acids, which employs an electrical actuation of DNA templates on microelectrodes. Two measurement modes track both the dynamics of the induced switching process and the DNA extension simultaneously to quantitate binding kinetics, dissociation constants and thermodynamic energies. The high sensitivity of the method reveals previously unidentified tight binding states for Taq and Pol I (KF) DNA polymerases. Furthermore, the incorporation of label-free nucleotides can be followed in real-time and changes in the DNA polymerase conformation (finger closing) during enzymatic activity are observable. PMID:26174478

  1. Pseudomonas aeruginosa-Candida albicans Interactions: Localization and Fungal Toxicity of a Phenazine Derivative?

    PubMed Central

    Gibson, Jane; Sood, Arpana; Hogan, Deborah A.

    2009-01-01

    Phenazines are redox-active small molecules that play significant roles in the interactions between pseudomonads and diverse eukaryotes, including fungi. When Pseudomonas aeruginosa and Candida albicans were cocultured on solid medium, a red pigmentation developed that was dependent on P. aeruginosa phenazine biosynthetic genes. Through a genetic screen in combination with biochemical experiments, it was found that a P. aeruginosa-produced precursor to pyocyanin, proposed to be 5-methyl-phenazinium-1-carboxylate (5MPCA), was necessary for the formation of the red pigmentation. The 5MPCA-derived pigment was found to accumulate exclusively within fungal cells, where it retained the ability to be reversibly oxidized and reduced, and its detection correlated with decreased fungal viability. Pyocyanin was not required for pigment formation or fungal killing. Spectral analyses showed that the partially purified pigment from within the fungus differed from aeruginosins A and B, two red phenazine derivatives formed late in P. aeruginosa cultures. The red pigment isolated from C. albicans that had been cocultured with P. aeruginosa was heterogeneous and difficult to release from fungal cells, suggesting its modification within the fungus. These findings suggest that intracellular targeting of some phenazines may contribute to their toxicity and that this strategy could be useful in developing new antifungals. PMID:19011064

  2. Correlation of ultrasound contrast agent derived blood flow parameters with immunohistochemical angiogenesis markers in murine xenograft tumor models

    PubMed Central

    Eisenbrey, John R.; Wilson, Christian C.; Ro, Raymond J.; Fox, Traci B; Liu, Ji-Bin; Chiou, See-Ying; Forsberg, Flemming

    2013-01-01

    Purpose In this study we used temporal analysis of ultrasound contrast agent (UCA) wash-in to estimate blood flow dynamics and demonstrate their improved correlation to angiogenesis markers relative to previously reported, non-temporal fractional vascularity estimates. Materials and Methods Breast tumor (NMU) or glioma (C6) cells were implanted in either the abdomen or thigh of 144 rats. After 6, 8 or 10 days, rats received a bolus UCA injection of Optison (GE Healthcare, Princeton, NJ; 0.4ml/kg) during power Doppler imaging (PDI), harmonic imaging (HI), and microflow imaging (MFI) using an Aplio ultrasound scanner with 7.5 MHz linear array (Toshiba America Medical Systems, Tustin, CA). Time-intensity curves of contrast wash-in were constructed on a pixel-by-pixel basis and averaged to calculate maximum intensity, time to peak, perfusion, and time integrated intensity (TII). Tumors were then stained for 4 immunohistochemical markers (bFGF, CD31, COX-2, and VEGF). Correlations between temporal parameters and the angiogenesis markers were investigated for each imaging mode. Effects of tumor model and implant location on these correlations were also investigated. Results Significant correlation over the entire dataset was only observed between TII and VEGF for all three imaging modes (R=?0.35,?0.54,?0.32 for PDI, HI and MFI, respectively; p<0.0001). Tumor type and location affected these correlations, with the strongest correlation of TII to VEGF found to be with implanted C6 cells (R=?0.43,?0.54,?0.52 for PDI, HI and MFI, respectively; p<0.0002). Conclusions While UCA-derived temporal blood flow parameters were found to correlate strongly with VEGF expression, these correlations were also found to be influenced by both tumor type and implant location. PMID:23659876

  3. Derivation and assessment of phase-shifted, disordered vector field models for frustrated solvent interactions

    PubMed Central

    Weber, Jeffrey K.; Pande, Vijay S.

    2013-01-01

    The structure and properties of water at biological interfaces differ drastically from bulk due to effects including confinement and the presence of complicated charge distributions. This non-bulk-like behavior generally arises from water frustration, wherein all favorable interactions among water molecules cannot be simultaneously satisfied. While the frustration of interfacial water is ubiquitous in the cell, the role this frustration plays in mediating biophysical processes like protein folding is not well understood. To investigate the impact of frustration at interfaces, we here derive a general field theoretic model for the interaction of bulk and disordered vector fields at an embedded surface. We calculate thermodynamic and correlation functions for the model in two and three dimensions, and we compare our results to Monte Carlo simulations of lattice system analogs. In our analysis, we see that field-field cross correlations near the interface in the model give rise to a loss in entropy like that seen in glassy systems. We conclude by assessing our theory's utility as a coarse-grained model for water at polar biological interfaces. PMID:23464179

  4. Betulin derivatives impair Leishmania braziliensis viability and host-parasite interaction.

    PubMed

    Alcazar, Wilmer; López, Adrian Silva; Alakurtti, Sami; Tuononen, Maija-Liisa; Yli-Kauhaluoma, Jari; Ponte-Sucre, Alicia

    2014-11-01

    Leishmaniasis is a public health problem in tropical and subtropical areas of the world, including Venezuela. The incidence of treatment failure and the number of cases with Leishmania-HIV co-infection underscore the importance of developing alternative, economical and effective therapies against this disease. The work presented here analyzed whether terpenoids derived from betulin are active against New World Leishmania parasites. Initially we determined the concentration that inhibits the growth of these parasites by 50% or IC50, and subsequently evaluated the chemotactic effect of four compounds with leishmanicidal activity in the sub-micromolar and micromolar range. That is, we measured the migratory capacity of Leishmania (V.) braziliensis in the presence of increasing concentrations of compounds. Finally, we evaluated their cytotoxicity against the host cell and their effect on the infectivity of L. (V.) braziliensis. The results suggest that (1) compounds 14, 17, 18, 25 and 27 are active at concentrations lower than 10 ?M; (2) compound 26 inhibits parasite growth with an IC50 lower than 1 ?M; (3) compounds 18, 26 and 27 inhibit parasite migration at pico- to nanomolar concentrations, suggesting that they impair host-parasite interaction. None of the tested compounds was cytotoxic against J774.A1 macrophages thus indicating their potential as starting points to develop compounds that might affect parasite-host cell interaction, as well as being leishmanicidal. PMID:25240731

  5. Micro-PIXE characterization of interactions between a sol gel derived bioactive glass and biological fluids

    NASA Astrophysics Data System (ADS)

    Lao, J.; Nedelec, J. M.; Moretto, Ph.; Jallot, E.

    2006-04-01

    Bioactive glasses possess the ability to bond to living tissues through the formation of a calcium phosphate-rich layer at their interface with living tissues. This paper reports the different steps of this bioactivity process via a complete micro-PIXE characterization of a sol-gel derived SiO 2-CaO bioactive glass in contact with biological fluids for different delays. Multi-elemental cartography at the glass/biological fluids interface together with major and trace elements quantification permit a better understanding of the five reaction stages involved in the bioactivity mechanisms. The presence of phosphorus was detected at the periphery of the material within 6 h of interaction with biological fluids. A calcium phosphate-rich layer containing magnesium is formed after a few days of interaction and presence of bone-like apatite is deduced from the calculation of the Ca/P ratio at the material interface. That is of deep interest for clinical applications, because this biologically active behavior results in the formation of a strong interfacial bond between the glass and host tissues, and will stimulate bone-cell proliferation.

  6. Coulomb interaction parameters in bcc iron: an LDA+DMFT study

    NASA Astrophysics Data System (ADS)

    Belozerov, A. S.; Anisimov, V. I.

    2014-09-01

    We study the influence of Coulomb interaction parameters on electronic structure and magnetic properties of paramagnetic bcc Fe by means of the local density approximation plus dynamical mean-field theory approach. We consider the local Coulomb interaction in the density-density form as well as in the form with spin rotational invariance approximated by averaging over all directions of the quantization axis. Our results indicate that the magnetic properties of bcc Fe are mainly affected by the Hund's rule coupling J rather than by the Hubbard U. By employing the constrained density functional theory approach in the basis of Wannier functions of spd character, we obtain U = 4 eV and J = 0.9 eV. In spite of the widespread belief that U = 4 eV is too large for bcc Fe, our calculations with the obtained values of U and J result in a satisfactory agreement with the experiment. The correlation effects caused by U are found to be weak even for large U = 6 eV. The agreement between the calculated and experimental Curie temperatures is further improved if J is reduced to 0.8 eV. However, with the decrease of J, the effective local magnetic moment moves further away from the experimental value.

  7. Monte Carlo and experimental derivation of TG43 dosimetric parameters for CSM-type Cs-137 sources

    SciTech Connect

    Perez-Calatayud, J.; Granero, D.; Casal, E.; Ballester, F.; Puchades, V. [Department of Atomic, Molecular and Nuclear Physics and IFIC, University of Valencia-CSIC, Burjassot (Spain); Grupo IMO-SFA, Madrid (Spain)

    2005-01-01

    In this study, complete dosimetric datasets for the CSM2 and CSM3 Cs-137 sources were obtained using the Monte Carlo GEANT4 code. The application of this calculation method was experimentally validated with thermoluminescent dosimetry (TLD). Functions and parameters following the TG43 formalism are presented: the dose rate constant, the radial dose functional, and the anisotropy function. In addition, to aid the quality control process on treatment planning systems, a two-dimensional (2D) rectangular dose rate table (the traditional along-away table), coherent with the TG43 dose calculation formalism, is given. The data given in this study complement existing information for both sources on the following aspects: (i) the source asymmetries were considered explicitly in the Monte Carlo calculations, (ii) TG43 data were derived directly from Monte Carlo calculations, (iii) the radial range of the different tables was increased as well as the angular resolution in the anisotropy function, including angles close to the longitudinal source axis. The CSM2 source TG-43 data of Liu et al. [Med. Phys. 31, 477-483 (2004)] are not consistent with the Williamson 2D along-away data [Int. J. Radiat. Oncol., Biol., Phys. 15, 227-237 (1988)] at distances closer than approximately 2 cm from the source. The data presented here for this source are consistent with this 2D along-away table, and are suitable for use in clinical practice.

  8. Monte Carlo and experimental derivation of TG43 dosimetric parameters for CSM-type Cs-137 sources.

    PubMed

    Pérez-Calatayud, J; Granero, D; Casal, E; Ballester, F; Puchades, V

    2005-01-01

    In this study, complete dosimetric datasets for the CSM2 and CSM3 Cs-137 sources were obtained using the Monte Carlo GEANT4 code. The application of this calculation method was experimentally validated with thermoluminescent dosimetry (TLD). Functions and parameters following the TG43 formalism are presented: the dose rate constant, the radial dose functional, and the anisotropy function. In addition, to aid the quality control process on treatment planning systems, a two-dimensional (2D) rectangular dose rate table (the traditional along-away table), coherent with the TG43 dose calculation formalism, is given. The data given in this study complement existing information for both sources on the following aspects: (i) the source asymmetries were considered explicitly in the Monte Carlo calculations, (ii) TG43 data were derived directly from Monte Carlo calculations, (iii) the radial range of the different tables was increased as well as the angular resolution in the anisotropy function, including angles close to the longitudinal source axis. The CSM2 source TG-43 data of Liu et al. [Med. Phys. 31, 477-483 (2004)] are not consistent with the Williamson 2D along-away data [Int. J. Radiat. Oncol., Biol., Phys. 15, 227-237 (1988)] at distances closer than approximately 2 cm from the source. The data presented here for this source are consistent with this 2D along-away table, and are suitable for use in clinical practice. PMID:15719951

  9. Juxtacrine and paracrine interactions of rat marrow-derived mesenchymal stem cells, muscle-derived satellite cells, and neonatal cardiomyocytes with endothelial cells in angiogenesis dynamics.

    PubMed

    Rahbarghazi, Reza; Nassiri, Seyed Mahdi; Khazraiinia, Parvaneh; Kajbafzadeh, Abdol-Mohammad; Ahmadi, Seyed Hossein; Mohammadi, Elham; Molazem, Mohammad; Zamani-Ahmadmahmudi, Mohamad

    2013-03-15

    Research into angiogenesis has contributed to progress in the fast-moving field of regenerative medicine. Designing coculture systems is deemed a helpful method to understand the dynamic interaction of various cells involved in the angiogenesis process. We investigated the juxtacrine and paracrine interaction between 3 different cells, namely rat marrow-derived mesenchymal stem cells (rMSCs), rat muscle-derived satellite cells (rSCs), and rat neonatal cardiomyocytes (rCMs), and endothelial cells (ECs) during angiogenesis process. In vitro Matrigel angiogenesis assay was performed whereby ECs were monocultured or cocultured with rMSCs, rSCs, and rCMs or their conditioned media (CM). In addition, in vivo Matrigel plug assay for angiogenesis was conducted to assess the angiogenic potential of the rCM-, rMSC-, and rSC-derived CM. Our results demonstrated that the rMSCs, rSCs, and rCMs elongated along the EC tubules, whereas the rMSCs formed tube-like structures with sprouting tip cells, leading to improved angiogenesis in the coculture system. Moreover, the rMSC- and rSC-derived CM significantly improved angiogenesis tube formation on Matrigel, accelerated EC chemotaxis, and increased the arteriolar density, vascularization index, and vascularization flow index in the Matrigel plug in vivo. Western blotting showed that rMSCs secreted a high level of vascular endothelial growth factor, basic fibroblast growth factor, and stromal-derived factor-1-alpha. Tie2 is also shed from rMSCs. This study demonstrated that stem cells interact with ECs in the juxtacrine and paracrine manner during angiogenesis, and marrow MSCs have superior angiogenic properties. PMID:23072248

  10. Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations.

    PubMed

    Bandura, A V; Sofo, J O; Kubicki, J D

    2006-04-27

    Plane-wave density functional theory (DFT-PW) calculations were performed on bulk SnO2 (cassiterite) and the (100), (110), (001), and (101) surfaces with and without H2O present. A classical interatomic force field has been developed to describe bulk SnO2 and SnO2-H2O surface interactions. Periodic density functional theory calculations using the program VASP (Kresse et al., 1996) and molecular cluster calculations using Gaussian 03 (Frisch et al., 2003) were used to derive the parametrization of the force field. The program GULP (Gale, 1997) was used to optimize parameters to reproduce experimental and ab initio results. The experimental crystal structure and elastic constants of SnO2 are reproduced reasonably well with the force field. Furthermore, surface atom relaxations and structures of adsorbed H2O molecules agree well between the ab initio and force field predictions. H2O addition above that required to form a monolayer results in consistent structures between the DFT-PW and classical force field results as well. PMID:16623524

  11. Halogen-bond and hydrogen-bond interactions between three benzene derivatives and dimethyl sulphoxide.

    PubMed

    Zheng, Yan-Zhen; Wang, Nan-Nan; Zhou, Yu; Yu, Zhi-Wu

    2014-04-21

    Halogen-bonds, like hydrogen-bonds, are a kind of noncovalent interaction and play an important role in diverse fields including chemistry, biology and crystal engineering. In this work, a comparative study was carried out to examine the halogen/hydrogen-bonding interactions between three fluoro-benzene derivatives and dimethyl sulphoxide (DMSO). A number of conclusions were obtained by using attenuated total reflection infrared spectroscopy (ATR-IR), nuclear magnetic resonance (NMR) and ab initio calculations. Electrostatic surface potential, geometry, energy, vibrational frequency, intensity and the natural population analysis (NPA) of the monomers and complexes are studied at the MP2 level of theory with the aug-cc-pVDZ basis set. First, the interaction strength decreases in the order C6F5H-DMSO ? ClC6F4H-DMSO > C6F5Cl-DMSO, implying that the hydrogen-bond is stronger than the halogen-bond in the systems and, when interacting with ClC6F4H, DMSO favors the formation of a hydrogen-bond rather than a halogen-bond. Second, attractive energy dependences on 1/r(3.3) and 1/r(3.1) were established for the hydrogen-bond and halogen-bond, respectively. Third, upon the formation of a hydrogen-bond and halogen-bond, there is charge transfer from DMSO to the hydrogen-bond and halogen-bond donor. The back-group CH3 was found to contribute positively to the stabilization of the complexes. Fourth, an isosbestic point was detected in the ?(C-Cl) absorption band in the C6F5Cl-DMSO-d6 system, indicating that there exist only two dominating forms of C6F5Cl in binary mixtures; the non-complexed and halogen-bond-complexed forms. The presence of stable complexes in C6F5H-DMSO and ClC6F4H-DMSO systems are evidenced by the appearance of new peaks with fixed positions. PMID:24595314

  12. Hydroxy-tryptophan containing derivatives of tritrpticin: modification of antimicrobial activity and membrane interactions.

    PubMed

    Arias, Mauricio; Jensen, Katharine V; Nguyen, Leonard T; Storey, Douglas G; Vogel, Hans J

    2015-01-01

    Tritrpticin is an antimicrobial peptide with a strong microbicidal activity against Gram-positive and Gram-negative bacteria as well as fungi. The 13-residue peptide is essentially symmetrical and possesses a unique cluster of three Trp residues near the center of its amino acid sequence. The mechanism of action of tritrpticin is believed to involve permeabilization of the cytoplasmic membrane of susceptible bacteria. However it has been suggested that intracellular targets may also play a role in its antimicrobial activity. In this work the mechanism of action of several tritrpticin derivatives was studied through substitution of the three Trp residues with 5-hydroxy-tryptophan (5OHW), a naturally occurring non-ribosomal amino acid. Although it is more polar, 5OHW preserves many of the biophysical and biochemical properties of Trp, allowing the use of fluorescence spectroscopy and NMR techniques to study the interaction of the modified peptides with membrane mimetics. Single or triple 5OHW substitution did not have a large effect on the MIC of the parent peptide against Escherichia coli and Bacillus subtilis. However, the mechanism of action was altered by simultaneously replacing all three Trp with 5OHW. Our results suggest that the inner membrane of Gram-negative bacteria did not constitute the main target of this particular tritrpticin derivative. Since the addition of a hydroxyl group to the indole motif of the Trp residue was able to modify the mechanism of action of the peptides, our data confirm the importance of the Trp cluster in tritrpticin. This work also shows that 5OHW constitutes a new probe to modulate the antimicrobial activity and mechanism of action of other Trp-rich antimicrobial peptides. PMID:25178967

  13. A compilation of rate parameters of water-mineral interaction kinetics for application to geochemical modeling

    USGS Publications Warehouse

    Palandri, James L.; Kharaka, Yousif K.

    2004-01-01

    Geochemical reaction path modeling is useful for rapidly assessing the extent of water-aqueous-gas interactions both in natural systems and in industrial processes. Modeling of some systems, such as those at low temperature with relatively high hydrologic flow rates, or those perturbed by the subsurface injection of industrial waste such as CO2 or H2S, must account for the relatively slow kinetics of mineral-gas-water interactions. We have therefore compiled parameters conforming to a general Arrhenius-type rate equation, for over 70 minerals, including phases from all the major classes of silicates, most carbonates, and many other non-silicates. The compiled dissolution rate constants range from -0.21 log moles m-2 s-1 for halite, to -17.44 log moles m-2 s-1 for kyanite, for conditions far from equilibrium, at 25 ?C, and pH near neutral. These data have been added to a computer code that simulates an infinitely well-stirred batch reactor, allowing computation of mass transfer as a function of time. Actual equilibration rates are expected to be much slower than those predicted by the selected computer code, primarily because actual geochemical processes commonly involve flow through porous or fractured media, wherein the development of concentration gradients in the aqueous phase near mineral surfaces, which results in decreased absolute chemical affinity and slower reaction rates. Further differences between observed and computed reaction rates may occur because of variables beyond the scope of most geochemical simulators, such as variation in grain size, aquifer heterogeneity, preferred fluid flow paths, primary and secondary mineral coatings, and secondary minerals that may lead to decreased porosity and clogged pore throats.

  14. Effect of arterial proteoglycans on the interaction of LDL with human monocyte-derived macrophages.

    PubMed

    Hurt, E; Camejo, G

    1987-10-01

    The effect of human arterial proteoglycans (PG1) on the interaction of low density lipoprotein (LDL) with cultured human monocyte-derived macrophages (HMDM) was studied. LDL was insolubilized by treatment with chondroitin-6-sulfate-rich, partially purified PG1. The LDL, resolubilized in culture medium, was added to HMDM. The PG1 pretreated LDL induced lipid accumulation in the HMDM, converting them into foam cells. Mass determination of lipids by spectrophotometric and chromatographic procedures showed a 2-4-fold accumulation of triglycerides, phospholipids, unesterified cholesterol and cholesterol esters in 48 h, in the HMDM incubated with PG pretreated LDL, when compared to those incubated with native LDL. Incorporation of [14C]oleic acid into the HMDM lipid esters correlated with the accumulation. Association of 125I-labeled LDL and of fluorescent labeled LDL (3,3-octadecyl indocarbocyanine) to HMDM also indicated that the PG1-pretreatment of LDL increased its uptake. Density gradient centrifugation, isoelectric focusing and electron microscopy showed that, when added to the cells, the PG1 pretreated LDL was not aggregated or altered in its surface charge. However, controlled trypsin treatment and polypeptide pattern analysis indicate that the accessibility of apoB has been altered. The results suggest that changes in the surface of LDL, induced by the arterial PG1, lead to increased endocytosis of the lipoprotein and stimulation of lipid synthesis in the macrophages. The possibility that a similar process may cause lipid accumulation in arterial macrophages is discussed. PMID:3675709

  15. Spontaneous H2 loss through the interaction of squaric acid derivatives and BeH2.

    PubMed

    Montero-Campillo, M Merced; Yáñez, Manuel; Lamsabhi, Al Mokhtar; Mó, Otilia

    2014-04-25

    The most stable complexes between squaric acid and its sulfur- and selenium-containing analogues (C4X4H2 ; X = O, S, Se) with BeY2 (Y = H, F) were studied by means of the Gaussian?04 (G4) composite ab initio theory. Squaric acid derivatives are predicted to be very strong acids in the gas phase; their acidity increases with the size of the chalcogen, with C4Se4H2 being the strongest acid of the series and stronger than sulfuric acid. The relative stability of the C4X4H2?BeY2 (X = O, S, Se; Y = H, F) complexes changes with the nature of the chalcogen atom; but more importantly, the formation of the C4X4H2?BeF2 complexes results in a substantial acidity enhancement of the squaric moiety owing to the dramatic electron-density redistribution undergone by the system when the beryllium bond is formed. The most significant consequence of this acidity enhancement is that when BeF2 is replaced by BeH2, a spontaneous exergonic loss of H2 is observed regardless of the nature of the chalcogen atom. This is another clear piece of evidence of the important role that closed-shell interactions play in the modulation of physicochemical properties of the Lewis acid and/or the Lewis base. PMID:24665080

  16. Interaction of antimicrobial preservatives with blow-fill-seal packs: correlating sorption with solubility parameters.

    PubMed

    Amin, Aeshna; Dare, Manish; Sangamwar, Abhay; Bansal, Arvind Kumar

    2012-01-01

    The aim of this work was to study the interaction of four commonly used ophthalmic antimicrobial preservatives [benzyl alcohol (BA), chlorbutol (CBL), benzalkonium chloride (BKC), and chlorhexidine gluconate (CG)] with Blow-Fill-Seal (BFS) packs. Effect of packaging material [low-density polyethylene (LDPE), polypropylene (PP)], humidity (25% RH, 75% RH) and concentration (0.5, 1.0, 2.0 mM BA/CBL in LDPE) was studied. BKC and CG gave negligible loss (<4%) in BFS packs over a period of 3 months. BA and CBL, however, gave marked losses in LDPE (ca. 70-90%) and PP (ca. 7-25%) packs. Humidity did not have any effect on the sorption loss of any preservative. Loss of BA switched from Case II to anomalous behavior with increasing initial concentration. A two-stage sorption behavior was inherent at all concentrations. Loss of CBL followed anomalous behavior with biphasic kinetics of loss. It was concluded that all the four preservatives were appropriate for use in PP BFS packs. However, only BKC and CG were amenable to be used in LDPE BFS packs. Lastly, an empirical expression consisting of the "solubility parameter distance" and "molar volume" of preservatives was developed to correlate the preservative loss in LDPE with the physicochemical properties of the preservatives. PMID:21428703

  17. Interaction Parameters in Metallic Solutions Estimated from Liquid Structure and the Heat of Solution at Infinite Dilution

    NASA Astrophysics Data System (ADS)

    Waseda, Yoshio

    2012-06-01

    The interaction parameters have been calculated for 120 ferrous alloy solutions using the pseudo-potential formalism coupled with the free energy of the hard sphere model. An agreement between calculation and experimental data appears to be reasonable with the 83%reliability in predicting the correct sign. The interaction parameters of oxygen in silicon melt were also estimated for 10 minor elements. The results, obtained only from some fundamental physical constants as inputs, are found to be useful in making qualitative discussion about the solubility of the desired element in metallic solutions.

  18. Measurement of the Michel Parameter xi" in Polarized Muon Decay and Implications on Exotic Couplings of the Leptonic Weak Interaction

    E-print Network

    R. Prieels; O. Naviliat-Cuncic; P. Knowles; P. Van Hove; X. Morelle; J. Egger; J. Deutsch; J. Govaerts; W. Fetscher; K. Kirch; J. Lang

    2014-08-07

    The Michel parameter xi" has been determined from a measurement of the longitudinal polarization of positrons emitted in the decay of polarized and depolarized muons. The result, xi" = 0.981 +- 0.045stat +- 0.003syst, is consistent with the Standard Model prediction of unity, and provides an order of magnitude improvement in the relative precision of this parameter. This value sets new constraints on exotic couplings beyond the dominant V-A description of the leptonic weak interaction.

  19. Interaction of several mono- and dihydroxybenzene derivatives of various depigmenting potencies with L-3,4-dihydroxyphenylalanine-melanin.

    PubMed

    Menter, J M; Willis, I

    1986-02-01

    Certain mono- and dihydroxybenzene derivatives cause depigmentation of skin and hair, and appear to be selectively cytotoxic for melanized pigment cells. As direct physical and/or chemical interaction between depigmenter (DP) and pigment melanin may play a role in depigmentation, we have carried out preliminary studies in model systems where such interactions may easily be separated from effects due to tyrosinase, melanosomal proteins, and other components. We have used synthetic L-3,4-hydroxyphenylalanine (L-DOPA)-melanin as a protein-free model pigment and potassium ferricyanide as a model electron acceptor. Compounds studied were catechol, 4-t-butylcatechol, 4-methylcatechol, 3,4-dihydroxyphenylalanine (DOPA), 3,4-dihydroxyphenylacetic acid, hydroquinone, 4-methoxyphenol, 4-t-butylphenol, and 2,6, di-t-butyl-4-methylphenol (BHT) in 0.1 M phosphate buffer, pH 7.4. These compounds vary widely in their ability to depigment hair and skin. Ferricyanide reduction by DP in the presence and absence of melanin was monitored spectrophotometrically. The sparingly soluble BHT and 4-t-butylphenol did not reduce ferricyanide in the absence or presence of melanin. For the other compounds, kinetic analysis demonstrated direct interaction between each DP and melanin. Except for dihydroxyphenylacetic acid, reduction kinetics were consistent with a mechanism involving noninteractive binding of both DP and ferricyanide to melanin prior to coupled electron transfer through the melanin backbone. Kinetic analysis afforded KB, a thermodynamic constant (M-1) for DP-melanin binding, and k', a rate parameter (M s-1) for electron transfer. A dimensionless enhancement factor (EF) was defined as k'KB/ks, with ks a pseudo-first-order constant (s-1) for ferricyanide reduction in the absence of melanin. Depending on the reductant, melanin either retards (EF less than 1) or accelerates (EF greater than 1) the rate of ferricyanide reduction. There appears to be a direct relationship between EF and depigmenting potency. There is no relationship between depigmenting power and the ability per se of the DP to bind to melanin or to reduce ferricyanide. PMID:3080956

  20. INTERSTELLAR GAS FLOW PARAMETERS DERIVED FROM INTERSTELLAR BOUNDARY EXPLORER-Lo OBSERVATIONS IN 2009 AND 2010: ANALYTICAL ANALYSIS

    SciTech Connect

    Moebius, E.; Bochsler, P.; Heirtzler, D.; Kucharek, H.; Lee, M. A.; Leonard, T.; Schwadron, N. A.; Wu, X.; Petersen, L.; Valovcin, D.; Wurz, P. [Space Science Center and Department of Physics, University of New Hampshire, Durham, NH 03824 (United States); Bzowski, M.; Kubiak, M. A. [Space Research Centre, Polish Academy of Sciences, Warsaw (Poland); Fuselier, S. A. [Lockheed Martin Advanced Technology Laboratory, Palo Alto, CA (United States); Crew, G.; Vanderspek, R. [Massachusetts Institute of Technology, Cambridge, MA (United States); McComas, D. J. [Southwest Research Institute, San Antonio, TX (United States); Saul, L. [Physikalisches Institut, Universitaet Bern, Bern (Switzerland)

    2012-02-01

    Neutral atom imaging of the interstellar gas flow in the inner heliosphere provides the most detailed information on physical conditions of the surrounding interstellar medium (ISM) and its interaction with the heliosphere. The Interstellar Boundary Explorer (IBEX) measured neutral H, He, O, and Ne for three years. We compare the He and combined O+Ne flow distributions for two interstellar flow passages in 2009 and 2010 with an analytical calculation, which is simplified because the IBEX orientation provides observations at almost exactly the perihelion of the gas trajectories. This method allows separate determination of the key ISM parameters: inflow speed, longitude, and latitude, as well as temperature. A combined optimization, as in complementary approaches, is thus not necessary. Based on the observed peak position and width in longitude and latitude, inflow speed, latitude, and temperature are found as a function of inflow longitude. The latter is then constrained by the variation of the observed flow latitude as a function of observer longitude and by the ratio of the widths of the distribution in longitude and latitude. Identical results are found for 2009 and 2010: an He flow vector somewhat outside previous determinations ({lambda}{sub ISM{infinity}} = 79.{sup 0}0+3.{sup 0}0(-3.{sup 0}5), {beta}{sub ISM{infinity}} = -4.{sup 0}9 {+-} 0.{sup 0}2, V{sub ISM{infinity}} 23.5 + 3.0(-2.0) km s{sup -1}, T{sub He} = 5000-8200 K), suggesting a larger inflow longitude and lower speed. The O+Ne temperature range, T{sub O+Ne} = 5300-9000 K, is found to be close to the upper range for He and consistent with an isothermal medium for all species within current uncertainties.

  1. Effect of Intermolecular Hydrogen Bonding on the Nuclear Quadrupole Interaction in Imidazole and its Derivatives as Studied by ab initio Molecular Orbital Calculations

    NASA Astrophysics Data System (ADS)

    Nakamura, Nobuo; Masui, Hirotsugo; Ueda, Takahiro

    2000-02-01

    Ab initio Hartree-Fock molecular orbital calculations were applied to the crystalline imidazole and its derivatives in order to examine systematically the effect of possible N-H---N type hydrogen bond-ing on the nuclear quadrupole interaction parameters in these materials. The nitrogen quadrupole coupling constant (QCC) and the asymmetry parameter (?) of the electric field gradient (EFG) were found to depend strongly on the size of the molecular clusters, from single molecule, to dimer, trimer and to the infinite molecular chain, i.e., crystalline state, implying that the intermolecular N-H -N hydrogen bond affects significantly the electronic structure of imidazole molecule. A certain correla-tion between the QCC of 14N and the N-H bond distance R was also found and interpreted on the basis of the molecular orbital theory. However, we found that the value of the calculated EFG at the hy-drogen position of the N-H group, or the corresponding QCC value of 2 H, increases drastically as R-3 when R is shorter than about 0.1 nm, due probably to the inapplicability of the Gaussian basis sets to the very short chemical bond as revealed in the actual imidazole derivatives. We suggested that the ob-served N-H distances in imidazole derivatives should be re-examined.

  2. Optical performance monitoring of PSK data channels using artificial neural networks trained with parameters derived from delay-tap asynchronous diagrams via balanced detection

    Microsoft Academic Search

    Xiaoxia Wu; J. A. Jargon; Zhensheng Jia; L. Paraschis; R. A. Skoog; A. E. Willner

    2009-01-01

    We demonstrate a technique of using artificial neural networks for optical performance monitoring of PSK data signals. Parameters for training are derived from delay-tap asynchronous diagrams using balanced detection. We also compare the results with the case of using direct detection.

  3. Time-series terrestrial parameters derived from NOAA/AVHRR, SPOT/VEGETATION, TERRA, or AQUA/MODIS data, such as

    E-print Network

    Liang, Shunlin

    Abstract Time-series terrestrial parameters derived from NOAA/AVHRR, SPOT/VEGETATION, TERRA the contaminated data from time-series observations, which can effectively maintain the temporal pattern and approximate the "true" signals. The method is composed of two steps: (a), time- series values are linearly

  4. Path-integral solution for a two-dimensional model with axial-vector-current--pseudoscalar derivative interaction

    SciTech Connect

    Botelho, L.C.L.

    1985-03-15

    We study a two-dimensional quantum field model with axial-vector-current--pseudoscalar derivative interaction using path-integral methods. We construct an effective Lagrangian by performing a chiral change in the fermionic variables leading to an exact solution of the model.

  5. Psoralen derivatives as inhibitors of NF-[Formula: see text] interaction: the critical role of the furan ring.

    PubMed

    Marzaro, Giovanni; Lampronti, Ilaria; Borgatti, Monica; Manzini, Paolo; Gambari, Roberto; Chilin, Adriana

    2015-08-01

    Simplified analogues of previously reported NF-[Formula: see text] interaction inhibitors, lacking the furan moiety, were synthesized and evaluated by performing experiments based on electrophoretic mobility shift assay (EMSA). The synthetic modifications led to simpler coumarin derivatives with lower activity allowing to better understand the minimal structural requirement for the binding to NF-[Formula: see text]. PMID:25869956

  6. Interactions of acyclic and cyclic bis-phenanthridinium derivatives with ss-and ds-polynucleotidesq,qq

    E-print Network

    Cudic, Predrag

    Interactions of acyclic and cyclic bis-phenanthridinium derivatives with ss- and ds-intercalative binding to ds-polynucleotides, while a mixed mode of binding with 2 is shown to strongly dependent on the base composition and tertiary structure of ds-DNA and RNA. The cyclic analogue 3 binds to ds

  7. Adhesive interactions between CD34 + -derived dendritic cell precursors and dermal microvascular endothelial cells studied by scanning electron microscopy

    Microsoft Academic Search

    Van Anh Nguyen; Martin Kirchmair; Christina Fürhapter; Nikolaus Romani; Norbert Sepp

    2004-01-01

    Dendritic cells are migratory cells. Before they extravasate from the circulation into the skin across capillary blood vessel walls, they have to interact with endothelial cells. Using a fluorimetric adhesion assay, we have recently shown that CD34 +-derived dendritic cell precursors are able to bind to resting and stimulated dermal microvascular endothelial cells. In the present study, we attempted to

  8. Diurnal Variability of Regional Cloud and Clear-Sky Radiative Parameters Derived from GOES Data. Part III: November 1978 Radiative Parameters

    Microsoft Academic Search

    Patrick Minnis; Edwin F. Harrison

    1984-01-01

    The diurnal variability of the radiation emitted and reflected from the earth-atmosphere is investigated at the regional scale using November 1978 GOES-East visible and infrared data and GOES-derived cloud information. Narrowband GOES data are converted to broadband radiances using spectral calibration functions determined empirically from colocated Nimbus-7 ERB and GOES-East measurements over ocean, land and cloud surfaces. Shortwave radiances are

  9. CONTROL OF LASER RADIATION PARAMETERS: Tunable acousto-optic filters with the multiple interaction of light and sound

    NASA Astrophysics Data System (ADS)

    Voloshinov, V. B.; Magdich, L. N.; Knyazev, G. A.

    2005-11-01

    Optical multipass schemes of the interaction of light and sound, which are promising for filtration of optical beams based on tunable acousto-optic filters, are studied. The features of operation of acousto-optic filters in the rejection and transmission regimes are considered. It is proved theoretically and confirmed experimentally that the use of multiple interaction improves the spectral and energy parameters of acousto-optic devices. The collinear and transverse geometry of acousto-optic interaction in cells based on a paratellurite crystal is studied in the double-pass, three-pass, and multipass diffraction regimes.

  10. A genetic hill climbing method for function optimization using a neighborhood based on interactions among parameters

    Microsoft Academic Search

    Hiroshi Takeichi; Naoaki Mizuguchi; I. Ono; N. Ono

    2003-01-01

    Most conventional genetic algorithms (GAs) for function optimization always search all parameters simultaneously. As the result, the search space size increases exponentially with the number of parameters. Therefore, the search efficiency of these GAs deteriorates in high-dimensional function optimization because they requires a huge population size and enormous computation time. Generally, in order to find the optima, if a parameter

  11. Plasma-derived mannose-binding lectin shows a direct interaction with C1-inhibitor.

    PubMed

    Keizer, Mischa P; Kamp, Angela M; Brouwer, Nannette; van de Wetering, Marianne D; Wouters, Diana; Kuijpers, Taco W

    2014-04-01

    MBL-deficiency has been associated with an increased frequency and severity of infection, in particular in children and under immunocompromized conditions. In an open uncontrolled safety and pharmacokinetic MBL-substitution study using plasma-derived MBL (pdMBL) in MBL-deficient pediatric oncology patients, we found that despite MBL trough levels above 1.0?g/ml MBL functionality was not efficiently restored upon ex vivo testing. PdMBL showed C4-converting activity by itself, indicating the presence of MASPs. Upon incubation of pdMBL with MBL-deficient sera this C4-converting activity was significantly reduced. Depletion of the MASPs from pdMBL, paradoxically, restored the C4-converting activity. Subsequent depletion or inhibition of C1-inh, the major inhibitor of the lectin pathway, in the recipient serum restored the C4-converting activity as well. Complexes between MBL/MASPs and C1-inh (MMC-complexes) were detected after ex vivo substitution of MBL-deficient serum with pdMBL. These MMC-complexes could also be detected in the sera of the patients included in the MBL-substitution study shortly after pdMBL infusion. Altogether, we concluded that active MBL-MASP complexes in pdMBL directly interact with C1-inh in the recipient, leading to the formation of a multimolecular complex between C1-inh and MBL/MASPs, in contrast to the classical pathway where C1r and C1s are dissociated from C1q by C1-inh. Because of the presence of activated MASPs in the current pdMBL products efficient MBL-mediated host protection cannot be expected because of the neutralizing capacity by C1-inh. PMID:24368318

  12. The application of parameter estimation to flight measurements to obtain lateral-directional stability derivatives of an augmented jet-flap STOL airplane

    NASA Technical Reports Server (NTRS)

    Stephenson, J. D.

    1983-01-01

    Flight experiments with an augmented jet flap STOL aircraft provided data from which the lateral directional stability and control derivatives were calculated by applying a linear regression parameter estimation procedure. The tests, which were conducted with the jet flaps set at a 65 deg deflection, covered a large range of angles of attack and engine power settings. The effect of changing the angle of the jet thrust vector was also investigated. Test results are compared with stability derivatives that had been predicted. The roll damping derived from the tests was significantly larger than had been predicted, whereas the other derivatives were generally in agreement with the predictions. Results obtained using a maximum likelihood estimation procedure are compared with those from the linear regression solutions.

  13. Pulse radiolysis studies of the interaction of tea polyphenol derivatives with oxidizing oh adduct of thymine

    NASA Astrophysics Data System (ADS)

    Yue, Jiang; Hu-Cheng, Li; Si-de, Yao; Zhi-hua, Zuo; Zai-Lan, Wang; Jia-Shan, Zhang; Nian-Yun, Lin

    1996-09-01

    The electron transfer reactions between oxidizing OH adduct of thymine with tea polyphenol derivatives has been investigated by pulse radiolysis. The tea polyphenol derivatives are identified as good antioxidants for reduction of oxidizing OH adducts of thymne. From buildup kinetic analysis of radical phenoxyl product, the rate constants for reactions of the N 3 radical with tea polyphenol derivatives have been determined to be (8-9) x 10 9 dm 3/mol s, while the rate constants of electron transfer from tea polyphenol derivatives to oxidizing OH adducts of thymine was obtained to be around 10 9 dm 3/mol s.

  14. Interactions between glycine derivatives and mineral surfaces: Implications for the origins of life on planetary surfaces

    NASA Astrophysics Data System (ADS)

    Marshall-Bowman, K. J.; Cleaves, H. J.; Sverjensky, D. A.; Hazen, R. M.

    2009-12-01

    Various mechanisms could have delivered amino acids to the prebiotic Earth (Miller and Orgel 1974). The polymerization of amino acids may have been important for the origin of life, as peptides may have been components for the first self-replicating systems (Kauffman 1971; Yao et al 1998). Though amino acid concentrations in the primitive oceans were likely too dilute for significant oligomerization to occur (Cleaves et al 2009), mineral surface adsorption may have concentrated these biomolecules (Bernal 1951; Lambert 2008). Few studies have examined the catalytic effects of mineral surfaces on aqueous peptide oligomerization or degradation. As unactivated amino acid polymerization is thermodynamically unfavorable and kinetically slow in aqueous solution, we studied the reverse reaction of polymer degradation to measure potential mineral catalysis. Glycine (G) derivatives glycylglycine (GG), diketopiperazine (DKP), and glycylglycylglycine (GGG) were reacted with different minerals (calcite, hematite, montmorillonite, rutile, amorphous silica, and pyrite) in the presence of 0.05 M pH 8.1 KHCO3 buffer and 0.1 M NaCl as background electrolyte. Experiments were performed by reacting the aqueous amino acid derivative-mineral mixtures in a thermostatted oven (modified to accommodate a mechanical rotator) at 25°, 50° or 70°C. Samples were removed after 30, 60, 90, and 140 hours. Samples were then analyzed using high performance liquid chromatography to quantify the products. Besides mineral catalysis, it was determined that degradation of GGG proceeds principally via a GGG ? DKP + G mechanism, rather than via GGG ? GG + G. Below 70°C kinetics were generally too sluggish to detect catalytic activity over reasonable laboratory time-scales at this pH. At 70°C, pyrite was the only mineral with detectible catalytic effects on the degradation of GGG. GGG degraded ~ 1.5 - 4 x faster in the presence of pyrite than in control reactions, depending on the ratio of solution to mineral surface area. Catalysis was found to be saturable, suggesting the presence of discrete catalytic sites on the mineral surface. These and other results will be presented and discussed. References Bernal, J. D. (1951) The Physical Basis of Life (Routledge, London). Cleaves, H.J., Aubrey, A.D., Bada, J.L. (2009) An evaluation of the critical parameters for abiotic peptide synthesis in submarine hydrothermal systems. Origins of Life Evol Biosph. 39:109-26. Kauffman, S.A. (1971) Cellular homeostasis, epigenesis and replication in randomly aggregated macromolecular systems. Cybernetics and Systems: An International Journal 1: 71 - 96. Lambert, J. (2008) Adsorption and polymerization of amino acids on mineral surfaces: A review. Origins of Life Evol. Biosph. 38: 211-42. Miller, S.L. and Orgel, L.E. (1974) The Origins of Life on the Earth, Prentice Hall (Englewood Cliffs, NJ) Yao, Y., Ghosh, I., Zutshi, R., Chmielewski, J. (1998) Selective amplification by auto- and cross-catalysis in a replicating peptide system. Nature 396, 447 - 450.

  15. INTERSTELLAR GAS FLOW PARAMETERS DERIVED FROM INTERSTELLAR BOUNDARY EXPLORER-Lo OBSERVATIONS IN 2009 AND 2010: ANALYTICAL ANALYSIS

    E-print Network

    Bochsler, P.

    Neutral atom imaging of the interstellar gas flow in the inner heliosphere provides the most detailed information on physical conditions of the surrounding interstellar medium (ISM) and its interaction with the heliosphere. ...

  16. The double Caldeira-Leggett model: Derivation and solutions of the master equations, reservoir-induced interactions and decoherence

    E-print Network

    A. Cacheffo; M. H. Y. Moussa; M. A. de Ponte

    2009-03-25

    In this paper we analyze the double Caldeira-Leggett model: the path integral approach to two interacting dissipative harmonic oscillators. Assuming a general form of the interaction between the oscillators, we consider two different situations: i) when each oscillator is coupled to its own reservoir, and ii) when both oscillators are coupled to a common reservoir. After deriving and solving the master equation for each case, we analyze the decoherence process of particular entanglements in the positional space of both oscillators. To analyze the decoherence mechanism we have derived a general decay function for the off-diagonal peaks of the density matrix, which applies both to a common and separate reservoirs. We have also identified the expected interaction between the two dissipative oscillators induced by their common reservoir. Such reservoir-induced interaction, which gives rise to interesting collective damping effects, such as the emergence of relaxation- and decoherence-free subspaces, is shown to be blurred by the high-temperature regime considered in this study. However, we find that different interactions between the dissipative oscillators, described by rotating or counter-rotating terms, result in different decay rates for the interference terms of the density matrix.

  17. On Two-Body Space Experiments for Measuring Gravitational Interaction Parameters

    Microsoft Academic Search

    A. D. Alexeev; K. A. Bronnikov; N. I. Kolosnitsyn; M. Yu. Konstantinov; V. N. Melnikov; A. G. Radynov

    1994-01-01

    Recently two methods of measuring the gravitational constant G, possible equivalence principle violation (measured by the Eötvös parameter eta) and the hypothetic 5th force parameters alpha and lambda on board a drag-free Earth's satellite were suggested: SEE (Satellite Energy Exchange) and LPH (Libration Point Hitting). These methods are developed and compared. Various particle trajectories near a heavy ball are studied

  18. Bose-Einstein condensates with derivative and long-range interactions as set-ups for analog black holes

    NASA Astrophysics Data System (ADS)

    Kühnel, Florian

    2014-10-01

    General types of Bose-Einstein condensates are considered. The formation of black-hole analogues is examined for both short- and long-range interactions for arbitrary spatial dimensions greater than 2. The former case includes nonlinear derivative terms plus an inevitable external potential, while the latter one consists solely of gravitylike self-interactions for which intrinsic formation of analogue Schwarzschild-type background space-times is possible. The corresponding geometries are studied, and it is shown how they can be made stable. Their Hawking temperature is estimated, and it is found that in certain setups it can be significantly increased, thus providing better detectability.

  19. Getting a feel for parameters: using interactive parallel plots as a tool for parameter identification in the new rainfall-runoff model WALRUS

    NASA Astrophysics Data System (ADS)

    Brauer, Claudia; Torfs, Paul; Teuling, Ryan; Uijlenhoet, Remko

    2015-04-01

    Recently, we developed the Wageningen Lowland Runoff Simulator (WALRUS) to fill the gap between complex, spatially distributed models often used in lowland catchments and simple, parametric models which have mostly been developed for mountainous catchments (Brauer et al., 2014ab). This parametric rainfall-runoff model can be used all over the world in both freely draining lowland catchments and polders with controlled water levels. The open source model code is implemented in R and can be downloaded from www.github.com/ClaudiaBrauer/WALRUS. The structure and code of WALRUS are simple, which facilitates detailed investigation of the effect of parameters on all model variables. WALRUS contains only four parameters requiring calibration; they are intended to have a strong, qualitative relation with catchment characteristics. Parameter estimation remains a challenge, however. The model structure contains three main feedbacks: (1) between groundwater and surface water; (2) between saturated and unsaturated zone; (3) between catchment wetness and (quick/slow) flowroute division. These feedbacks represent essential rainfall-runoff processes in lowland catchments, but increase the risk of parameter dependence and equifinality. Therefore, model performance should not only be judged based on a comparison between modelled and observed discharges, but also based on the plausibility of the internal modelled variables. Here, we present a method to analyse the effect of parameter values on internal model states and fluxes in a qualitative and intuitive way using interactive parallel plotting. We applied WALRUS to ten Dutch catchments with different sizes, slopes and soil types and both freely draining and polder areas. The model was run with a large number of parameter sets, which were created using Latin Hypercube Sampling. The model output was characterised in terms of several signatures, both measures of goodness of fit and statistics of internal model variables (such as the percentage of rain water travelling through the quickflow reservoir). End users can then eliminate parameter combinations with unrealistic outcomes based on expert knowledge using interactive parallel plots. In these plots, for instance, ranges can be selected for each signature and only model runs which yield signature values in these ranges are highlighted. The resulting selection of realistic parameter sets can be used for ensemble simulations. C.C. Brauer, A.J. Teuling, P.J.J.F. Torfs, R. Uijlenhoet (2014a): The Wageningen Lowland Runoff Simulator (WALRUS): a lumped rainfall-runoff model for catchments with shallow groundwater, Geoscientific Model Development, 7, 2313-2332, www.geosci-model-dev.net/7/2313/2014/gmd-7-2313-2014.pdf C.C. Brauer, P.J.J.F. Torfs, A.J. Teuling, R. Uijlenhoet (2014b): The Wageningen Lowland Runoff Simulator (WALRUS): application to the Hupsel Brook catchment and Cabauw polder, Hydrology and Earth System Sciences, 18, 4007-4028, www.hydrol-earth-syst-sci.net/18/4007/2014/hess-18-4007-2014.pdf

  20. Interactions of cyclic and non-cyclic naphthalene diimide derivatives with different nucleic acids.

    PubMed

    Czerwinska, Izabella; Sato, Shinobu; Juskowiak, Bernard; Takenaka, Shigeori

    2014-05-01

    Recently, strategy based on stabilization of G-quadruplex telomeric DNA by small organic molecule has been realized by naphthalene diimide derivatives (NDIs). At the same time NDIs bind to DNA duplex as threading intercalators. Here we present cyclic derivative of naphthalene diimide (ligand 1) as DNA-binding ligand with ability to recognition of different structures of telomeric G-quadruplexes and ability to bis-intercalate to double-stranded helixes. The results have been compared to non-cyclic derivative (ligand 2) and revealed that preferential binding of ligands to nucleic acids strongly depends on their topology and structural features of ligands. PMID:24726302

  1. Redox and complexation interactions of neptunium(V) with quinonoid-enriched humic derivatives

    SciTech Connect

    Shcherbina, Natalia S. [Vernadsky Inst. of Geochemistry and Analytical Chemistry, Moscow, Russia; Perminova, Irina V. [Lomonosov Moscow State University, Moscow, Russia; Kalmykov, Stephan N. [Lomonosov Moscow State University, Moscow, Russia; Kovalenko, Anton N. [Lomonosov Moscow State University, Moscow, Russia; Novikov, Alexander P. [Vernadsky Inst. of Geochemistry and Analytical Chemistry, Moscow, Russia; Haire, Richard {Dick} G [ORNL

    2007-01-01

    Actinides in their higher valence states (e.g., MO{sub 2}{sup +} and MO{sub 2}{sup 2+}, where M can be Np, Pu, etc) possess a higher potential for migration and in turn pose a substantial environmental threat. To minimize this potential for migration, reducing them to lower oxidation states (e.g., their tetravalent state) can be an attractive and efficient remedial process. These lower oxidation states are often much less soluble in natural aqueous media and are, therefore, less mobile in the environment. The research presented here focuses on assessing the performance of quinonoid-enriched humic derivatives with regards to complexing and/or reducing Np(V) present in solution. These 'designer' humics are essentially derived reducing agents that can serve as reactive components of a novel humic-based remediation technology. The derivatives are obtained by incorporating different quinonoid-moieties into leonardite humic acids. Five quinonoid-derivatives are tested in this work and all five prove more effective as reducing agents for selected actinides than the parent leonardite humic acid, and the hydroquinone derivatives are better than the catechol derivatives. The reduction kinetics and the Np(V) species formed with the different derivatives are studied via a batch mode using near-infrared (NIR)-spectroscopy. Np(V) reduction by the humic derivatives under anoxic conditions at 293 K and at pH 4.7 obeys first-order kinetics. Rate constants range from 1.70 x 10{sup -6} (parent humic acid) to 1.06 x 10{sup -5} sec{sup -1} (derivative with maximum hydroquinone content). Stability constants for Np(V)-humic complexes calculated from spectroscopic data produce corresponding Log{beta} values of 2.3 for parent humic acid and values ranging from 2.5 to 3.2 at pH 4.7 and from 3.3 to 3.7 at pH 7.4 for humic derivatives. Maximum constants are observed for hydroquinone-enriched derivatives. It is concluded that among the humic derivatives tested, the hydroquinone-enriched ones are the most useful for addressing remedial needs of actinide-contaminated aquifers.

  2. Potential derived point charge model study of electrostatic interaction energies in some complexes of water with uracil, thymine, and cytosine.

    PubMed

    Ray, N K; Bolis, G; Shibata, M; Rein, R

    1984-01-01

    Potential derived (PD) point charges and segmental multipole moments are calculated for water, uracil, thymine, and cytosine using STO-3G quality wave functions. The PD point charges are used to estimate the electrostatic interaction energies for a series of complexes of water with these nucleic acid bases. It is shown here that the results obtained using simple PD charge model is very similar to those obtained from more elaborate segmental multipole moment analysis. PMID:11540815

  3. Interaction between a plant-derived smoke extract, light and phytohormones on the germination of light-sensitive lettuce seeds

    Microsoft Academic Search

    J. Staden; A. K. Jäger; A. Strydom

    1995-01-01

    Plant-derived smoke extracts mimics the effect of red light on germination in light-sensitive lettuce seeds and partially overcomes the inhibitory effect of far-red light. Interaction between a smoke extract and gibberellins, cytokinins, abscisic acid and ethephon was investigated. Smoke acted synergistically with GA3 and increased the sensitivity of the lettuce seeds to ABA. It seems likely that smoke affects membrane

  4. Synthesis, characterization and DNA interaction of copper (II) complexes with Schiff base ligands derived from 2-pyridinecarboxaldehyde and polyamines

    Microsoft Academic Search

    Xin-Bin Yang; Yu Huang; Jin-Sheng Zhang; Shu-Kai Yuan; Ren-Quan Zeng

    2010-01-01

    A series of copper (II) complexes a–d with Schiff bases ligands derived from the condensation reactions between 2-pyridinecarboxaldehyde and different polyamines (ethylenediamine, diethylenetriamine, triethylenetetramine and tetraethylenepentamine) were synthesized and characterized by elemental analysis, FT-IR spectroscopy, HRMS, molar conductance and molecular modeling studies. The interactions of the copper complexes a–d with DNA were investigated by the UV spectra, viscosity measurements and

  5. Gravitational and higher-derivative interactions of a massive spin 5/2 field in (A)dS space

    SciTech Connect

    Metsaev, R. R. [Department of Theoretical Physics, P.N. Lebedev Physical Institute, Leninsky Prospect 53, Moscow 119991 (Russian Federation)

    2008-01-15

    Using an on shell gauge invariant formulation of relativistic dynamics I study the interaction vertices for a massive spin 5/2 Dirac field propagating in (anti-)de Sitter [(A)dS] space of dimension greater than or equal to four. The gravitational interaction vertex for the massive spin 5/2 field and all cubic vertices for the massive spin 5/2 field and massless spin 2 field with two and three derivatives are obtained. In dimension greater than four, I demonstrate that the gravitational vertex of the massive spin 5/2 field involves, in addition to the standard minimal gravitational vertex, contributions with two and three derivatives. I find that for the massive spin 5/2 and massless spin 2 fields one can build two higher-derivative vertices with two and three derivatives. Limits of massless and partial massless spin 5/2 fields in (A)dS space and limits of massive and massless spin 5/2 fields in flat space are discussed.

  6. Gravitational and higher-derivative interactions of massive spin 5/2 field in (A)dS space

    E-print Network

    R. R. Metsaev

    2007-09-10

    Using on-shell gauge invariant formulation of relativistic dynamics we study interaction vertices for a massive spin 5/2 Dirac field propagating in (A)dS space of dimension greater than or equal to four. Gravitational interaction vertex for the massive spin 5/2 field and all cubic vertices for the massive spin 5/2 field and massless spin 2 field with two and three derivatives are obtained. In dimension greater that four, we demonstrate that the gravitational vertex of the massive spin 5/2 field involves, in addition to the standard minimal gravitational vertex, contributions with two and three derivatives. We find that for the massive spin 5/2 and massless spin 2 fields one can build two higher-derivative vertices with two and three derivatives. Limits of massless and partial massless spin 5/2 fields in (A)dS space and limits of massive and massless spin 5/2 fields in flat space are discussed.

  7. An interactive fuzzy satisficing method for multiobjective block angular linear programming problems with fuzzy parameters

    Microsoft Academic Search

    Masatoshi Sakawa; Kosuke Kato

    2000-01-01

    In this paper, by considering the experts’ imprecise or fuzzy understanding of the nature of the parameters in the problem-formulation process, large-scale multiobjective block-angular linear programming problems involving fuzzy parameters characterized by fuzzy numbers are formulated. Using the ?-level sets of fuzzy numbers, the corresponding nonfuzzy ?-programming problem is introduced. The fuzzy goals of the decision maker for the objective

  8. Tensor parameters in Skyrme and Gogny effective interactions: Trends from a ground-state-focused study

    E-print Network

    Marcella Grasso; Marta Anguiano

    2013-11-15

    Recent ground--state--focused studies of the tensor effects in the mean--field framework are our starting point. On the basis of phenomenological arguments, we indicate regions for acceptable values of the parameters that are associated with the tensor effective forces within both the Skyrme and the Gogny models. We identify acceptable signs and values of the parameters by making an adjustment on the neutron $1f$ spin--orbit splitting for the nuclei $^{40}$Ca, $^{48}$Ca and $^{56}$Ni. The first nucleus is not used to adjust the tensor parameters because it is spin--saturated, but is employed to tune the spin--orbit strength. One of the main conclusions of this work is that some existing Skyrme parametrizations containing the tensor force should not be employed because the wrong sign of the tensor parameters does not lead to the correct behavior (by comparing with the experimental results). This study also allows us to better constrain the tensor parameters in the Gogny case, where much less work is published and boundaries and signs for the parameters have not been analyzed so far.

  9. Characterization of poly-Si thin-film solar cell functions and parameters with IR optical interaction techniques

    Microsoft Academic Search

    M. Boostandoost; F. Friedrich; U. Kerst; C. Boit; S. Gall; Y. Yokoyama

    Three different optical interaction techniques have been employed to characterise the electrical and material parameters of\\u000a polycrystalline silicon (poly-Si) thin-film solar cells with an interdigitated mesa structure. First, Light Beam Induced Current\\u000a (LBIC) in the infrared range was used to locally analyse the light collection properties. Second, electroluminescence in forward\\u000a bias (EL) yielding information on band to band recombination was

  10. Productivity, Respiration, and Light-Response Parameters of World Grassland and Agroecosystems Derived From Flux-Tower Measurements

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Grasslands and agroecosystems occupy one-third of the terrestrial area, but their contribution to the global carbon cycle remains uncertain. We used a set of 316 site-years of CO2 exchange measurements to quantify gross primary productivity, respiration, and light-response parameters of grasslands, ...

  11. Distinguishing between physiological and essential tremor using discriminant and cluster analyses of parameters derived from the frequency spectrum

    Microsoft Academic Search

    H. J Wharrad; D Jefferson

    2000-01-01

    Three parameters, root mean square (rms) acceleration, frequency and shape, were calculated from the frequency spectrum in 20 patients with essential tremor. Tremor was measured in two postures (with the arms outstretched – `postural' tremor and with the arm supported and hand relaxed – `rest' tremor) in the dominant and non-dominant hands using a piezo-electric accelerometer. These data were compared

  12. Thermodynamic parameters of the interaction of Urtica dioica agglutinin with N-acetylglucosamine and its oligomers

    Microsoft Academic Search

    Reiko T. Lee; Hans-Joachim Gabius; Yuan C. Lee

    1998-01-01

    The interaction between Urtica dioica agglutinin (UDA) and N-acetylglucosamine (GlcNAc) and its ß(1-4)-linked oligomers was studied by fluorescence titration and isothermal titration microcalorimetry. UDA possesses one significant binding site that can be measured calorimetrically. This site is composed of three subsites, each subsite accommodating one GlcNAc residue. The interaction is enthalpically driven, and the binding area of UDA is characterized

  13. Design, synthesis, and physico-chemical interactions of bile acid derived dimeric phospholipid amphiphiles with model membranes.

    PubMed

    Kumar, Sandeep; Bhargava, Priyanshu; Sreekanth, Vedagopuram; Bajaj, Avinash

    2015-06-15

    Understanding of amphiphile-membrane interactions is crucial in design and development of novel amphiphiles for drug delivery, gene therapy, and biomedical applications. Structure and physico-chemical properties of amphiphiles determine their interactions with biomembranes thereby influencing their drug delivery efficacies. Here, we unravel the interactions of bile acid derived dimeric phospholipid amphiphiles with model membranes using Laurdan-based hydration, DPH-based membrane fluidity, and differential scanning calorimetry studies. We synthesized three dimeric bile acid amphiphiles where lithocholic acid, deoxycholic acid, and cholic acid are conjugated to cholic acid phospholipid using click chemistry. Interactions of these dimeric amphiphiles with model membranes showed that these amphiphiles form different structural assemblies and molecular packing in model membranes depending on the number and position of free hydroxyl groups on bile acids. We discovered that cholic acid-cholic acid dimeric phospholipid form self-assembled aggregates in model membranes without changing membrane fluidity; whereas cholic acid-deoxycholic acid derived amphiphile induces membranes fluidity and hydration of model membranes. PMID:25746193

  14. Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory.

    PubMed

    Zhang, Xing; Herbert, John M

    2014-08-14

    We revisit the calculation of analytic derivative couplings for configuration interaction singles (CIS), and derive and implement these couplings for its spin-flip variant for the first time. Our algorithm is closely related to the CIS analytic energy gradient algorithm and should be straightforward to implement in any quantum chemistry code that has CIS analytic energy gradients. The additional cost of evaluating the derivative couplings is small in comparison to the cost of evaluating the gradients for the two electronic states in question. Incorporation of an exchange-correlation term provides an ad hoc extension of this formalism to time-dependent density functional theory within the Tamm-Dancoff approximation, without the need to invoke quadratic response theory or evaluate third derivatives of the exchange-correlation functional. Application to several different conical intersections in ethylene demonstrates that minimum-energy crossing points along conical seams can be located at substantially reduced cost when analytic derivative couplings are employed, as compared to use of a branching-plane updating algorithm that does not require these couplings. Application to H3 near its D(3h) geometry demonstrates that correct topology is obtained in the vicinity of a conical intersection involving a degenerate ground state. PMID:25134548

  15. Tensor parameters in Skyrme and Gogny effective interactions: Trends from a ground-state-focused study

    E-print Network

    Grasso, Marcella

    2013-01-01

    Recent ground--state--focused studies of the tensor effects in the mean--field framework are our starting point. On the basis of phenomenological arguments, we indicate regions for acceptable values of the parameters that are associated with the tensor effective forces within both the Skyrme and the Gogny models. We identify acceptable signs and values of the parameters by making an adjustment on the neutron $1f$ spin--orbit splitting for the nuclei $^{40}$Ca, $^{48}$Ca and $^{56}$Ni. The first nucleus is not used to adjust the tensor parameters because it is spin--saturated, but is employed to tune the spin--orbit strength. One of the main conclusions of this work is that some existing Skyrme parametrizations containing the tensor force should not be employed because the wrong sign of the tensor parameters does not lead to the correct behavior (by comparing with the experimental results). This study also allows us to better constrain the tensor parameters in the Gogny case, where much less work is published ...

  16. Band-Gap Bowing Parameter of the AlxIn1-xN Derived from Theoretical Simulation

    NASA Astrophysics Data System (ADS)

    Kuo, Yen-Kuang; Lin, Wen-Wei

    2002-09-01

    The band-gap energy and band-gap bowing parameter of the wurtzite AlInN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlInN alloys is b=3.326 ± 0.072 eV. The simulation results also show that the width of the AlxIn1-xN top valence band at the ? point has a maximum value of about 6.57 eV when the aluminum composition is near 0.53. A summary of the band-gap energies, the width of the top valence band at the ? point, and the band-gap energy versus lattice constant relationship of the ternary InxGa1-xN alloys, AlxGa1-xN alloys, and AlxIn1-xN alloys is also provided.

  17. Band-Gap Bowing Parameter of the InxGa1-xN Derived From Theoretical Simulation

    NASA Astrophysics Data System (ADS)

    Kuo, Yen-Kuang; Lin, Wen-Wei; Lin, Jiann

    2001-05-01

    The band-gap energy and band-gap bowing parameter of the wurtzite InGaN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter for the wurtzite InGaN alloys is b=1.21± 0.03 eV@. The simulation results also show that the width of the InxGa1-xN top valence band at the ? point decreases when the indium composition increases and has a value of 7.331 eV for the GaN (x=0) and 6.972 eV for the In0.375Ga0.625N (x=0.375).

  18. Band-Gap Bowing Parameter of the AlxGa1-xN Derived from Theoretical Simulation

    NASA Astrophysics Data System (ADS)

    Kuo, Yen-Kuang; Lin, Wen-Wei

    2002-01-01

    The band-gap energy and band-gap bowing parameter of the wurtzite AlGaN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlGaN alloys is b = 0.353 ± 0.024 eV@. The simulation results also show that the width of the AlxGa1-xN top valence band at the ? point decreases when the aluminum composition increases and has a value of 7.331 eV for the GaN (x=0) and 6.132 eV for the AlN (x=1).

  19. Assessing the relationship between urban parameters and the LST derived by satellite and aerial imageries in a GIS environment: the case of Bari (Italy).

    NASA Astrophysics Data System (ADS)

    Caprioli, Mauro; Ceppi, Claudia; Falchi, Ugo; Mancini, Francesco; Scarano, Mario

    2014-05-01

    The use of thermal remote sensing to estimate the phenomenon of urban heat islands (UHI) and development of climate anomalies in urban context represents a consolidated approach. In the current scientific literature a widespread case studies were focused on the estimation of the relationship between features related to the urban environment and the Land Surface Temperatures (LST). The latter is a basic starting observation in the investigation on the UHI phenomenon . However, the evaluation of these relationships is rather difficult. This is due to deficiencies in the detailed knowledge of parameters able to describe geometric and qualitative properties of land covers. These properties are very often not repeatable and not easily transferable in other contexts. In addition, many of the relevant parameters are difficult to be determined at the required spatial resolution and analyses are affected by a lack in the amount of quantitative parameters used. In addition to the LST, several useful indicators are introduced by the literature in the investigation of such phenomena. The objective of this work is to study the relationship between the LST and a set of variables that characterize the anthropic and natural domains of the urban areas, such as urban morphology, the Normalized Differenced Vegetation Index (NDVI), the Sky View Factor (SVF) and other morphometric parameters implemented within a GIS environment. The study case is the city of Bari (Southern Italy) where several recognizable morphologies exhibit a different thermal behavior. The LST parameter was derived from a collection of satellite ASTER images collected within a period spanning from July 2001 and July 2006, whereas aerial thermal imageries were acquired on September 2013. The basic data used for the determination of the descriptive parameters of the urban environmental are derived from digital maps(Geographic Information System of the Apulia Region), Digital Elevation Model and Land Use. The analysis of satellite and aerial thermal images available at different spatial resolutions and related to varying epochs helped to highlight variables which seem more appropriate to define the relationships between the LST and the urban features at different scales of analysis. This derived relationship far from linearity and more complex rules are needed to explain the mutual dependency between the parameters. A multivariate statistical analysis was therefore used to adequately represent both the mutual relationships among the explanatory variables and between the explanatory variables and the LST.

  20. Considering Feature Interactions in Product Lines: Towards the Automatic Derivation of Dependencies between Product Variants

    Microsoft Academic Search

    Andreas Metzger; Stan Bühne; Kim Lauenroth; Klaus Pohl

    2005-01-01

    Employing a software product line presents a systematic approach for the reuse of software assets. This is achieved by the explicit modeling of variability, i.e., the description of points of variation and variants within the development artifacts. To derive concrete products from the reusable assets, dependencies between variants have to be considered when binding the overall variability. Consequently, being aware

  1. Hedgehog-mediated paracrine interaction between hepatic stellate cells and marrow-derived mesenchymal stem cells

    Microsoft Academic Search

    Nan Lin; Zhaofeng Tang; Meihai Deng; Yuesi Zhong; Jizong Lin; Xuhui Yang; Peng Xiang; Ruiyun Xu

    2008-01-01

    During liver injury, bone marrow-derived mesenchymal stem cells (MSCs) can migrate and differentiate into hepatocytes. Hepatic stellate cell (SC) activation is a pivotal event in the development of liver fibrosis. Therefore, we hypothesized that SCs may play an important role in regulating MSC proliferation and differentiation through the paracrine signaling pathway. We demonstrate that MSCs and SCs both express hedgehog

  2. Self-Assembled Fullerene-Derivative Monolayers on a Gold Substrate Using Phenanthroline-Au Interactions

    E-print Network

    Tao, Nongjian

    Self-Assembled Fullerene-Derivative Monolayers on a Gold Substrate Using Phenanthroline-ordered monolayers.5a A much less explored area in the field of self-assembly is the use of bipyridine (bpy of the final product, phenanthrolyl[60]fullerene, compound 1, in a 43% isolated yield. Spontaneous self-assembly

  3. Derivation of Lindblad master equation for the quantum Ising model interacting with a heat bath

    E-print Network

    Peizhi Mai; Shuai Yin

    2013-03-14

    Starting from the Liouville-von Neumann equation, under a weak coupling limit we derive the Lindblad master equation for the one-dimensional quantum Ising model in a Markov approximation and a rotating wave approximation. We also prove that the steady solution of the Lindblad equation is the canonical distribution independent of the dissipation rate.

  4. Interactions of Jet Fuels with Nitrile O-Rings: Petroleum-Derived versus Synthetic Fuels

    SciTech Connect

    Gormley, R.J.; Link, D.D.; Baltrus, J.P.; Zandhuis, P.H.

    2009-01-01

    A transition from petroleum-derived jet fuels to blends with Fischer-Tropsch (F-T) fuels, and ultimately fully synthetic hydro-isomerized F-T fuels has raised concern about the fate of plasticizers in nitrile-butadiene rubber a-rings that are contacted by the fuels as this transition occurs. The partitioning of plasticizers and fuel molecules between nitrile a-rings and petroleum-derived, synthetic, and additized-synthetic jet fuels has been measured. Thermal desorption of o-rings soaked in the various jet fuels followed by gas chromatographic analysis with a mass spectrometric detector showed many of the plasticizer and stabilizer compounds were removed from the o-rings regardless of the contact fuel. Fuel molecules were observed to migrate into the o-rings for the petroleum-derived fuel as did both the fuel and additive for a synthetic F-T jet fuel additized with benzyl alcohol, but less for the unadditized synthetic fuel. The specific compounds or classes of compounds involved in the partitioning were identified and a semiquantitative comparison of relative partitioning of the compounds of interest was made. The results provide another step forward in improving the confidence level of using additized, fully synthetic jet fuel in the place of petroleum-derived fuel.

  5. Interactions of Jet Fuels with Nitrile O-Rings: Petroleum-Derived versus Synthetic Fuels

    SciTech Connect

    Gormley, R.J.; Link, D.D.; Baltrus, J.P.; Zandhuis, P.H.

    2008-01-01

    A transition from petroleum-derived jet fuels to blends with Fischer-Tropsch (F-T) fuels, and ultimately fully synthetic hydro-isomerized F-T fuels has raised concern about the fate of plasticizers in nitrile-butadiene rubber o-rings that are contacted by the fuels as this transition occurs. The partitioning of plasticizers and fuel molecules between nitrile o-rings and petroleum-derived, synthetic, and additized-synthetic jet fuels has been measured. Thermal desorption of o-rings soaked in the various jet fuels followed by gas chromatographic analysis with a mass spectrometric detector showed many of the plasticizer and stabilizer compounds were removed from the o-rings regardless of the contact fuel. Fuel molecules were observed to migrate into the o-rings for the petroleum-derived fuel as did both the fuel and additive for a synthetic F-T jet fuel additized with benzyl alcohol, but less for the unadditized synthetic fuel. The specific compounds or classes of compounds involved in the partitioning were identified and a semiquantitative comparison of relative partitioning of the compounds of interest was made. The results provide another step forward in improving the confidence level of using additized, fuIly synthetic jet fuel in the place of petroleum-derived fueL

  6. Characteristic parameters of superconductor-coolant interaction including high Tc current density limits

    NASA Technical Reports Server (NTRS)

    Frederking, T. H. K.

    1989-01-01

    In the area of basic mechanisms of helium heat transfer and related influence on super-conducting magnet stability, thermal boundary conditions are important constraints. Characteristic lengths are considered along with other parameters of the superconducting composite-coolant system. Based on helium temperature range developments, limiting critical current densities are assessed at low fields for high transition temperature superconductors.

  7. Global variations in gravity-derived oceanic crustal thickness: Implications on oceanic crustal accretion and hotspot-lithosphere interactions

    NASA Astrophysics Data System (ADS)

    Lin, J.; Zhu, J.

    2012-12-01

    We present a new global model of oceanic crustal thickness based on inversion of global oceanic gravity anomaly with constrains from seismic crustal thickness profiles. We first removed from the observed marine free-air gravity anomaly all gravitational effects that can be estimated and removed using independent constraints, including the effects of seafloor topography, marine sediment thickness, and the age-dependent thermal structure of the oceanic lithosphere. We then calculated models of gravity-derived crustal thickness through inversion of the residual mantle Bouguer anomaly using best-fitting gravity-modeling parameters obtained from comparison with seismically determined crustal thickness profiles. Modeling results show that about 5% of the global crustal volume (or 9% of the global oceanic surface area) is associated with model crustal thickness <5.2 km (designated as "thin" crust), while 56% of the crustal volume (or 65% of the surface area) is associated with crustal thickness of 5.2-8.6 km thick (designated as "normal" crust). The remaining 39% of the crustal volume (or 26% of the surface area) is associated with crustal thickness >8.6 km and is interpreted to have been affected by excess magmatism. The percentage of oceanic crustal volume that is associated with thick crustal thickness (>8.6 km) varies greatly among tectonic plates: Pacific (33%), Africa (50%), Antarctic (33%), Australia (30%), South America (34%), Nazca (23%), North America (47%), India (74%), Eurasia (68%), Cocos (20%), Philippine (26%), Scotia (41%), Caribbean (89%), Arabian (82%), and Juan de Fuca (21%). We also found that distribution of thickened oceanic crust (>8.6 km) seems to depend on spreading rate and lithospheric age: (1) On ocean basins younger than 5 Ma, regions of thickened crust are predominantly associated with slow and ultraslow spreading ridges. The relatively strong lithospheric plate at slow and ultraslow ridges might facilitate the loading of large magmatic emplacements on the plate. (2) In contrast, crustal thickness near fast and intermediately fast spreading ridges typically does not exceed 7-8 km. The relatively weak lithosphere at fast and intermediately fast ridges might make it harder for excess magmatism to accrete. We further speculate that the relatively wide partial melting zones in the upper mantle beneath the fast and intermediately fast ridges might act as "buffer" zones, thus diluting the melt anomalies from the underlying hotspots or regions of mantle heterogeneities. (3) As the crustal age increases and the lithospheric plate thickens, regions of thickened crust start to develop on ocean basins that were originally created at fast and intermediately fast ridges. The integrated crustal volume for fast and intermediately fast ocean crust appears to reach peak values for certain geological periods, such as 40-50 Ma and 70-80 Ma. The newly constructed global models of gravity-derived crustal thickness, combining with geochemical and other constraints, can be used to investigate the processes of oceanic crustal accretion and hotspot-lithosphere interactions.

  8. Synthesis of fluorinated maltose derivatives for monitoring protein interaction by (19)F NMR.

    PubMed

    Braitsch, Michaela; Kählig, Hanspeter; Kontaxis, Georg; Fischer, Michael; Kawada, Toshinari; Konrat, Robert; Schmid, Walther

    2012-01-01

    A novel reporter system, which is applicable to the (19)F NMR investigation of protein interactions, is presented. This approach uses 2-F-labeled maltose as a spy ligand to indirectly probe protein-ligand or protein-protein interactions of proteins fused or tagged to the maltose-binding protein (MBP). The key feature is the simultaneous NMR observation of both (19)F NMR signals of gluco/manno-type-2-F-maltose-isomers; one isomer (?-gluco-type) binds to MBP and senses the protein interaction, and the nonbinding isomers (?-gluco- and/or ?/?-manno-type) are utilized as internal references. Moreover, this reporter system was used for relative affinity studies of fluorinated and nonfluorinated carbohydrates to the maltose-binding protein, which were found to be in perfect agreement with published X-ray data. The results of the NMR competition experiments together with the established correlation between (19)F chemical shift data and molecular interaction patterns, suggest valuable applications for studies of protein-ligand interaction interfaces. PMID:22509216

  9. A computationally derived structural model of doxorubicin interacting with oligomeric polyalkylcyanoacrylate in nanoparticles.

    PubMed

    Poupaert, Jacques H; Couvreur, Patrick

    2003-09-19

    We report a molecular simulation study of doxorubicin interacting within a frame of n-butyl polycyanoacrylate, one of the most commonly encountered polymers in the production of nanoparticles. Emphasis is put on the tetrameric, hexameric and octameric oligomers (PACA's). Log P was calculated for all interacting species. Molecular dynamics along with energy minimization processes (molecular mechanics MM2, semi-empirical quantum mechanics PM3) were employed to probe the conformational behavior of doxorubicin and polyalkylcyanoacrylate both as isolated species and interacting with each other. A docked structure of protonated doxorubicin with two octamers of n-butyl polycyanoacrylate is described. Among the main stability factors of the assembly was the charge-dipole interaction representing a stabilizing contribution of -33 kcal/mol. The mechanism of aggregation and desegregation (doxorubicin release) can be summarized as follows: oligomeric PACA's are lipophilic entities that scavenge amphiphilic doxorubicin already during the polymerization process by extraction of the protonated species from the aqueous environment to the increasingly lipophilic phase of the growing PACA's. The establishment of hydrogen bonds between the ammonium N-H function and the cyano groups is noteworthy. The cohesion in PACA nanoparticle comes therefore from a blend of dipole-charge interaction, H bonds, and hydrophobic forces, PMID:14499182

  10. Interaction of coal-derived synthesis gas impurities with solid oxide fuel cell metallic components

    SciTech Connect

    Marina, Olga A.; Pederson, Larry R.; Coyle, Christopher A.; Edwards, Danny J.; Chou, Y. S.; Cramer, Carolyn N.

    2010-05-28

    Chromium-containing iron-based alloys Crofer22 APU and SS 441 and nickel-based alloy Inconel600, all commonly used in a solid oxide fuel cell (SOFC) stack as interconnect materials, heat exchanger and gas feeding pipes, were exposed at 700-850oC to a synthetic coal gas containing ?2 ppm phosphine, arsine, sulfur and antimony. Samples were characterized by SEM/EDS and XRD to monitor the secondary phase formation. Exposure of ferritic stainless steels to P led to the formation of surface Cr-Mn-P-O and Fe-P-O compounds and increased temperatures accelerated the rate of interactions. Fewer interactions were observed after exposures to As and Sb. No sulfur containing compounds were found. Nickel-based alloy exhibited much stronger interactions with As and P in comparison with ferritic steels and the arsenic interactions were particularly strong. The difference between the iron- and nickel-based alloys is explained by the different chemistry and morphology of the scales grown on the alloy surfaces in coal gas. While P and As interactions with the metallic parts in the SOFC are likely to mitigate the nickel/zirconia anode poisoning, the other degradation mechanisms should be taken into consideration to avoid potential stack failures. Manganese spinels were found to be effective as phosphorus getters and could be used in coal gas cleanup.

  11. Estimation of kinetic parameters related to biochemical interactions between hydrogen peroxide and signal transduction proteins

    PubMed Central

    Brito, Paula M.; Antunes, Fernando

    2014-01-01

    The lack of kinetic data concerning the biological effects of reactive oxygen species is slowing down the development of the field of redox signaling. Herein, we deduced and applied equations to estimate kinetic parameters from typical redox signaling experiments. H2O2-sensing mediated by the oxidation of a protein target and the switch-off of this sensor, by being converted back to its reduced form, are the two processes for which kinetic parameters are determined. The experimental data required to apply the equations deduced is the fraction of the H2O2 sensor protein in the reduced or in the oxidized state measured in intact cells or living tissues after exposure to either endogenous or added H2O2. Either non-linear fittings that do not need transformation of the experimental data or linearized plots in which deviations from the equations are easily observed can be used. The equations were shown to be valid by fitting to them virtual time courses simulated with a kinetic model. The good agreement between the kinetic parameters estimated in these fittings and those used to simulate the virtual time courses supported the accuracy of the kinetic equations deduced. Finally, equations were successfully tested with real data taken from published experiments that describe redox signaling mediated by the oxidation of two protein tyrosine phosphatases, PTP1B and SHP-2, which are two of the few H2O2-sensing proteins with known kinetic parameters. Whereas for PTP1B estimated kinetic parameters fitted in general the present knowledge, for SHP-2 results obtained suggest that reactivity toward H2O2 as well as the rate of SHP-2 regeneration back to its reduced form are higher than previously thought. In conclusion, valuable quantitative kinetic data can be estimated from typical redox signaling experiments, thus improving our understanding about the complex processes that underlie the interplay between oxidative stress and redox signaling responses. PMID:25325054

  12. Some necessary parameters for a critical velocity interaction between the ionospheric plasma and a Xenon cloud

    Microsoft Academic Search

    I. Axnaes

    1979-01-01

    The conditions for an experiment to study the critical ionization velocity effect in the interaction between a Xenon cloud, released from a satellite, and the ionospheric plasma, are investigated. The model used is based on the assumption that there exists an effective process that transfers the energy, that is available in the relative motion, to the electrons. Some necessary conditions

  13. Interactive initialization of heat flux parameters for numerical models using satellite temperature measurements

    NASA Technical Reports Server (NTRS)

    Carlson, T. N. (principal investigator)

    1981-01-01

    Efforts were made (1) to bring the image processing and boundary layer model operation into a completely interactive mode and (2) to test a method for determining the surface energy budget and surface moisture availability and thermal inertia on a scale appreciably larger than that of the city. A region a few hundred kilometers on a side centered over southern Indiana was examined.

  14. Extracting Stacking Interaction Parameters for RNA from the Data Set of Native Structures

    E-print Network

    Thirumalai, Devarajan

    of the three-dimensional native structures of RNA is the prediction of their secondary structures, which are stable independent of the tertiary fold. Accurate prediction of the secondary structure requires context to tertiary interactions, secondary structures are more independently stable in RNA. As a result, RNA folding

  15. Interactive multiobjective passive filter planning with fuzzy parameters in distribution systems using genetic algorithms

    Microsoft Academic Search

    Ying-Yi Hong; Wei-Fen Huang

    2003-01-01

    The power quality in distribution systems becomes deteriorated due to an increase in nonlinear loads. This paper presents a new method, based on interactive multiobjective nonlinear programming (MONLP), using genetic algorithms (GAs) to study passive filter planning. The short-circuit capacity of the point of common coupling (PCC) and the individual bus loads are modeled with the fuzzy sets. The harmonic

  16. Experimental and theoretical NMR studies of interaction between phenylalanine derivative and egg yolk lecithin.

    PubMed

    Wa??sa, Roksana; Ptak, Tomasz; Siod?ak, Dawid; Kupka, Teobald; Broda, Ma?gorzata A

    2014-06-01

    The interaction of phenylalanine diamide (Ac-Phe-NHMe) with egg yolk lecithin (EYL) in chloroform was studied by (1)H and (13)C NMR. Six complexes EYL-Ac-Phe-NHMe, stabilized by N-H···O or/and C-H···O hydrogen bonds, were optimized at M06-2X/6-31G(d,p) level. The assignment of EYL and Ac-Phe-NHMe NMR signals was supported using GIAO (gauge including atomic orbital) NMR calculations at VSXC and B3LYP level of theory combined with STO-3Gmag basis set. Results of our study indicate that the interaction of peptides with lecithin occurs mainly in the polar 'head' of the lecithin. Additionally, the most probable lecithin site of H-bond interaction with Ac-Phe-NHMe is the negatively charged oxygen in phosphate group that acts as proton acceptor. PMID:24639342

  17. Direct Interaction between Scaffolding Proteins RACK1 and 14-3-3? Regulates Brain-derived Neurotrophic Factor (BDNF) Transcription*

    PubMed Central

    Neasta, Jérémie; Kiely, Patrick A.; He, Dao-Yao; Adams, David R.; O'Connor, Rosemary; Ron, Dorit

    2012-01-01

    RACK1 is a scaffolding protein that spatially and temporally regulates numerous signaling cascades. We previously found that activation of the cAMP signaling pathway induces the translocation of RACK1 to the nucleus. We further showed that nuclear RACK1 is required to promote the transcription of the brain-derived neurotrophic factor (BDNF). Here, we set out to elucidate the mechanism underlying cAMP-dependent RACK1 nuclear translocation and BDNF transcription. We identified the scaffolding protein 14-3-3? as a direct binding partner of RACK1. Moreover, we found that 14-3-3? was necessary for the cAMP-dependent translocation of RACK1 to the nucleus. We further observed that the disruption of RACK1/14-3-3? interaction with a peptide derived from the RACK1/14-3-3? binding site or shRNA-mediated 14-3-3? knockdown inhibited cAMP induction of BDNF transcription. Together, these data reveal that the function of nuclear RACK1 is mediated through its interaction with 14-3-3?. As RACK1 and 14-3-3? are two multifunctional scaffolding proteins that coordinate a wide variety of signaling events, their interaction is likely to regulate other essential cellular functions. PMID:22069327

  18. Investigation on interaction and sonodynamic damage of fluorescein derivants to bovine serum albumin (BSA) under ultrasonic irradiation

    NASA Astrophysics Data System (ADS)

    Zou, Mingming; Zhang, Lei; Wang, Jun; Wang, Qi; Gao, Jingqun; Fan, Ping

    2013-06-01

    The fluorescein derivants (Fluorescein: (2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl) benzoic acid), Fluorescein-DA: (Bis [N,N-bis (carboxymethyl) aminomethyl] fluorescein) and Fluorescein-DAsbnd Fe(III): (Bis [N,N-bis (carboxymethyl) aminomethyl] fluoresceinsbnd Ferrous(III)) with a tricyclic plane structure were used to study the interaction and sonodynamic damage to bovine serum albumin (BSA) under ultrasonic irradiation through fluorospectrometry and UV-vis spectrophotometry. Besides, because of the existence of Fe(III) ion in Fluorescein-DAsbnd Fe(III), under ultrasonic irradiation the sonocatalytic activity in the damage of BSA molecules was also found. Three-dimensional fluorescence spectra and three-dimensional fluorescence contour profile spectra were mentioned to determine the fluorescence quenching and the conformation change of BSA in the absence and presence of these fluorescein derivants. As judged from the experimental results, the fluorescence quenching of BSA in aqueous solution caused by these fluorescein derivants were all attributed to static quenching process. The damage degree and mode were related to some factors such as ultrasonic irradiation time, fluorescein derivant concentration and ionic strength. Finally, several quenchers were used to determine the amount and kind of generated reactive oxygen species (ROS) during sonodynamic and sonocatalytic reaction processes. It suggests that these fluorescein derivants induce protein damage via various ROS, at least, including singlet oxygen (1O2) and hydroxyl radicals (rad OH). Perhaps, this paper may offer some important subjects for broadening the application of these fluorescein derivants in sonodynamic therapy (SDT) and sonocatalytic therapy (SCT) technologies for tumor treatment.

  19. Shuttle derived atmospheric density model. Part 1: Comparisons of the various ambient atmospheric source data with derived parameters from the first twelve STS entry flights, a data package for AOTV atmospheric development

    NASA Technical Reports Server (NTRS)

    Findlay, J. T.; Kelly, G. M.; Troutman, P. A.

    1984-01-01

    The ambient atmospheric parameter comparisons versus derived values from the first twelve Space Shuttle Orbiter entry flights are presented. Available flights, flight data products, and data sources utilized are reviewed. Comparisons are presented based on remote meteorological measurements as well as two comprehensive models which incorporate latitudinal and seasonal effects. These are the Air Force 1978 Reference Atmosphere and the Marshall Space Flight Center Global Reference Model (GRAM). Atmospheric structure sensible in the Shuttle flight data is shown and discussed. A model for consideration in Aero-assisted Orbital Transfer Vehicle (AOTV) trajectory analysis, proposed to modify the GRAM data to emulate Shuttle experiments.

  20. SCF potential surfaces and derived models for Na and Cl- ions interacting with a water molecule

    NASA Astrophysics Data System (ADS)

    Dacre, Peter D.

    The results of SCF calculations for a water molecule interacting with (1) sodium and (2) chloride ions are presented. Sufficient points have been calculated to allow full details of the potential surfaces to be seen. Analytic models which fit the calculated points accurately have been obtained.

  1. Pseudomonas aeruginosa-Candida albicans Interactions: Localization and Fungal Toxicity of a Phenazine Derivative

    Microsoft Academic Search

    Jane Gibson; Arpana Sood; Deborah A. Hogan

    2009-01-01

    Phenazines are redox-active small molecules that play significant roles in the interactions between pseudo- monads and diverse eukaryotes, including fungi. When Pseudomonas aeruginosa and Candida albicans were cocultured on solid medium, a red pigmentation developed that was dependent on P. aeruginosa phenazine biosynthetic genes. Through a genetic screen in combination with biochemical experiments, it was found that a P. aeruginosa-produced

  2. Page 1 of 32 Derivation of an interaction/regulation network describing

    E-print Network

    Lu?trek, Mitja

    it was used to construct the final human pluripotency network. The RNAi data are based on human embryonic stem co-expression, and RNA interference (RNAi) data. The methods and the resulting networks were from the literature. The RNAi method proved best for filtering out unlikely interactions, so

  3. Modeling host interactions with hepatitis B virus using primary and induced pluripotent stem cell-derived

    E-print Network

    Bhatia, Sangeeta

    Modeling host interactions with hepatitis B virus using primary and induced pluripotent stem cell and Infectious Disease, Center for the Study of Hepatitis C, The Rockefeller University, New York, NY 10065; b of Hepatitis C, Weill Cornell Medical College, New York, NY 10065; and f Broad Institute of MIT and Harvard

  4. Interaction of LDL with human arterial proteoglycans stimulates its uptake by human monocyte-derived macrophages

    Microsoft Academic Search

    Eva Hurt; Goran Bondjers; GermSn Camejo

    The aim of this work was to investigate the possible mechanisms for uptake by human monocyte-derived macro- phages (HMDM) of low density lipoprotein (LDL) pretreated with human arterial chondroitin-6-SO,-rich proteoglycan (LDL- PG). HMDM were incubated with 1251-labeled tyramine cello- biose-Iabeled LDL-PG, native LDL, and acetylated LDL (Ac- LDL). The results showed that two to four times more LDL-PG than LDL

  5. Mathematical modelling of electrotonic interaction between stem cell-derived cardiomyocytes and fibroblasts

    Microsoft Academic Search

    M. Paci; L. Sartiani; M. E. Jaconi; E. Cerbai; S. Severi

    2010-01-01

    Human embryonic stem cell-derived cardiomyocytes (hES-CMs) represent a promising tool for cell therapy and drug screening. We developed a hES-CM mathematical model based on data acquired with electrophysiological and RT-PCR techniques. Coupling with modelled fibroblasts was assessed too. hES-CM model reproduced satisfactorily most of the action potential (AP) features. Coupling with fibroblasts shows an increment of slope of diastolic depolarization

  6. Five-Parameter Grain Boundary Inclination Recovery with EBSD and Interaction Volume Models

    NASA Astrophysics Data System (ADS)

    Sorensen, Caroline; Basinger, John A.; Nowell, Matthew M.; Fullwood, David T.

    2014-08-01

    While electron backscatter diffraction (EBSD) patterns are often used to present two-dimensional information about a material microstructure, they are in fact a product of the three-dimensional electron interaction volume. Consequently, 3D spatial information exists in EBSD images, which is generally not accessed. Specifically, the inclination of the grain boundary plane may be observed in EBSD patterns taken near grain boundaries. If, at the same time, the shape of an electron interaction volume in the material is known, a grain boundary plane normal direction can be obtained from a sequence of EBSD images taken stepwise in a line crossing the grain boundary. Here, these two principles are used for demonstrating the determination of grain boundary normal vectors from EBSD images. Coherent twin boundaries and focused ion beam serial scan data are used for validation. Results indicate a mean error for this approach of 3 deg with a standard deviation of 3.8 deg.

  7. Sheiva: A multi-parameter interactive data acquisition and processing system at VECC

    Microsoft Academic Search

    Y. P. Viyogi; N. K. Ganguly

    1983-01-01

    A general purpose modular software system has been developed around a PDP-15\\/76 computer for the collection, storage, real-time analysis and off-line sorting of experimental data and for generating interactive one- and two-dimensional displays. It provides high flexibility and ease of operation by specially emphasizing on dynamic core optimisation for transformation and display of data, device independence in data recording and

  8. Deriving the Ginzburg-Landau parameter from heat-capacity data on magnetic superconductors with Schottky anomalies

    NASA Astrophysics Data System (ADS)

    Leigh, Nigel R.; Hampshire, Damian P.

    2003-11-01

    The specific heat of the Chevrel phase (CP) magnetic superconductors (Sn0.65Eu0.35)Mo6S8 and (Sn0.50Eu0.50)Mo6S8 have been measured in high magnetic fields. The Schottky contributions, including self-field and exchange terms, were calculated and then subtracted to improve determination of the Ginzburg-Landau parameter. Two approximate high-field specific-heat equations are presented which are used to find the free-ion ground state of these CP compounds and the doublet ground-state properties in some rare-earth high-temperature superconductors without advanced computation. The approximate equations allow simple calculation of the degeneracy and moments of the ground-state multiplet and the ordering temperature.

  9. Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units.

    PubMed

    Hohenstein, Edward G; Bouduban, Marine E F; Song, Chenchen; Luehr, Nathan; Ufimtsev, Ivan S; Martínez, Todd J

    2015-07-01

    The floating occupation molecular orbital-complete active space configuration interaction (FOMO-CASCI) method is a promising alternative to the state-averaged complete active space self-consistent field (SA-CASSCF) method. We have formulated the analytic first derivative of FOMO-CASCI in a manner that is well-suited for a highly efficient implementation using graphical processing units (GPUs). Using this implementation, we demonstrate that FOMO-CASCI gradients are of similar computational expense to configuration interaction singles (CIS) or time-dependent density functional theory (TDDFT). In contrast to CIS and TDDFT, FOMO-CASCI can describe multireference character of the electronic wavefunction. We show that FOMO-CASCI compares very favorably to SA-CASSCF in its ability to describe molecular geometries and potential energy surfaces around minimum energy conical intersections. Finally, we apply FOMO-CASCI to the excited state hydrogen transfer reaction in methyl salicylate. PMID:26156469

  10. Optical properties and the dispersion parameters of new zinc Phthalocyanine benzofuran derivative prepared by non-vacuum spin coating technique

    NASA Astrophysics Data System (ADS)

    Farag, A. A. M.; Yahia, I. S.; Yakuphanoglu, F.; Kandaz, M.; Farooq, W. A.

    2012-06-01

    The optical properties of 2(3),9(10),16(17),23(24)-tetrakis-{6-(-benzofuran-2-carboxylate)-hexylthio} phthalocyaninatozinc(II) {Zn[Pc(b-S(CH2)6OCOBz-furan)4], (ZnPcBzF) thin film prepared by spin coating method were investigated. The optical constants of the prepared film were determined using spectrophotometric measurements of the transmittance and reflectance at normal incidence in the spectral range 200-800 nm. The analysis of the spectral behavior of the absorption coefficient in the intrinsic absorption region revealed two direct allowed optical band gap of 2.58 and 3.87 eV. The dispersion of the refractive index was discussed in terms of the single oscillator using Sellmeier dispersion formula. The high frequency dielectric constant (??) and the lattice dielectric constant (?L) were estimated. From the optical constants analysis, the optical conductivity was also considered. Discussion of the obtained results and their comparison with the previous published data were also given. The obtained results of this new zinc phthalocyanine benzofuran derivative (ZnPcBzF) support the desirable feature for the microelectronic and optoelectronic devices.

  11. Technical note: Monte Carlo derivation of TG-43 dosimetric parameters for radiation therapy resources and 3M Cs-137 sources

    SciTech Connect

    Perez-Calatayud, J.; Granero, D.; Ballester, F.; Casal, E.; Cases, R.; Agramunt, S. [Physics Section, Radiation Oncology Department, 'La Fe' University Hospital, Avda Campanar 21, E46009 Valencia (Spain); Department of Atomic, Molecular and Nuclear Physics and IFIC, University of Valencia-CSIC, Dr. Moliner 50, E46100 Burjassot (Spain); ITIC, Avd. Alfonso Puchades 8, E03500 Benidorm (Spain)

    2005-08-15

    In clinical brachytherapy dosimetry, a detailed dose rate distribution of the radioactive source in water is needed in order to plan for quality treatment. Two Cs-137 sources are considered in this study; the Radiation Therapy Resources 67-800 source (Radiation Therapy Resources Inc., Valencia, CA) and the 3M model 6500/6D6C source. A complete dosimetric dataset for both sources has been obtained by means of the Monte Carlo GEANT4 code. Dose rate distributions are presented in two different ways; following the TG43 formalism and in a 2D rectangular dose rate table. This 2D dose rate table is helpful for the TPS quality control and is fully consistent with the TG43 dose calculation formalism. In this work, several improvements to the previously published data for these sources have been included: the source asymmetries were taken explicitly into account in the MC calculations, TG43 data were derived directly from MC calculations, the data radial range was increased, the angular grid in the anisotropy function was increased, and TG43 data is now consistent with the along and away dose rate table as recommended by the TG43 update.

  12. Technical note: Monte Carlo derivation of TG-43 dosimetric parameters for radiation therapy resources and 3M Cs-137 sources.

    PubMed

    Pérez-Calatayud, J; Granero, D; Ballester, F; Casal, E; Cases, R; Agramunt, S

    2005-08-01

    In clinical brachytherapy dosimetry, a detailed dose rate distribution of the radioactive source in water is needed in order to plan for quality treatment. Two Cs-137 sources are considered in this study; the Radiation Therapy Resources 67-800 source (Radiation Therapy Resources Inc., Valencia, CA) and the 3M model 6500/6D6C source. A complete dosimetric dataset for both sources has been obtained by means of the Monte Carlo GEANT4 code. Dose rate distributions are presented in two different ways; following the TG43 formalism and in a 2D rectangular dose rate table. This 2D dose rate table is helpful for the TPS quality control and is fully consistent with the TG43 dose calculation formalism. In this work, several improvements to the previously published data for these sources have been included: the source asymmetries were taken explicitly into account in the MC calculations, TG43 data were derived directly from MC calculations, the data radial range was increased, the angular grid in the anisotropy function was increased, and TG43 data is now consistent with the along and away dose rate table as recommended by the TG43 update. PMID:16193775

  13. The 27-28 October 1986 FIRE IFO cirrus case study - Cirrus parameter relationships derived from satellite and lidar data

    NASA Technical Reports Server (NTRS)

    Minnis, Patrick; Alvarez, Joseph M.; Young, David F.; Sassen, Kenneth; Grund, Christian J.

    1990-01-01

    Cirrus cloud radiative and physical characteristics are determined using a combination of ground-based, aircraft, and satellite measurements taken as part of the First ISCCP Regional Experiment (FIRE) Cirrus Intensive Field Observations (IFO) during October and November 1986. Lidar backscatter data are used to define cloud base, center, and top heights and the corresponding temperatures. Coincident GOES 4 km visible (0.65 microns) and 8 km infrared window (11.5 microns) radiances are analyzed to determine cloud emittances and reflectances. Infrared optical depth is computed from the emittance results. Visible optical depth is derived from reflectance using a theoretical ice crystal scattering model and an empirical bidirectional reflectance mode. No clouds with visible optical depths greater than 5 or infrared optical depths less than 0.1 were used in the analysis. Average cloud thickness ranged from 0.5 km to 8 km for the 71 scenes. An average visible scattering efficiency of 2.1 was found for this data set. The results reveal a significant dependence of scattering efficiency on cloud temperature.

  14. The 27-28 October 1986 FIRE IFO cirrus case study: Cirrus parameter relationships derived from satellite and lidar data

    NASA Technical Reports Server (NTRS)

    Minnis, Patrick; Young, David F.; Sassen, Kenneth; Alvarez, Joseph M.; Grund, Christian J.

    1989-01-01

    Cirrus cloud radiative and physical characteristics are determined using a combination of ground-based, aircraft, and satellite measurements taken as part of the First ISCCP Regional Experiment (FIRE) Cirrus Intensive Field Observations (IFO) during October and November 1986. Lidar backscatter data are used to define cloud base, center, and top heights and the corresponding temperatures. Coincident GOES 4 km visible (0.65 microns) and 8 km infrared window (11.5 microns) radiances are analyzed to determine cloud emittances and reflectances. Infrared optical depth is computed from the emittance results. Visible optical depth is derived from reflectance using a theoretical ice crystal scattering model and an empirical bidirectional reflectance mode. No clouds with visible optical depths greater than 5 or infrared optical depths less than 0.1 were used in the analysis. Average cloud thickness ranged from 0.5 km to 8 km for the 71 scenes. An average visible scattering efficiency of 2.1 was found for this data set. The results reveal a significant dependence of scattering efficiency on cloud temperature.

  15. Account of the Gravitational Interaction in an Estimate of the Parameters of Pinch Plasmoids

    NASA Astrophysics Data System (ADS)

    Bogdanovich, B. Yu.; Nesterovich, A. V.; Sukhanova, L. A.; Khlestkov, Yu. A.

    2015-02-01

    Exact solutions of the Einstein-Maxwell equations in GTR for centrosymmetric dust and a free electromagnetic field are applied to a description of pinch plasmoids formed in experiments on the collapse of a charge-neutralized high-voltage discharge in a medium in which superhigh energy densities are reached, where an account of the curvature of spacetime becomes important. The given solutions are also used to estimate the parameters of cosmological objects - maximons, whose electric charge is equal to the "gravitational charge." These objects are identified with the throat - the extremal static hypersurface of the inner space of the plasmoid and maximon observed from the Reissner-Nordström vacuum.

  16. Identifying the Cognitive Needs of Visitors and Content Selection Parameters for Designing the Interactive Kiosk Software for Museums

    NASA Astrophysics Data System (ADS)

    Katre, Dinesh; Sarnaik, Mandar

    This research presents the findings of contextual interviews, visitor survey and behavioural study that were carried out in Indian museums. It originates from the hypothesis that the museum exhibits are unable to express their relevance, historical significance and related knowledge to satisfy the curiosity of visitors. Our objective is to identify the cognitive needs of museum visitors and the content selection parameters for designing the interactive kiosk software, which is expected to be set up in every thematic gallery of the museum. The kiosk software is intended to offer higher level of engaging and learnable experience to the museum visitors. The research involved participation of 100+ visitors in Indian museums. The access restrictions and constraints of museums cause cognitive deprivation of visitors and compromise the quality of experience. Therefore, the interactivity, animations and multimedia capabilities of kiosk software must be focused on overcoming these limitations.

  17. [Biophysical parameters of erythrocyte membranes and mechanisms of interaction with non-opioid analgesics under acute pain syndrome].

    PubMed

    Hubs'ky?, Iu I; Bukhtiarova, T A; Horiushko, H H; Litvinova, N V; Paramonova, H I; Kurapova, T M; Velychko, O M; Babenko, L P

    2014-01-01

    Methods of fluorescent probing, spectrophotometry and microcalorimetry were applied to investigate the alterations in biophysical parameters of erythrocytes membranes, and specifically microviscosity, surface charge, molecular organization of lipid bilayer and lipid-protein interactions under conditions of acute pain syndrome produced by experimental chemical lesion. The distinctive features of non-opiod analgesics interactions and binding to the erythrocytes membranes of rats subjected to acute nociceptive pain accompanied with oxidative stress development were investigated. The abilities of analgesics under research, and namely paracetamol, aspirin, phenazone, ketorolac, pyrodazole, ketoprofenum, natrium mefenaminate, indometacin, nimesulide to make up physico-chemical complexes with lipoperoxidation modified erythrocytes surface and protein-lipid bilayer showed marked changes. The significance of oxidative damage of biophase under conditions of acute pain syndrome for analgesics effective pharmacodynamics and pharmacokinetics realization is under consideration. PMID:25033559

  18. Towards Improving our Understanding on the Retrievals of Key Parameters Characterising Land Surface Interactions from Space: Introduction & First Results from the PREMIER-EO Project

    NASA Astrophysics Data System (ADS)

    Ireland, Gareth; North, Matthew R.; Petropoulos, George P.; Srivastava, Prashant K.; Hodges, Crona

    2015-04-01

    Acquiring accurate information on the spatio-temporal variability of soil moisture content (SM) and evapotranspiration (ET) is of key importance to extend our understanding of the Earth system's physical processes, and is also required in a wide range of multi-disciplinary research studies and applications. The utility and applicability of Earth Observation (EO) technology provides an economically feasible solution to derive continuous spatio-temporal estimates of key parameters characterising land surface interactions, including ET as well as SM. Such information is of key value to practitioners, decision makers and scientists alike. The PREMIER-EO project recently funded by High Performance Computing Wales (HPCW) is a research initiative directed towards the development of a better understanding of EO technology's present ability to derive operational estimations of surface fluxes and SM. Moreover, the project aims at addressing knowledge gaps related to the operational estimation of such parameters, and thus contribute towards current ongoing global efforts towards enhancing the accuracy of those products. In this presentation we introduce the PREMIER-EO project, providing a detailed overview of the research aims and objectives for the 1 year duration of the project's implementation. Subsequently, we make available the initial results of the work carried out herein, in particular, related to an all-inclusive and robust evaluation of the accuracy of existing operational products of ET and SM from different ecosystems globally. The research outcomes of this project, once completed, will provide an important contribution towards addressing the knowledge gaps related to the operational estimation of ET and SM. This project results will also support efforts ongoing globally towards the operational development of related products using technologically advanced EO instruments which were launched recently or planned be launched in the next 1-2 years. Key Words: PREMIER-EO, HPC Wales, Soil Moisture, Evapotranspiration, , Earth Observation

  19. Synergy between optical and microwave remote sensing to derive soil and vegetation parameters from MAC Europe 1991 Experiment

    NASA Technical Reports Server (NTRS)

    Taconet, O.; Benallegue, M.; Vidal, A.; Vidal-Madjar, D.; Prevot, L.; Normand, M.

    1993-01-01

    The ability of remote sensing for monitoring vegetation density and soil moisture for agricultural applications is extensively studied. In optical bands, vegetation indices (NDVI, WDVI) in visible and near infrared reflectances are related to biophysical quantities as the leaf area index, the biomass. In active microwave bands, the quantitative assessment of crop parameters and soil moisture over agricultural areas by radar multiconfiguration algorithms remains prospective. Furthermore the main results are mostly validated on small test sites, but have still to be demonstrated in an operational way at a regional scale. In this study, a large data set of radar backscattering has been achieved at a regional scale on a French pilot watershed, the Orgeval, along two growing seasons in 1988 and 1989 (mainly wheat and corn). The radar backscattering was provided by the airborne scatterometer ERASME, designed at CRPE, (C and X bands and HH and VV polarizations). Empirical relationships to estimate water crop and soil moisture over wheat in CHH band under actual field conditions and at a watershed scale are investigated. Therefore, the algorithms developed in CHH band are applied for mapping the surface conditions over wheat fields using the AIRSAR and TMS images collected during the MAC EUROPE 1991 experiment. The synergy between optical and microwave bands is analyzed.

  20. Early Epidemic Dynamics of the West African 2014 Ebola Outbreak: Estimates Derived with a Simple Two-Parameter Model

    PubMed Central

    Fisman, David; Khoo, Edwin; Tuite, Ashleigh

    2014-01-01

    The 2014 West African Ebola virus outbreak, now more correctly referred to as an epidemic, is the largest ever to occur. As of August 28, 2014, concerns have been raised that control efforts, particularly in Liberia, have been ineffective, as reported case counts continue to increase. Limited data are available on the epidemiology of the outbreak. However, reported cumulative incidence data as well as death counts are available for Guinea, Sierra Leone, Liberia and Nigeria. We utilized a simple, two parameter mathematical model of epidemic growth and control, to characterize epidemic growth patterns in West Africa, to evaluate the degree to which the epidemic is being controlled, and to assess the potential implications of growth patterns for epidemic size. Models demonstrated good fits to data. Overall basic reproductive number (R0) for the epidemic was estimated to be between 1.6 and 2.0, consistent with prior outbreaks. However, we identified only weak evidence for the occurrence of epidemic control in West Africa as a whole, and essentially no evidence for control in Liberia (though slowing of growth was seen in Guinea and Sierra Leone). It is projected that small reductions in transmission would prevent tens of thousands of future infections. These findings suggest that there is an extraordinary need for improved control measures for the 2014 Ebola epidemic, especially in Liberia, if catastrophe is to be averted. PMID:25642358

  1. Herb drug interaction: effect of Manix® on pharmacokinetic parameters of pefloxacin in rat model

    PubMed Central

    Odunke, Nduka Sunday; Eleje, Okonta; Christiana, Abba Chika; Peter, Ihekwereme Chibueze; Uchenna, Ekwedigwe; Matthew, Okonta

    2014-01-01

    Objective To evaluate the effect of Manix®, the commonly used polyherbal formulation on pefloxacin pharmacokinetic parameters. Methods Microbiological assay was employed using clinical isolate of Escherichia coli samples from hospitalized patients. Results Manix® altered the bioavailability parameters of pefloxacin as thus, maximal concentration (Cmax) of pefloxacin (0.91±0.31) µg/mL occurred at time to reach maximal concentration (tmax) 4.0 h while in the group that received Manix® alongside pefloxacin Cmax was (0.22±0.08) µg/mL at tmax 1.0 h respectively. The area under curve of pefloxacin alone was (7.83±5.14) µg/h/mL while with Manix® was (2.60±0.08) µg/h/mL. There was a significant difference between Cmax, tmax and area under curve between pefloxacin alone and pefloxacin after Manix® pre-treatment (P<0.05). Conclusions The concurrent use of Manix® and pefloxacin has been found to compromise the therapeutic effectiveness of pefloxacin which could lead to poor clinical outcomes in patients. PMID:25183119

  2. A computational parameter study for the three-dimensional shock?bubble interaction

    NASA Astrophysics Data System (ADS)

    Niederhaus, John H. J.; Greenough, J. A.; Oakley, J. G.; Ranjan, D.; Anderson, M. H.; Bonazza, R.

    The morphology and time-dependent integral properties of the multifluid compressible flow resulting from the shock0.8 0.2, three-dimensional (non-axisymmetric) effects become particularly significant in the total enstrophy at late times. A new model for the total velocity circulation is proposed, also based on properties derived from one-dimensional gasdynamics, which compares favourably with circulation data obtained from calculations, relative to existing models. The action of nonlinear-acoustic effects and primary and secondary vorticity production is depicted in sequenced visualizations of the density and vorticity fields, which indicate the significance of both secondary vorticity generation and turbulent effects, particularly for M > 2 and A > 0.2. Movies are available with the online version of the paper.

  3. Interaction of a new bis-indol derivative, KAR-2 with tubulin and its antimitotic activity

    PubMed Central

    Orosz, Ferenc; Kovács, János; Löw, Péter; Vértessy, Beáta G; Urbányi, Zoltán; Ács, Tibor; Keve, Tibor; Ovádi, Judit

    1997-01-01

    KAR-2 (3?'-(?-chloroethyl)-2?',4?'-dioxo-3,5?'-spiro-oxazolidino-4-deacetoxy-vinblastine), is a bis-indol derivative; catharantine is coupled with the vindoline moiety which contains a substituted oxazolidino group. Our binding studies showed that KAR-2 exhibited high affinity for bovine purified brain tubulin (Kd=3??M) and it inhibited microtubule assembly at a concentration of 10?nM. Anti-microtubular activity of KAR-2 was highly dependent on the ultrastructure of microtubules: while the single tubules were sensitive, the tubules cross-linked by phosphofructokinase (ATP: D-fructose-6-phosphate-1-phosphotransferase, EC 2.7.1.11) exhibited significant resistance against KAR-2. The cytoplasmic microtubules of Chinese hamster ovary mammalian and Sf9 insect cells were damaged by 1??g?ml?1 KAR-2, as observed by indirect immunofluorescence and transmission electron microscopy. Scanning electron microscopy revealed intensive surface blebbing on both types of cells in the presence of KAR-2. KAR-2 was effective in the mouse leukaemia P338 test in vivo without significant toxicity. Studies on a primary cerebro-cortical culture of rat brain and differentiated PC12 cells indicated that the toxicity of KAR-2 was significantly lower than that of vinblastine. The additional property of KAR-2 that distinguishes it from bis-indol derivatives is the lack of anti-calmodulin activity. PMID:9222552

  4. Derivation of physiological inhalation rates in children, adults, and elderly based on nighttime and daytime respiratory parameters.

    PubMed

    Brochu, Pierre; Brodeur, Jules; Krishnan, Kannan

    2011-02-01

    The methodology developed in our previous studies ( Brochu et al. 2006a-c ) for the determination of physiological daily inhalation rates was improved by integrating into the calculation process, both nighttime and daytime respiratory parameters, namely oxygen uptake factors (H) and ventilatory equivalents (VQ). H values during fasting (0.2057±0.0018 L of O2/kcal; mean±SD) and postprandial phases (0.2059±0.0019 L of O2/kcal) as well as VQ values for subjects at rest (27.4±4.8 to 32.2±3.1, unitless) and during the aggregate daytime activities (29.9±4.2 to 33.7±7.2) were determined and combined with published doubly labeled water measurements for the calculation of daily inhalation rates in normal-weight males and females aged 0.22-96 years (n=1235). Depending upon the unit value chosen, the highest 99th percentiles for inhalation data were found in males aged 35 to <45 years (35.40 m3/day), 2.6 to <6 months (1.138 m3/kg-day), and 10 to <16.5 years (22.29 m3/m2-day). Means and percentiles expressed in m3/kg-day as well as in m3/m2-day suggest generally higher intakes of air pollutants in children than in adults and in males than in females (in g/kg-day or g/m2-day) for identical exposure concentrations and conditions. For instance, means in boys aged 2.6 to <6 months of 10.99±3.50 m3/m2-day and 0.572±0.191 m3/kg-day are 1.3- and 2.5-folds higher, respectively, than those in adult males 65?96 years old (8.42±2.13 m3/m2-day, 0.225±0.059 m3/kg-day). PMID:21299435

  5. Molecular dissection of the interactions of an antitumor interleukin-2-derived mutein on a phage display-based platform.

    PubMed

    Rojas, Gertrudis; Carmenate, Tania; Leon, Kalet

    2015-04-01

    A mutein with stronger antitumor activity and lower toxicity than wild-type human interleukin-2 (IL-2) has been recently described. The rationale behind its design was to reinforce the immunostimulatory potential through the introduction of four mutations that would selectively disrupt the interaction with the IL-2 receptor alpha chain (thought to be critical for both IL-2-driven expansion of T regulatory cells and IL-2-mediated toxic effects). Despite the successful results of the mutein in several tumor models, characterization of its interactions was still to be performed. The current work, based on phage display of IL-2-derived variants, showed the individual contribution of each mutation to the impairment of alpha chain binding. A more sensitive assay, based on the ability of phage-displayed IL-2 variants to induce proliferation of the IL-2-dependent CTLL-2 cell line, revealed differences between the mutated variants. The results validated the mutein design, highlighting the importance of the combined effects of the four mutations. The developed phage display-based platform is robust and sensitive, allows a fast comparative evaluation of multiple variants, and could be broadly used to engineer IL-2 and related cytokines, accelerating the development of cytokine-derived therapeutics. PMID:25683569

  6. A flexible, interactive software tool for fitting the parameters of neuronal models

    PubMed Central

    Friedrich, Péter; Vella, Michael; Gulyás, Attila I.; Freund, Tamás F.; Káli, Szabolcs

    2014-01-01

    The construction of biologically relevant neuronal models as well as model-based analysis of experimental data often requires the simultaneous fitting of multiple model parameters, so that the behavior of the model in a certain paradigm matches (as closely as possible) the corresponding output of a real neuron according to some predefined criterion. Although the task of model optimization is often computationally hard, and the quality of the results depends heavily on technical issues such as the appropriate choice (and implementation) of cost functions and optimization algorithms, no existing program provides access to the best available methods while also guiding the user through the process effectively. Our software, called Optimizer, implements a modular and extensible framework for the optimization of neuronal models, and also features a graphical interface which makes it easy for even non-expert users to handle many commonly occurring scenarios. Meanwhile, educated users can extend the capabilities of the program and customize it according to their needs with relatively little effort. Optimizer has been developed in Python, takes advantage of open-source Python modules for nonlinear optimization, and interfaces directly with the NEURON simulator to run the models. Other simulators are supported through an external interface. We have tested the program on several different types of problems of varying complexity, using different model classes. As targets, we used simulated traces from the same or a more complex model class, as well as experimental data. We successfully used Optimizer to determine passive parameters and conductance densities in compartmental models, and to fit simple (adaptive exponential integrate-and-fire) neuronal models to complex biological data. Our detailed comparisons show that Optimizer can handle a wider range of problems, and delivers equally good or better performance than any other existing neuronal model fitting tool. PMID:25071540

  7. CONTROL OF LASER RADIATION PARAMETERS: Polarisation-independent modulation of laser radiation by the acoustooptic interaction

    NASA Astrophysics Data System (ADS)

    Kotov, V. M.

    1994-10-01

    A new type of polarisation-independent modulation of laser radiation with the aid of the acoustooptic interaction is considered. This modulation is based on the use of the properties of reflecting surfaces and of the acoustooptic properties of gyrotropic media. It is shown that polarisation-independent modulation of monochromatic radiation can always be realised over a wide range of acoustic wave frequencies. Three types of polarisation-independent modulation of two-frequency Ar laser radiation with the wavelengths 0.488 and 0.5145 ?m are described. Experimental results are given for modulation in which the properties of a TeO2 single crystal are used in a geometry ensuring the maximum diffraction efficiency. Polarisation-independent diffraction of the two-frequency Ar laser radiation by an acoustic wave of 58 MHz frequency is reported.

  8. Hedgehog-mediated paracrine interaction between hepatic stellate cells and marrow-derived mesenchymal stem cells

    SciTech Connect

    Lin Nan [Division of Hepatology, Third Hospital of Sun Yat-Sen University, Tianhe Road 600, Guangzhou City 510630, Guangdong Province (China)], E-mail: linnancn@gmail.com; Tang Zhaofeng; Deng Meihai; Zhong Yuesi; Lin Jizong [Division of Hepatology, Third Hospital of Sun Yat-Sen University, Tianhe Road 600, Guangzhou City 510630, Guangdong Province (China); Yang Xuhui; Xiang Peng [Center for Stem Cell Biology and Tissue Engineering, Sun Yat-Sen University, Guangzhou City, Guangdong Province (China); Xu Ruiyun [Division of Hepatology, Third Hospital of Sun Yat-Sen University, Tianhe Road 600, Guangzhou City 510630, Guangdong Province (China)

    2008-07-18

    During liver injury, bone marrow-derived mesenchymal stem cells (MSCs) can migrate and differentiate into hepatocytes. Hepatic stellate cell (SC) activation is a pivotal event in the development of liver fibrosis. Therefore, we hypothesized that SCs may play an important role in regulating MSC proliferation and differentiation through the paracrine signaling pathway. We demonstrate that MSCs and SCs both express hedgehog (Hh) pathway components, including its ligands, receptors, and target genes. Transwell co-cultures of SCs and MSCs showed that the SCs produced sonic hedgehog (Shh), which enhanced the proliferation and differentiation of MSCs. These findings demonstrate that SCs indirectly modulate the activity of MSCs in vitro via the Hh pathway, and provide a plausible explanation for the mechanisms of transplanted MSCs in the treatment of liver fibrosis.

  9. Re-Processing of ERS-1/-2 SAR data for derivation of glaciological parameters on the Antarctic Peninsula

    NASA Astrophysics Data System (ADS)

    Friedl, Peter; Höppner, Kathrin; Braun, Matthias; Lorenz, Rainer; Diedrich, Erhard

    2015-04-01

    Climate Change, it`s polar amplification and impacts are subject of current research in various thematic and methodological fields. In this context different spaceborne remote sensing techniques play an important role for data acquisition and measurement of different geophysical variables. A recently founded Junior Researchers Group at the German Aerospace Center (DLR) is studying changing processes in cryosphere and atmosphere above the Antarctic Peninsula. It is the aim of the group to make use of long-term remote sensing data sets of the land and ice surface and the atmosphere in order to characterize changes in this sensitive region. One aspect focuses on the application of synthetic aperture radar (SAR) data for glaciological investigations on the Antarctic Peninsula. The data had been acquired by the European Remote Sensing (ERS-1 and ERS-2) satellites and received at DLR's Antarctic station GARS O'Higgins. Even though recent glaciological investigations often make use of modern polar-orbiting single-pass SAR-systems like e.g. TanDEM-X, only ERS-1 (1991 - 2000) and its follow-up mission ERS-2 (1995 - 2011) provided a 20 years' time series of continuous measurements, which offers great potential for long-term studies. Interferometric synthetic radar (InSAR) and differential interferometric synthetic radar (DInSAR) methods as well as the intensity tracking technique are applied to create value-added glaciological SAR-products, such as glacier velocity maps, coherence maps, interferograms and differential interferograms with the aim to make them accessible to interested scientific end-users. These products are suitable for glaciological applications, e.g. determinations of glacier extend, and grounding line position, glacier and ice-stream velocities and glacier mass balance calculations with the flux-gate approach. We represent results of case studies from three test sites located at different latitudes and presenting different climatic and glaciological conditions in order to do first parameter adjustments for the processing. The subsequent aim of the entire project is to re-process the entire 20 years' ERS SAR archive for the Antarctic Peninsula.

  10. Rigorous Derivation of the Gross-Pitaevskii Equation with a Large Interaction Potential

    E-print Network

    Laszlo Erdos; Benjamin Schlein; Horng-Tzer Yau

    2009-03-16

    Consider a system of $N$ bosons in three dimensions interacting via a repulsive short range pair potential $N^2V(N(x_i-x_j))$, where $\\bx=(x_1, >..., x_N)$ denotes the positions of the particles. Let $H_N$ denote the Hamiltonian of the system and let $\\psi_{N,t}$ be the solution to the Schr\\"odinger equation. Suppose that the initial data $\\psi_{N,0}$ satisfies the energy condition \\[ \\leq C N >. \\] and that the one-particle density matrix converges to a projection as $N \\to \\infty$. Then, we prove that the $k$-particle density matrices of $\\psi_{N,t}$ factorize in the limit $N \\to \\infty$. Moreover, the one particle orbital wave function solves the time-dependent Gross-Pitaevskii equation, a cubic non-linear Schr\\"odinger equation with the coupling constant proportional to the scattering length of the potential $V$. In \\cite{ESY}, we proved the same statement under the condition that the interaction potential $V$ is sufficiently small; in the present work we develop a new approach that requires no restriction on the size of the potential.

  11. Microwave spectroscopic studies of molecular recognition: Analysis of diastereomeric interactions between ethanol and oxirane derivatives

    NASA Astrophysics Data System (ADS)

    Borho, Nicole; Xu, Yunjie

    2007-06-01

    High resolution microwave spectroscopy complimented by ab initio calculations has been used to elucidate the diastereomeric interactions in a set of small model complexes. Ethanol, a transient chiral alcohol, was combined with oxirane (achiral), methyl-oxiraneootnotetextmark[1] (1 stereocenter) and trans-2,3-dimethyloxirane (2 stereocenters) to form hydrogen-bonded 1:1 complexes. The rotational constants of two conformers of ethanoloxirane, six conformers of ethanolmethyl-oxirane and three conformers of ethanoltrans-2,3-dimethyloxirane have been determined and the relative stability order of the conformers has been established. The dependence of the observed intensity on pressure, nozzle temperature and different carrier gases has been investigated for the case of ethanoltrans-2,3-dimethyloxirane to give a first insight into the kinetical and thermodynamical influence on the formation of different conformers. The step-by-step methyl addition to oxirane helps to unravel the diastereomeric interactions at play via analysis of the subtle energy differences between each set of conformers, allowing for a detailed understanding of molecular recognition in this benchmark system.ootnotetextmark[1]Nicole Borho, Yunjie Xu, Angew. Chem., 2006, (VIP paper, Published Online: 17 Nov 2006, DOI: 10.1002/anie.200603809).

  12. Model membrane interaction and DNA-binding of antimicrobial peptide Lasioglossin II derived from bee venom.

    PubMed

    Bandyopadhyay, Susmita; Lee, Meryl; Sivaraman, J; Chatterjee, Chiradip

    2013-01-01

    Lasioglossins, a new family of antimicrobial peptide, have been shown to have strong antimicrobial activity with low haemo-lytic and mast cell degranulation activity, and exhibit cytotoxic activity against various cancer cells in vitro. In order to understand the active conformation of these pentadecapeptides in membranes, we have studied the interaction of Lasioglossin II (LL-II), one of the members of Lasioglossins family with membrane mimetic micelle Dodecylphosphocholine (DPC) by fluorescence, Circular Dichroism (CD) and two dimensional (2D) (1)H NMR spectroscopy. Fluorescence experiments provide evidence of interaction of the N-terminal tryptophan residue of LL-II with the hydrophobic core of DPC micelle. CD results show an extended chain conformation of LL-II in water which is converted to a partial helical conformation in the presence of DPC micelle. Moreover we have determined the first three-dimensional NMR structure of LL-II bound to DPC micelle with rmsd of 0.36Å. The solution structure of LL-II shows hydrophobic and hydrophilic core formation in peptide pointing towards different direction in the presence of DPC. This amphipathic structure may allow this peptide to penetrate deeply into the interfacial region of negatively charged membranes and leading to local membrane destabilization. Further we have elucidated the DNA binding ability of LL-II by agarose gel retardation and fluorescence quenching experiments. PMID:23159628

  13. Image-Based Quantification of Benzoporphyrin Derivative Uptake, Localization, and Photobleaching in 3D Tumor Models, for Optimization of PDT Parameters

    PubMed Central

    Glidden, Michael D.; Celli, Jonathan P.; Massodi, Iqbal; Rizvi, Imran; Pogue, Brian W.; Hasan, Tayyaba

    2012-01-01

    Photodynamic therapy (PDT) is a light-based treatment modality in which wavelength specific activation of a photosensitizer (PS) generates cytotoxic response in the irradiated region. PDT response is critically dependent on several parameters including light dose, PS dose, uptake time, fluence rate, and the mode of light delivery. While the systematic optimization of these treatment parameters can be complex, it also provides multiple avenues for enhancement of PDT efficacy under diverse treatment conditions, provided that a rational framework is established to quantify the impact of parameter selection upon treatment response. Here we present a theranostic technique, combining the inherent ability of the PS to serve simultaneously as a therapeutic and imaging agent, with the use of image-based treatment assessment in three dimensional (3D) in vitro tumor models, to comprise a platform to evaluate the impact of PDT parameters on treatment outcomes. We use this approach to visualize and quantify the uptake, localization, and photobleaching of the PS benzoporphyrin derivative monoacid ring-A (BPD) in a range of treatment conditions with varying uptake times as well as continuous and fractionated light delivery regimens in 3D cultures of AsPC-1 and PANC-1 cells. Informed by photobleaching patterns and correlation with cytotoxic response, asymmetric fractionated light delivery at 4 hours BPD uptake was found to be the most effective regimen assessed. Quantification of the spatial profile of cell killing within multicellular nodules revealed that these conditions also achieve the highest depth of cytotoxicity along the radial axis of 3D nodules. The framework introduced here provides a means for systematic assessment of PDT treatment parameters in biologically relevant 3D tumor models with potential for broader application to other systems. PMID:23082096

  14. Concentration dependence of the Flory-Huggins interaction parameter in aqueous solutions of capped PEO chains

    E-print Network

    M. I. Chaudhari; L. R. Pratt; M. E. Paulaitis

    2014-10-05

    The dependence on volume fraction $\\varphi$ of the Flory-Huggins $\\chi_{\\mathrm{wp}}\\left(\\varphi\\right)$ describing the free energy of mixing of polymers in water is obtained by exploiting the connection of $\\chi_{\\mathrm{wp}}\\left(\\varphi\\right)$ to the chemical potential of the water, for which quasi-chemical theory is satisfactory. We test this theoretical approach with simulation data for aqueous solutions of capped PEO oligomers. For CH$_3$(CH$_2$-O-CH$_2$)$_m$CH$_3$ ($m$=11), $\\chi_{\\mathrm{wp}}\\left(\\varphi\\right)$ depends strongly on $\\varphi$, consistent with experiment. These results identify coexisting water-rich and water-poor solutions at $T$ = 300K and $p$ = 1atm. Direct observation of the coexistence of these two solutions on simulation time scales supports that prediction for the system studied. This approach directly provides the osmotic pressures. The osmotic second virial coefficient for these chains is positive, reflecting repulsive interactions between the chains in the water, a good solvent for these chains.

  15. A sensitivity analysis of the parameters controlling water-sediment interactions in the coastal zone: Consequences to man and environment

    NASA Astrophysics Data System (ADS)

    Iosjpe, M.

    2011-10-01

    A sensitivity analysis has been carried out on the basis of the local and global sensitivity indexes for selected radionuclides ( 3H, 137Cs, 238Pu, 241Am and 244Cm) and main parameters describing the water-sediment interaction (sediment reworking rate, pore-water turnover rate, sediment distribution coefficient, suspended sediment load in water column, sedimentation rate, molecular diffusion coefficient, surface sediment thickness, porosity of bottom sediment and density of sediment material). Sensitivity analysis has been carried out using a compartment model for dose assessment to man and biota, which includes the processes of advection of radioactivity between compartments, sedimentation, diffusion of radioactivity through pore water in sediments, particle mixing, pore water mixing and a burial process of radioactivity in deep sediment layers. The sensitivity analysis indicates that for the conditions in the Norwegian Current (the Norwegian Sea) particle mixing dominates the transfer of radioactivity between the bottom water and surface sediment compartments. For the conditions in the Ob Bay (the Kara Sea), the sedimentation process has also been found to be significant. The calculated dynamics of the sensitivity indexes demonstrate clearly the complexities encountered when modeling water-sediment interactions. It is also shown that the results can be strongly dependent on the time of analysis. For example, given a specific change of parameters the radionuclide concentration will be either increased or decreased, depending on the temporal interval. Information provided by the sensitivity analysis can contribute to a better understanding of experimental data and might further improve the parameterization process. The obtained results show that water-sediment interactions can play a key role in the marine coastal environment, thus demonstrating the need to further deepen our understanding of them, as well as improve the models describing them.

  16. A statistical approach to study the interactive effects of process parameters on succinic acid production from Bacteroides fragilis.

    PubMed

    Isar, Jasmine; Agarwal, Lata; Saran, Saurabh; Kaushik, Rekha; Saxena, Rajendra Kumar

    2007-04-01

    A statistical approach response surface methodology (RSM) was used to study the production of succinic acid from Bacteroides fragilis. The most influential parameters for succinic acid production obtained through one-at-a-time method were glucose, tryptone, sodium carbonate, inoculum size and incubation period. These resulted in the production of 5.4gL(-1) of succinic acid in 48h from B. fragilis under anaerobic conditions. Based on these results, a statistical method, face-centered central composite design (FCCCD) falling under RSM was employed for further enhancing the succinic acid production and to monitor the interactive effect of these parameters, which resulted in a more than 2-fold increase in yield (12.5gL(-1) in 24h). The analysis of variance (ANOVA) showed the adequacy of the model and the verification experiments confirmed its validity. On subsequent scale-up in a 10-L bioreactor using conditions optimized through RSM, 20.0gL(-1) of succinic acid was obtained in 24h. This clearly indicated that the model stood valid even on large scale. Thus, the statistical optimization strategy led to an approximately 4-fold increase in the yield of succinic acid. This is the first report on the use of FCCCD to improve succinic acid production from B. fragilis. The present study provides useful information about the regulation of succinic acid synthesis through manipulation of various physiochemical parameters. PMID:17303449

  17. Identification of novel GAPDH-derived antimicrobial peptides secreted by Saccharomyces cerevisiae and involved in wine microbial interactions.

    PubMed

    Branco, Patrícia; Francisco, Diana; Chambon, Christophe; Hébraud, Michel; Arneborg, Nils; Almeida, Maria Gabriela; Caldeira, Jorge; Albergaria, Helena

    2014-01-01

    Saccharomyces cerevisiae plays a primordial role in alcoholic fermentation and has a vast worldwide application in the production of fuel-ethanol, food and beverages. The dominance of S. cerevisiae over other microbial species during alcoholic fermentations has been traditionally ascribed to its higher ethanol tolerance. However, recent studies suggested that other phenomena, such as microbial interactions mediated by killer-like toxins, might play an important role. Here we show that S. cerevisiae secretes antimicrobial peptides (AMPs) during alcoholic fermentation that are active against a wide variety of wine-related yeasts (e.g. Dekkera bruxellensis) and bacteria (e.g. Oenococcus oeni). Mass spectrometry analyses revealed that these AMPs correspond to fragments of the S. cerevisiae glyceraldehyde 3-phosphate dehydrogenase (GAPDH) protein. The involvement of GAPDH-derived peptides in wine microbial interactions was further sustained by results obtained in mixed cultures performed with S. cerevisiae single mutants deleted in each of the GAPDH codifying genes (TDH1-3) and also with a S. cerevisiae mutant deleted in the YCA1 gene, which codifies the apoptosis-involved enzyme metacaspase. These findings are discussed in the context of wine microbial interactions, biopreservation potential and the role of GAPDH in the defence system of S. cerevisiae. PMID:24292082

  18. Brain-derived neurotrophic factor interacts with astrocytes and neurons to control respiration.

    PubMed

    Caravagna, Céline; Soliz, Jorge; Seaborn, Tommy

    2013-11-01

    Respiratory rhythm is generated and modulated in the brainstem. Neuronal involvement in respiratory control and rhythmogenesis is now clearly established. However, glial cells have also been shown to modulate the activity of brainstem respiratory groups. Although the potential involvement of other glial cell type(s) cannot be excluded, astrocytes are clearly involved in this modulation. In parallel, brain-derived neurotrophic factor (BDNF) also modulates respiratory rhythm. The currently available data on the respective roles of astrocytes and BDNF in respiratory control and rhythmogenesis lead us to hypothesize that there is BDNF-mediated control of the communication between neurons and astrocytes in the maintenance of a proper neuronal network capable of generating a stable respiratory rhythm. According to this hypothesis, progression of Rett syndrome, an autism spectrum disease with disordered breathing, can be stabilized in mouse models by re-expressing the normal gene pattern in astrocytes or microglia, as well as by stimulating the BDNF signaling pathway. These results illustrate how the signaling mechanisms by which glia exerts its effects in brainstem respiratory groups is of great interest for pathologies associated with neurological respiratory disorders. PMID:23930598

  19. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer

    NASA Astrophysics Data System (ADS)

    Hanni, Matti; Lantto, Perttu; Iliaš, Miroslav; Jensen, Hans Jørgen Aagaard; Vaara, Juha

    2007-10-01

    Relativistic effects on the Xe129 nuclear magnetic resonance shielding and Xe131 nuclear quadrupole coupling (NQC) tensors are examined in the weakly bound Xe2 system at different levels of theory including the relativistic four-component Dirac-Hartree-Fock (DHF) method. The intermolecular interaction-induced binary chemical shift ?, the anisotropy of the shielding tensor ??, and the NQC constant along the internuclear axis ? ? are calculated as a function of the internuclear distance. DHF shielding calculations are carried out using gauge-including atomic orbitals. For comparison, the full leading-order one-electron Breit-Pauli perturbation theory (BPPT) is applied using a common gauge origin. Electron correlation effects are studied at the nonrelativistic (NR) coupled-cluster singles and doubles with perturbational triples [CCSD(T)] level of theory. The fully relativistic second-order Møller-Plesset many-body perturbation (DMP2) theory is used to examine the cross coupling between correlation and relativity on NQC. The same is investigated for ? and ?? by BPPT with a density functional theory model. A semiquantitative agreement between the BPPT and DHF binary property curves is obtained for ? and ?? in Xe2. For these properties, the currently most complete theoretical description is obtained by a piecewise approximation where the uncorrelated relativistic DHF results obtained close to the basis-set limit are corrected, on the one hand, for NR correlation effects and, on the other hand, for the BPPT-based cross coupling of relativity and correlation. For ? ?, the fully relativistic DMP2 results obtain a correction for NR correlation effects beyond MP2. The computed temperature dependence of the second virial coefficient of the Xe129 nuclear shielding is compared to experiment in Xe gas. Our best results, obtained with the piecewise approximation for the binary chemical shift combined with the previously published state of the art theoretical potential energy curve for Xe2, are in excellent agreement with the experiment for the first time.

  20. Renormalization group theory for fermions and order parameter fluctuations in interacting Fermi systems

    NASA Astrophysics Data System (ADS)

    Smirnov, Dimitry

    The dominant mode of coupled ocean-atmosphere variability in the Tropical Atlantic, the Atlantic Meridional Mode (AMM), responds strongly to seasonally dependent remote forcing. Previous studies have focused on AMM during boreal spring, when it is readily excited by ENSO and NAO forcing. However, relatively little is known about AMM variability during boreal fall, when it strongly regulates Atlantic hurricane activity and thus commands important societal impacts. A recent finding using a linear inverse model (LIM) of near-global SST anomalies suggests that the boreal fall AMM is forced by extratropical Atlantic SST anomalies and shows remarkable predictability with lead times approaching one year. To investigate the validity and mechanism of the LIM, a set of ensemble simulations are designed using an AGCM coupled to a slab-ocean. By initializing the GCM with LIM-derived SST anomalies, the main result of this research is the confirmation of the LIM result using an alternate physical framework. Excitation of the AMM is found to involve at least two processes: one is the thermodynamic, wind-evaporation-SST (WES) feedback, and the other is a low-cloud/SST feedback. The WES feedback is found to amplify the AMM-like response by a factor of three compared to when it is absent. However, SST anomalies are still found in the tropics when the WES feedback is suppressed. Meanwhile, the low-cloud-SST feedback is found to be locally important in the north tropical Atlantic stratocumulus region during boreal summer, but is unlikely to affect the large-scale AMM-like response. Additionally, we find that the GCM response depends strongly on the season of forcing (consistent with the LIM and some past studies), and also exhibits modest non-linearity initially, but progresses towards a more linear response later in the simulation. Another notable conclusion is that oceanic dynamics are not needed to explain the LIM result, as can be partly expected from the relatively short time-scales that are considered. This manuscript focuses on a mechanistic diagnosis of the GCM result, highlighting relevance to previous, similar studies, as well as offering several avenues for future research.

  1. Interaction of Mycobacterium avium with Human Monocyte-Derived Dendritic Cells

    PubMed Central

    Mohagheghpour, Nahid; van Vollenhoven, Annika; Goodman, Joseph; Bermudez, Luiz E.

    2000-01-01

    The mechanism by which mycobacteria elicit class I-restricted T-cell responses remains undefined because these organisms have been shown to reside exclusively within membrane-bound vesicles in macrophages (M?), their primary host cells. We studied the interaction of M. avium with dendritic cells (DC) because they are the most potent antigen-presenting cells and are abundant at M. avium infection sites. We observed that both DC and M?, generated from human peripheral blood monocytes by short-term culture, internalized M. avium. The onset of programmed cell death and the percentage of apoptotic cells in infected DC and M? were comparable. However, following infection, DC secreted significantly larger amounts of interleukin-12, but not interleukin-1?, than infected autologous M?. Further analysis of infected cells showed that while phagosomes failed to acidify in both M. avium-infected DC and M?, bacilli grew more slowly in DC. Electron microscopy studies revealed that M. avium resided within endocytic vacuoles in both cell types. The vacuolar membrane surrounding some bacilli in approximately 10% of the vacuoles in DC possessed several breaks. The importance of this finding will have to be addressed in future studies. PMID:10992491

  2. Toxicological interactions between the mycotoxins deoxynivalenol, nivalenol and their acetylated derivatives in intestinal epithelial cells.

    PubMed

    Alassane-Kpembi, Imourana; Puel, Olivier; Oswald, Isabelle P

    2015-08-01

    In case of mycotoxin contaminations, food and feedstuff are usually contaminated by more than one toxin. However toxicological data concerning the effects of mycotoxin combinations are sparse. The intestinal epithelium is the first barrier against food contaminants and this constantly renewing organ is particularly sensitive to mycotoxins. The aim of this study was to investigate the effects of deoxynivalenol (DON) and four other type B trichothecenes (TCTB), 3-acetyldeoxynivalenol (3-ADON), 15-acetyldeoxynivalenol (15-ADON), nivalenol (NIV) and fusarenon-X (FX) alone or in combination on intestinal epithelial cells. Proliferating, non-transformed IPEC-1 cells were exposed to increasing doses of TCTB, alone or in binary mixtures and mycotoxin-induced cytotoxicity was measured with MTT test. The toxicological interactions were assessed using the isobologram-Combination index method. The five tested mycotoxins and their mixtures had a dose-dependent effect on the proliferating enterocytes. DON-NIV, DON-15-ADON and 15-ADON-3-ADON combinations were synergistic, with magnitude of synergy for 10 % cytotoxicity ranging from 2 to 7. The association between DON and 3-ADON also demonstrated a synergy but only at high doses, at lower doses antagonism was noted. Additivity was observed between NIV and FX, and antagonism between DON and FX. These results indicate that the simultaneous presence of mycotoxins in food commodities and diet may be more toxic than predicted from the mycotoxins alone. This synergy should be taken into account considering the frequent co-occurrence of TCTB in the diet. PMID:25033990

  3. Tensor interaction limit derived from the ?-?-?[over ¯] correlation in trapped 8Li ions.

    PubMed

    Li, G; Segel, R; Scielzo, N D; Bertone, P F; Buchinger, F; Caldwell, S; Chaudhuri, A; Clark, J A; Crawford, J E; Deibel, C M; Fallis, J; Gulick, S; Gwinner, G; Lascar, D; Levand, A F; Pedretti, M; Savard, G; Sharma, K S; Sternberg, M G; Sun, T; Van Schelt, J; Yee, R M; Zabransky, B J

    2013-03-01

    A measurement of the ?-?-?[over ¯] angular correlation in the Gamow-Teller decay (8)Li?(8)Be(*)+?[over ¯]+?, (8)Be(*)??+? has been performed using ions confined in a linear Paul trap surrounded by silicon detectors. The energy difference spectrum of the ? particles emitted along and opposite the direction of the ? particle is consistent with the standard model prediction and places a limit of 3.1% (95.5% confidence level) on any tensor contribution to the decay. From this result, the amplitude of any tensor component C(T) relative to that of the dominant axial-vector component C(A) of the electroweak interaction is limited to |C(T)/C(A)|<0.18 (95.5% confidence level). This experimental approach is facilitated by several favorable features of the (8)Li ? decay and has different systematic effects than the previous ?-?[over ¯] correlation results for a pure Gamow-Teller transition obtained from studying (6)He ? decay. PMID:23496705

  4. Food plant derived disease tolerance and resistance in a natural butterfly-plant-parasite interactions.

    PubMed

    Sternberg, Eleanore D; Lefèvre, Thierry; Li, James; de Castillejo, Carlos Lopez Fernandez; Li, Hui; Hunter, Mark D; de Roode, Jacobus C

    2012-11-01

    Organisms can protect themselves against parasite-induced fitness costs through resistance or tolerance. Resistance includes mechanisms that prevent infection or limit parasite growth while tolerance alleviates the fitness costs from parasitism without limiting infection. Although tolerance and resistance affect host-parasite coevolution in fundamentally different ways, tolerance has often been ignored in animal-parasite systems. Where it has been studied, tolerance has been assumed to be a genetic mechanism, unaffected by the host environment. Here we studied the effects of host ecology on tolerance and resistance to infection by rearing monarch butterflies on 12 different species of milkweed food plants and infecting them with a naturally occurring protozoan parasite. Our results show that monarch butterflies experience different levels of tolerance to parasitism depending on the species of milkweed that they feed on, with some species providing over twofold greater tolerance than other milkweed species. Resistance was also affected by milkweed species, but there was no relationship between milkweed-conferred resistance and tolerance. Chemical analysis suggests that infected monarchs obtain highest fitness when reared on milkweeds with an intermediate concentration, diversity, and polarity of toxic secondary plant chemicals known as cardenolides. Our results demonstrate that environmental factors-such as interacting species in ecological food webs-are important drivers of disease tolerance. PMID:23106703

  5. Forecasting the Dst index during corotating interaction region events using synthesized solar wind parameters

    NASA Astrophysics Data System (ADS)

    Andriyas, T.; Spencer, E.; Raj, A.; Sojka, J.; Mays, M. L.

    2012-03-01

    Observations from SOHO, STEREO, and ACE during the declining phase of the solar cycle toward the deep minimum in 2008 are analyzed to establish the timing of corotating interaction region (CIR) activity. This analysis is then employed to synthesize signals of the z component of the interplanetary magnetic field (IMF) Bz, solar wind radial velocity vx, and solar wind proton density Np at 1 AU. The synthesized signals are used as a substitute for ACE measurements to represent solar wind forcing due to coronal hole driven CIR events occurring during multiple Bartel rotations (BR 2381 to BR 2393). The signals drive a low-order physics-based model of the magnetosphere called WINDMI, one of whose outputs is the ground-based measurement of the Dst index. Estimating the arrival of CIR events for future rotations using ACE and SOHO data during BR 2381 produced what we refer to as an uncalibrated yearly forecast. We next generated a video-calibrated estimate of the arrival times of CIR events in addition to information from BR 2381 using SOHO and STEREO images of the Sun in order to produce a simulated 3.5 day ahead forecast of possible geomagnetic activity. The time of arrival of CIR events is taken to be the travel time of density compressions as seen in a noninertial frame according to a radial solar wind speed of 500 km/s and a distance of 1 AU. We were able to forecast the timing of CIR-induced geomagnetic activity to within 12 h for 17 out of 28 events by using the expected recurrence of the events through multiple Bartel rotations together with SOHO and STEREO coronal hole sightings made 3.5 days before every event. The uncertainty in the IMF Bz led to a forecast of levels of geomagnetic activity on an ensemble basis, yielding a distribution of different possible Dst signatures. We used a 10-sample ensemble and a 50-sample ensemble to obtain typical representations of geomagnetic activity. Depending on the periodicity and intensity of fluctuations in Bz, we obtained higher or lower levels of activity and shorter or longer times for the recovery of the Dst to quiet levels.

  6. Evaluation of intensity and energy interaction parameters for the complexation of Pr(III) with selected nucleoside and nucleotide through absorption spectral studies

    NASA Astrophysics Data System (ADS)

    Bendangsenla, N.; Moaienla, T.; David Singh, Th.; Sumitra, Ch.; Rajmuhon Singh, N.; Indira Devi, M.

    2013-02-01

    The interactions of Pr(III) with nucleosides and nucleotides have been studied in different organic solvents employing absorption difference and comparative absorption spectrophotometry. The magnitudes of the variations in both energy and intensity interaction parameters were used to explore the degree of outer and inner sphere co-ordination, incidence of covalency and the extent of metal 4f-orbital involvement in chemical bonding. Various electronic spectral parameters like Slater-Condon (Fk), Racah (Ek), Lande parameter (?4f), Nephelauxatic ratio (?), bonding (b1/2), percentage covalency (?) and intensity parameters like oscillator strength (P) and Judd Ofelt electronic dipole intensity parameter (T?, ? = 2, 4, 6) have been evaluated. The variation of these evaluated parameters were employed to interpret the nature of binding of Pr(III) with different ligands i.e. Adenosine/ATP in presence and absence of Ca2+.

  7. Multi-cellular interactions sustain long-term contractility of human pluripotent stem cell-derived cardiomyocytes

    PubMed Central

    Burridge, Paul W; Metzler, Scott A; Nakayama, Karina H; Abilez, Oscar J; Simmons, Chelsey S; Bruce, Marc A; Matsuura, Yuka; Kim, Paul; Wu, Joseph C; Butte, Manish; Huang, Ngan F; Yang, Phillip C

    2014-01-01

    Therapeutic delivery of cardiomyocytes derived from human pluripotent stem cells (hPSC-CMs) represents a novel clinical approach to regenerate the injured myocardium. However, poor survival and contractility of these cells are a significant bottleneck to their clinical use. To better understand the role of cell-cell communication in enhancing the phenotype and contractile properties of hPSC-CMs, we developed a three-dimensional (3D) hydrogel composed of hPSC-CMs, human pluripotent stem cell-derived endothelial cells (hPSC-ECs), and/or human amniotic mesenchymal stem cells (hAMSCs). The objective of this study was to examine the role of multi-cellular interactions among hPSC-ECs and hAMSCs on the survival and long-term contractile phenotype of hPSC-CMs in a 3D hydrogel. Quantification of spontaneous contractility of hPSC-CMs in tri-culture demonstrated a 6-fold increase in the area of contractile motion after 6 weeks with characteristic rhythmic contraction frequency, when compared to hPSC-CMs alone (P < 0.05). This finding was supported by a statistically significant increase in cardiac troponin T protein expression in the tri-culture hydrogel construct at 6 weeks, when compared to hPSC-CMs alone (P < 0.001). The sustained hPSC-CM survival and contractility in tri-culture was associated with a significant upregulation in the gene expression of L-type Ca2+ ion channel, Cav1.2, and the inward-rectifier potassium channel, Kir2.1 (P < 0.05), suggesting a role of ion channels in mediating these processes. These findings demonstrate that multi-cellular interactions modulate hPSC-CM phenotype, function, and survival, and they will have important implications in engineering cardiac tissues for treatment of cardiovascular diseases. PMID:25628783

  8. From the integrable one-parameter Lai-Sutherland model to a strongly interacting Luttinger liquid state

    NASA Astrophysics Data System (ADS)

    Karnaukhov, I. N.

    2000-12-01

    One parameter family of the Lai-Sutherland models with hard-core repulsive potential is formulated and solved by the Bethe ansatz method in one dimension for an arbitrary core radius (? + 1)/2. The ground-state Bethe ansatz equations are analysed and solved numerically for an arbitrary electron density, several values of color components, and the core radius. The ground-state energy, the Fermi velocity, and the critical exponents describing the asymptotic behavior of the correlation functions at long distances have been calculated numerically for an arbitrary density of electrons. In contrast to the integrable models studied previously, the long-distance behavior is described by a strongly interacting Luttinger liquid state. This state is characterized by a large value of the critical exponent ? for the momentum distribution function (? > 1) and realized at a high electron density region n > nc(?(nc) = 1).

  9. Isotherms, Order Parameter and Density Profiles for Weakly Interacting Bose Gases within Three Mean-Field Theories

    NASA Astrophysics Data System (ADS)

    Olivares-Quiroz, L.; Romero-Rochin, V.

    2011-07-01

    In this work we consider three mean field approximations of standard use in the literature to describe the weakly interacting Bose gas confined in a box of volume V. For these approximations we calculate the corresponding isotherms ?= ?( ?, T), where ? is the chemical potential, ? the particle density and T the absolute temperature. In particular we address this calculation at the nanokelvin regime for a gas parameter ?= ? as3? 1 where the Bose-Einstein Condensation in alkali atoms is observed. The non singled value observed for the equation of state ?= ?( ?, T) suggests strongly that the approximations considered here do not capture properly the thermodynamic behavior in the vicinity of the BEC transition. In order to support this statement we calculate the so-called order parameter ?( T)= N 0( T)/ N from 0? T? T c where N 0 represents the number of particles within the condensate, N the total number of particles and T c the critical temperature. Both results suggest that the three mean-field theories considered here, Hartree-Fock (HF), Popov (P) and Yukalov-Yukalova (Ykv) do not predict a second order phase transition as the BEC transition in weakly interacting gases is expected to show. Using the Local Density Approximation (LDA) we extend these calculation to obtain the density profiles ?(r) for an inhomogeneous Bose gas trapped in a harmonic external potential V_{ext}(r). As expected the density profiles show that the confinement is not enough to override the anomalies observed in the thermodynamic quantities for the gas confined in a box of volume V.

  10. Determination of optimum process parameters for peroxidase-catalysed treatment of bisphenol A and application to the removal of bisphenol derivatives.

    PubMed

    Yamada, Kazunori; Ikeda, Naoya; Takano, Yoko; Kashiwada, Ayumi; Matsuda, Kiyomi; Hirata, Mitsuo

    2010-03-01

    Systematic investigations were carried out to determine the optimum process parameters such as the hydrogen peroxide (H2O2) concentration, concentration and molar mass of poly(ethylene glycol) (PEG) as an additive, pH value, temperature and enzyme dose for treatment of bisphenol A (BPA) with horseradish peroxidase (HRP). The HRP-catalysed treatment of BPA was effectively enhanced by adding PEG, and BPA was completely converted into phenoxy radicals by HRP dose of 0.10 U/cm3. The optimum conditions for HRP-catalysed treatment of BPA at 0.3 mM was determined to be 0.3 mM for H2O2 and 0.10 mg/cm3 for PEG with a molar mass of 1.0 x 10(4) in a pH 6.0 buffer at 30 degrees C. Different kinds of bisphenol derivatives were completely or effectively treated by HRP under the optimum conditions determined for treatment of BPA, although the HRP dose was further increased as necessary for some of them. The aggregation of water-insoluble oligomers generated by the enzymatic radicalization and radical coupling reaction was enhanced by decreasing the pH values to 4.0 with HCl after the enzymatic treatment, and BPA and bisphenol derivatives were removed from aqueous solutions by filtering out the oligomer precipitates. PMID:20426266

  11. Tables and graphs of electron-interaction cross sections from 10 eV to 100 GeV derived from the LLNL Evaluated Electron Data Library (EEDL), Z = 1--100

    SciTech Connect

    Perkins, S.T.; Cullen, D.E. (Lawrence Livermore National Lab., CA (United States)); Seltzer, S.M. (National Inst. of Standards and Technology (NML), Gaithersburg, MD (United States). Center for Radiation Research)

    1991-11-12

    Energy-dependent evaluated electron interaction cross sections and related parameters are presented for elements H through Fm (Z = 1 to 100). Data are given over the energy range from 10 eV to 100 GeV. Cross sections and average energy deposits are presented in tabulated and graphic form. In addition, ionization cross sections and average energy deposits for each shell are presented in graphic form. This information is derived from the Livermore Evaluated Electron Data Library (EEDL) as of July, 1991.

  12. Determination of pharmacological interactions of uliginosin B, a natural phloroglucinol derivative, with amitriptyline, clonidine and morphine by isobolographic analysis.

    PubMed

    Stolz, Eveline D; Müller, Liz G; Antonio, Camila B; da Costa, Paola F; von Poser, Gilsane L; Noël, François; Rates, Stela M K

    2014-10-15

    Uliginosin B is a natural phloroglucinol derivative, obtained from Hypericum species native to South America. Previous studies have shown that uliginosin B presents antidepressant-like and antinociceptive effects. Although its mechanism of action is still not completely elucidated, it is known that it involves the activation of monoaminergic neurotransmission. The aim of the current study was to further investigate the antinociceptive mechanism of action of uliginosin B by combining it with different drugs used for treating pain in clinical practice. The intraperitoneal administration of uliginosin B, morphine, amitriptyline and clonidine, alone or in mixture, produced a dose-dependent antinociceptive effect in the hot-plate assay in mice. The effect of the mixtures of drugs was studied using an adapted isobologram analysis at the effect level of 50% of the maximal effect observed. The analysis showed that the interactions between uliginosin B and morphine was synergistic, while the interactions between uliginosin B and amitriptyline or clonidine were additive. These findings point to uliginosin B as a potential adjuvant for pain pharmacotherapy, especially for opioid analgesia. PMID:25442277

  13. Peptide-Based Interactions with Calnexin Target Misassembled Membrane Proteins into Endoplasmic Reticulum-Derived Multilamellar Bodies

    PubMed Central

    Korkhov, Vladimir M.; Milan-Lobo, Laura; Zuber, Benoît; Farhan, Hesso; Schmid, Johannes A.; Freissmuth, Michael; Sitte, Harald H.

    2015-01-01

    Oligomeric assembly of neurotransmitter transporters is a prerequisite for their export from the endoplasmic reticulum (ER) and their subsequent delivery to the neuronal synapse. We previously identified mutations, e.g., in the ?-aminobutyric acid (GABA) transporter-1 (GAT1), which disrupted assembly and caused retention of the transporter in the ER. Using one representative mutant, GAT1-E101D, we showed here that ER retention was due to association of the transporter with the ER chaperone calnexin: interaction with calnexin led to accumulation of GAT1 in concentric bodies corresponding to previously described multilamellar ER-derived structures. The transmembrane domain of calnexin was necessary and sufficient to direct the protein into these concentric bodies. Both yellow fluorescent protein-tagged versions of wild-type GAT1 and of the GAT1-E101D mutant remained in disperse (i.e., non-aggregated) form in these concentric bodies, because fluorescence recovered rapidly (t1/2 ~500 ms) upon photobleaching. Fluorescence energy resonance transfer microscopy was employed to visualize a tight interaction of GAT1-E101D with calnexin. Recognition by calnexin occurred largely in a glycan-independent manner and, at least in part, at the level of the transmembrane domain. Our findings are consistent with a model in which the transmembrane segment of calnexin participates in chaperoning the inter- and intramolecular arrangement of hydrophobic segment in oligomeric proteins. PMID:18367207

  14. A knowledge-based scoring function for protein-RNA interactions derived from a statistical mechanics-based iterative method

    PubMed Central

    Huang, Sheng-You; Zou, Xiaoqin

    2014-01-01

    Protein-RNA interactions play important roles in many biological processes. Given the high cost and technique difficulties in experimental methods, computationally predicting the binding complexes from individual protein and RNA structures is pressingly needed, in which a reliable scoring function is one of the critical components. Here, we have developed a knowledge-based scoring function, referred to as ITScore-PR, for protein-RNA binding mode prediction by using a statistical mechanics-based iterative method. The pairwise distance-dependent atomic interaction potentials of ITScore-PR were derived from experimentally determined protein–RNA complex structures. For validation, we have compared ITScore-PR with 10 other scoring methods on four diverse test sets. For bound docking, ITScore-PR achieved a success rate of up to 86% if the top prediction was considered and up to 94% if the top 10 predictions were considered, respectively. For truly unbound docking, the respective success rates of ITScore-PR were up to 24 and 46%. ITScore-PR can be used stand-alone or easily implemented in other docking programs for protein–RNA recognition. PMID:24476917

  15. Brain-derived neurotrophic factor as a model system for examining gene by environment interactions across development.

    PubMed

    Casey, B J; Glatt, C E; Tottenham, N; Soliman, F; Bath, K; Amso, D; Altemus, M; Pattwell, S; Jones, R; Levita, L; McEwen, B; Magariños, A M; Gunnar, M; Thomas, K M; Mezey, J; Clark, A G; Hempstead, B L; Lee, F S

    2009-11-24

    There has been a dramatic rise in gene x environment studies of human behavior over the past decade that have moved the field beyond simple nature versus nurture debates. These studies offer promise in accounting for more variability in behavioral and biological phenotypes than studies that focus on genetic or experiential factors alone. They also provide clues into mechanisms of modifying genetic risk or resilience in neurodevelopmental disorders. Yet, it is rare that these studies consider how these interactions change over the course of development. In this paper, we describe research that focuses on the impact of a polymorphism in a brain-derived neurotrophic factor (BDNF) gene, known to be involved in learning and development. Specifically we present findings that assess the effects of genotypic and environmental loadings on neuroanatomic and behavioral phenotypes across development. The findings illustrate the use of a genetic mouse model that mimics the human polymorphism, to constrain the interpretation of gene-environment interactions across development in humans. PMID:19358879

  16. Interactions of histatin 5 and histatin 5-derived peptides with liposome membranes: surface effects, translocation and permeabilization.

    PubMed Central

    Den Hertog, Alice L; Wong Fong Sang, Harro W; Kraayenhof, Ruud; Bolscher, Jan G M; Van't Hof, Wim; Veerman, Enno C I; Nieuw Amerongen, Arie V

    2004-01-01

    A number of cationic antimicrobial peptides, among which are histatin 5 and the derived peptides dhvar4 and dhvar5, enter their target cells and interact with internal organelles. There still are questions about the mechanisms by which antimicrobial peptides translocate across the membrane. We used a liposome model to study membrane binding, translocation and membrane-perturbing capacities of histatin 5, dhvar4 and dhvar5. Despite the differences in amphipathic characters of these peptides, they bound equally well to liposomes, whereas their membrane activities differed remarkably: dhvar4 translocated at the fastest rate, followed by dhvar5, whereas the histatin 5 translocation rate was much lower. The same pattern was seen for the extent of calcein release: highest with dhvar4, less with dhvar5 and almost none with histatin 5. The translocation and disruptive actions of dhvar5 did not seem to be coupled, because translocation occurred on a much longer timescale than calcein release, which ended within a few minutes. We conclude that peptide translocation can occur through peptide-phospholipid interactions, and that this is a possible mechanism by which antimicrobial peptides enter cells. However, the translocation rate was much lower in this model membrane system than that seen in yeast cells. Thus it is likely that, at least for some peptides, additional features promoting the translocation across biological membranes are involved as well. PMID:14733612

  17. Social anxiety, acute social stress, and reward parameters interact to predict risky decision-making among adolescents.

    PubMed

    Richards, Jessica M; Patel, Nilam; Daniele-Zegarelli, Teresa; MacPherson, Laura; Lejuez, C W; Ernst, Monique

    2015-01-01

    Risk-taking behavior increases during adolescence, leading to potentially disastrous consequences. Social anxiety emerges in adolescence and may compound risk-taking propensity, particularly during stress and when reward potential is high. However, the manner in which social anxiety, stress, and reward parameters interact to impact adolescent risk-taking is unclear. To clarify this question, a community sample of 35 adolescents (15-18yo), characterized as having high or low social anxiety, participated in a study over two separate days, during each of which they were exposed to either a social stress or a control condition, while performing a risky decision-making task. The task manipulated, orthogonally, reward magnitude and probability across trials. Three findings emerged. First, reward magnitude had a greater impact on the rate of risky decisions in high social anxiety (HSA) than low social anxiety (LSA) adolescents. Second, reaction times (RTs) were similar during the social stress and the control conditions for the HSA group, whereas the LSA group's RTs differed between conditions. Third, HSA adolescents showed the longest RTs on the most negative trials. These findings suggest that risk-taking in adolescents is modulated by context and reward parameters differentially as a function of social anxiety. PMID:25465884

  18. Interface contributions to the spin-orbit interaction parameters of electrons at the (001) GaAs/AlGaAs interface

    NASA Astrophysics Data System (ADS)

    Devizorova, Zh. A.; Shchepetilnikov, A. V.; Nefyodov, Yu. A.; Volkov, V. A.; Kukushkin, I. V.

    2014-09-01

    One-body mechanisms of spin splitting of the energy spectrum of 2D electrons in a one-side doped (001) GaAs/Al x Ga1 - x As quantum well have been studied theoretically and experimentally. The interfacial spin splitting has been shown to compensate (enhance) considerably the contribution of the bulk Dresselhaus (Bychkov-Rashba) mechanism. The theoretical approach is based on the solution of the effective mass equation in a quasi-triangular well supplemented by a new boundary condition at a high and atomically sharp hetero-barrier. The model takes into account the spin-orbit interaction of electrons with both bulk and interfacial crystal potential having C 2 v symmetry, as well as the lack of inversion symmetry and nonparabolicity of the conduction band in GaAs. The effective 2D spin Hamiltonian including both bulk and interface contributions to the Dresselhaus (?BIA) and Rashba (?SIA) constants has been derived. The analytical relation between these constants and the components of the anisotropic nonlinear g-factor tensor in an oblique quantizing magnetic field has been found. The experimental approach is based, on one hand, on the detection of electron spin resonance in the microwave range and, on the other hand, on photoluminescence measurements of the nonparabolicity parameter. The interface contributions to ?BIA and ?SIA have been found from comparison with the theory.

  19. The spectrum of the very massive binary system WR 20a (WN6ha + WN6ha): Fundamental parameters and wind interactions

    NASA Astrophysics Data System (ADS)

    Rauw, G.; Crowther, P. A.; De Becker, M.; Gosset, E.; Nazé, Y.; Sana, H.; van der Hucht, K. A.; Vreux, J.-M.; Williams, P. M.

    2005-03-01

    We analyse the optical spectrum of the very massive binary system WR 20a (WN6ha + WN6ha). The most prominent emission lines, H? and He ii ? 4686, display strong phase-locked profile variability. From the variations of their equivalent widths and from a tomographic analysis, we find that part of the line emission probably arises in a wind interaction region between the stars. Our analysis of the optical spectrum of WR 20a indicates a reddening of AV ? 6.0 mag and a distance of 7.9 kpc, suggesting that the star actually belongs to the open cluster Westerlund 2. The location of the system at ˜ 1.1 pc from the cluster core could indicate that WR 20a was gently ejected from the core via dynamical interactions. Using a non-LTE model atmosphere code, we derive the fundamental parameters of each component: Teff = 43 000 ± 2000 K, log{Lbol/L?} ? 6.0, dot{M} = 8.5 × 10-6 M? yr-1 (assuming a clumped wind with a volume filling factor f = 0.1). Nitrogen is enhanced in the atmospheres of the components of WR 20a, while carbon is definitely depleted. Finally, the position of the binary components in the Hertzsprung-Russell diagram suggests that they are core hydrogen burning stars in a pre-LBV stage and their current atmospheric chemical composition probably results from rotational mixing that might be enhanced in a close binary compared to a single star of same age. Based on observations collected at the European Southern Observatory, La Silla, Chile.

  20. Structural energetics of protein–carbohydrate interactions: Insights derived from the study of lysozyme binding to its natural saccharide inhibitors

    PubMed Central

    García-Hernández, Enrique; Zubillaga, Rafael A.; Chavelas-Adame, Eneas A.; Vázquez-Contreras, Edgar; Rojo-Domínguez, Arturo; Costas, Miguel

    2003-01-01

    High-sensitivity isothermal titration calorimetry was used to characterize the binding of the glycohydrolitic enzyme hen egg-white lysozyme to its natural saccharide inhibitors, chitobiose and chitrotriose. Measurements were done at a pH of 4.7, in the 15°C –45°C temperature range. Using a structural-energetic parameterization derived previously for lectin-carbohydrate associations, both binding enthalpies and entropies for the present systems and for the complex of chitobiose with turkey egg-white lysozyme from the literature were correctly accounted for. These observations suggest that both lysozymes and lectins follow the same structural-energetic behavior in the binding to their ligands. From the analysis of lysozyme data in conjunction with other binding data reported in the literature, an ad hoc parameterization of ?Cp for protein–carbohydrate complexes was derived for the first time. The novel parameters for both polar and apolar surface areas differed significantly from correlations obtained previously from model compounds and protein-folding data. As ?Cp is extremely sensitive to changes in solvent structure, this finding indicates that protein–carbohydrate complexes have distinctive hydration properties. According to our analysis, the dehydration of polar groups is the major cause for the observed decrease in ?Cp, which implies that these groups behave hydrophobically. The contribution of apolar surface areas was found of the expected sign, but their specific weight is much smaller than those obtained in other correlations. This small contribution to ?Cp is consistent with Lemieux’s hypothesis of a low degree of hydration of apolar surfaces on carbohydrates. PMID:12493836

  1. Temporal variation and interaction of full size spectrum Alcian blue stainable materials and water quality parameters in a reservoir.

    PubMed

    Thuy, Nguyen Thi; Lin, Justin Chun-Te; Juang, Yaju; Huang, Chihpin

    2015-07-01

    This paper reports on the fate of different fractions of Alcian blue (AB) stainable material in Pao-Shan reservoir, Taiwan, in a one-year study (2013-2014) and an intensive study during phytoplankton bloom (2014). The interactions between the fractions, including AB stained particles, particle and colloidal transparent exopolymer particles (pTEP and cTEP), dissolved acid polysaccharide (dAPS), and their relationship to other water quality parameters were analyzed. The Flow Cytometer and Microscope (FlowCAM) was for first time used to characterize AB stained particles. The results of the one-year study likely showed relationships of pTEP concentration to phytoplankton count and chlorophyll a, while in the intensive study, AB stained particles abundance and pTEP concentration were correlated neither phytoplankton count nor chlorophyll a, but strongly positively correlated with some phytoplankton species' abundance. The difference indicates that sampling frequency and phytoplankton composition should be addressed for studying the links between AB stained fractions and phytoplankton. The interaction between different AB stained fractions further suggests that the majority of AB stained particles and pTEP would be directly generated by some phytoplankton species, whereas their abiotic generation by cTEP or dAPS may only have contributed partly to their formation. This differs from previous studies which generally posited that pTEP are mainly formed abiotically from dissolved precursors. Successful application of FlowCAM for visualization of AB stained particles recommends this technique by which particle morphologies can be conserved and morphological features of particle can be simultaneously elucidated. PMID:25835149

  2. Measurement of the ?-asymmetry parameter of Cu67 in search for tensor-type currents in the weak interaction

    NASA Astrophysics Data System (ADS)

    Soti, G.; Wauters, F.; Breitenfeldt, M.; Finlay, P.; Herzog, P.; Knecht, A.; Köster, U.; Kraev, I. S.; Porobic, T.; Prashanth, P. N.; Towner, I. S.; Tramm, C.; Zákoucký, D.; Severijns, N.

    2014-09-01

    Background: Precision measurements at low energy search for physics beyond the standard model in a way complementary to searches for new particles at colliders. In the weak sector the most general ?-decay Hamiltonian contains, besides vector and axial-vector terms, also scalar, tensor, and pseudoscalar terms. Current limits on the scalar and tensor coupling constants from neutron and nuclear ? decay are on the level of several percent. Purpose: Extracting new information on tensor coupling constants by measuring the ?-asymmetry parameter in the pure Gamow-Teller decay of Cu67, thereby testing the V-A structure of the weak interaction. Method: An iron sample foil into which the radioactive nuclei were implanted was cooled down to mK temperatures in a 3He-4He dilution refrigerator. An external magnetic field of 0.1 T, in combination with the internal hyperfine magnetic field, oriented the nuclei. The anisotropic ? radiation was observed with planar high-purity germanium detectors operating at a temperature of about 10 K. An on-line measurement of the ? asymmetry of Cu68 was performed as well for normalization purposes. Systematic effects were investigated using geant4 simulations. Results: The experimental value, Ã=0.587(14), is in agreement with the standard model value of 0.5991(2) and is interpreted in terms of physics beyond the standard model. The limits obtained on possible tensor-type charged currents in the weak interaction Hamiltonian are -0.045<(CT+CT')/CA<0.159 (90% C.L.). Conclusions: The obtained limits are comparable to limits from other correlation measurements in nuclear ? decay and contribute to further constraining tensor coupling constants.

  3. Measurement of the $?$-asymmetry parameter of $^{67}$Cu in search for tensor type currents in the weak interaction

    E-print Network

    G. Soti; F. Wauters; M. Breitenfeldt; P. Finlay; P. Herzog; A. Knecht; U. Köster; I. S. Kraev; T. Porobic; P. N. Prashanth; I. S. Towner; C. Tramm; D. Zákoucký; N. Severijns

    2014-09-05

    Precision measurements at low energy search for physics beyond the Standard Model in a way complementary to searches for new particles at colliders. In the weak sector the most general $\\beta$ decay Hamiltonian contains, besides vector and axial-vector terms, also scalar, tensor and pseudoscalar terms. Current limits on the scalar and tensor coupling constants from neutron and nuclear $\\beta$ decay are on the level of several percent. The goal of this paper is extracting new information on tensor coupling constants by measuring the $\\beta$-asymmetry parameter in the pure Gamow-Teller decay of $^{67}$Cu, thereby testing the V-A structure of the weak interaction. An iron sample foil into which the radioactive nuclei were implanted was cooled down to milliKelvin temperatures in a $^3$He-$^4$He dilution refrigerator. An external magnetic field of 0.1 T, in combination with the internal hyperfine magnetic field, oriented the nuclei. The anisotropic $\\beta$ radiation was observed with planar high purity germanium detectors operating at a temperature of about 10\\,K. An on-line measurement of the $\\beta$ asymmetry of $^{68}$Cu was performed as well for normalization purposes. Systematic effects were investigated using Geant4 simulations. The experimental value, $\\tilde{A}$ = 0.587(14), is in agreement with the Standard Model value of 0.5991(2) and is interpreted in terms of physics beyond the Standard Model. The limits obtained on possible tensor type charged currents in the weak interaction hamiltonian are -0.045 $nuclear $\\beta$ decay and contribute to further constraining tensor coupling constants.

  4. Glycosaminoglycans in human retinoblastoma cells: Heparan sulfate, a modulator of the pigment epithelium-derived factor-receptor interactions

    PubMed Central

    Alberdi, Elena M; Weldon, John E; Becerra, S Patricia

    2003-01-01

    Background Pigment epithelium-derived factor (PEDF) has binding affinity for cell-surface receptors in retinoblastoma cells and for glycosaminoglycans. We investigated the effects of glycosaminoglycans on PEDF-receptor interactions. Results 125I-PEDF formed complexes with protease-resistant components of medium conditioned by human retinoblastoma Y-79 cells. Using specific glycosaminoglycan degrading enzymes in spectrophotometric assays and PEDF-affinity chromatography, we detected heparin and heparan sulfate-like glycosaminoglycans in the Y-79 conditioned media, which had binding affinity for PEDF. The Y-79 conditioned media significantly enhanced the binding of 125I-PEDF to Y-79 cell-surface receptors. However, enzymatic and chemical depletion of sulfated glycosaminoglycans from the Y-79 cell cultures by heparitinase and chlorate treatments decreased the degree of 125I-PEDF binding to cell-surface receptors. Conclusions These data indicate that retinoblastoma cells secrete heparin/heparan sulfate with binding affinity for PEDF, which may be important in efficient cell-surface receptor binding. PMID:12625842

  5. Atrazine immobilization on sludge derived biochar and the interactive influence of coexisting Pb(II) or Cr(VI) ions.

    PubMed

    Zhang, Weihua; Zheng, Juan; Zheng, Pingping; Qiu, Rongliang

    2015-09-01

    Sludge derived biochars (SDBCs) may have the potential to simultaneously remove heavy metals and organic contaminants in relation to their various active sorption sites for both metal ions and organic compounds. SDBCs have been proven to provide a considerable capacity for immobilizing Pb(II) and Cr(VI) ions in solution, and in this study their ability to sorb atrazine, in addition to their corresponding interactive influences with coexisting metal ions, is extensively investigated. The results indicate that all atrazine adsorption isotherms fit well with the Freundlich equation, and the greatest value of 16.8mgg(-1) sorption capacity occurred with SDBCs pyrolyzed at 400°C for 2h. The slow sorption kinetics fit well with the Lagergren's 2nd order reaction, and depend upon the initial atrazine concentration, indicating the significance of a site-specific process. The ionic strength-dependence of the atrazine adsorption behavior further consolidates the involvement of the mechanism of the H-bond with hydroxyl groups on SDBC. However, when Pb(II)/Cr(VI) metal ions coexist in solution, they substantially suppress atrazine adsorption, probably because the inner complex between the hydroxyl groups on SDBCs and Pb(II)/Cr(III) ions intrude the weak H-bond with atrazine. As a result, metal adsorption was found to be unaffected by the coexisting atrazine. Therefore, although SDBC is applicable for atrazine removal/immobilization in most of environmentally relevant conditions, a two-step process may be required if heavy metal ions coexist. PMID:25989523

  6. A Process-based, Climate-Sensitive Model to Derive Methane Emissions from Natural Wetlands: Application to 5 Wetland Sites, Sensitivity to Model Parameters and Climate

    NASA Technical Reports Server (NTRS)

    Walter, Bernadette P.; Heimann, Martin

    1999-01-01

    Methane emissions from natural wetlands constitutes the largest methane source at present and depends highly on the climate. In order to investigate the response of methane emissions from natural wetlands to climate variations, a 1-dimensional process-based climate-sensitive model to derive methane emissions from natural wetlands is developed. In the model the processes leading to methane emission are simulated within a 1-dimensional soil column and the three different transport mechanisms diffusion, plant-mediated transport and ebullition are modeled explicitly. The model forcing consists of daily values of soil temperature, water table and Net Primary Productivity, and at permafrost sites the thaw depth is included. The methane model is tested using observational data obtained at 5 wetland sites located in North America, Europe and Central America, representing a large variety of environmental conditions. It can be shown that in most cases seasonal variations in methane emissions can be explained by the combined effect of changes in soil temperature and the position of the water table. Our results also show that a process-based approach is needed, because there is no simple relationship between these controlling factors and methane emissions that applies to a variety of wetland sites. The sensitivity of the model to the choice of key model parameters is tested and further sensitivity tests are performed to demonstrate how methane emissions from wetlands respond to climate variations.

  7. Cirrus cloud radiative forcing at the top of atmosphere using the nighttime global distribution with the microphysical parameters derived from AVHRR

    NASA Astrophysics Data System (ADS)

    Katagiri, Shuichiro; Sekiguchi, Miho; Hayasaka, Tadahiro; Nakajima, Teruyuki

    2013-05-01

    The radiative effect of cirrus clouds is particularly ambiguous in the climate research. We calculated the global cirrus cloud radiative forcing (CRFci) distributions at the top of the atmosphere (TOA) using the cloud microphysical parameters of effective radius (Re), optical thickness (COT) and the cloud top temperature (CTT) derived from AVHRR nighttime data. The results indicate that cirrus clouds warm the atmosphere, and in particular produce a large warming effect in the tropics. We also computed the dependence of radiative forcing on the effective radius of cloud particles, the optical thickness of the cloud, and the cloud-top temperature (CTT) and determined that cooling effects occur with clouds when their optical thickness is greater than 4.0˜4.5 with a cloud top temperature of 220K and 2.5˜3.0 with a cloud top temperature of 235K. Cloud radiative forcing in April 1987 (El Niño year) and April 1990 (neutral year) were computed, and found that a larger amount of cirrus clouds appeared in the tropics off Peru in 1987 than in 1990. But the globally averaged net cloud radiative forcing was smaller by 0.55W/m2 in 1987 than in 1990. Consequently, the temperature distribution of the oceans has a global effect on atmospheric warming and cooling.

  8. Lattice cluster theory of associating polymers. II. Enthalpy and entropy of self-assembly and Flory-Huggins interaction parameter ? for solutions of telechelic molecules

    NASA Astrophysics Data System (ADS)

    Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.

    2012-02-01

    The lattice cluster theory for solutions of telechelic polymer chains, developed in paper I, is applied to determine the enthalpy ?hp and entropy ?sp of self-assembly of linear telechelics and to evaluate the Flory-Huggins (FH) interaction parameter ? governing the phase behavior of these systems. Particular focus is placed on examining how these interaction variables depend on the composition of the solution, temperature, van der Waals and local "sticky" interaction energies, and the length of the individual telechelic chains. The FH interaction parameter ? is found to exhibit an entropy-enthalpy compensation effect between the "entropic" and "enthalpic" portions as either the composition or mass of the telechelic species is varied, providing unique theoretical insights into this commonly reported, yet, enigmatic phenomenon.

  9. Interactions between butterfly-shaped pulses in the inhomogeneous media

    NASA Astrophysics Data System (ADS)

    Liu, Wen-Jun; Huang, Long-Gang; Pan, Nan; Lei, Ming

    2014-10-01

    Pulse interactions affect pulse qualities during the propagation. Interactions between butterfly-shaped pulses are investigated to improve pulse qualities in the inhomogeneous media. In order to describe the interactions between butterfly-shaped pulses, analytic two-soliton solutions are derived. Based on those solutions, influences of corresponding parameters on pulse interactions are discussed. Methods to control the pulse interactions are suggested.

  10. Analytical second derivatives for excited electronic states using the single excitation configuration interaction method: theory and application to benzo[a]pyrene and chalcone

    Microsoft Academic Search

    David Maurice; Martin Head-Gordon

    1999-01-01

    A compact formulation and a semi-direct implementation are described of analytical second derivatives of the single excitation configuration interaction (CIS) energy. CPU time, memory usage and disc storage all scale with the same power of system size as the ground state Hartree-Fock (HF) method, with a coefficient only 2 to 3 times larger. Thus usually analytical excited state CIS frequencies

  11. Chlorine Isotope Evidence for Syn-Subduction Modification of Serpentinites by Interaction with Sediment-Derived Fluid

    NASA Astrophysics Data System (ADS)

    Selverstone, J.; Sharp, Z. D.

    2012-12-01

    High-pressure serpentinites and rodingites and high- to ultrahigh-pressure metasedimentary rocks from the Aosta region, Italy, preserve strikingly different chlorine isotope compositions that can be used to constrain the nature of fluid-rock interactions during subduction. Serpentinites and rodingitized gabbroic dikes subducted to 70-80 km have bulk ?37Cl values between -1.6 and +0.9‰ (median= -0.5‰, n=26 plus 5 replicates; one amphibole-vein outlier at -2.9‰). Serpentinite ?37Cl values are positively correlated with Cr ± Cl contents (r2= 0.97 and 0.58) and negatively correlated with CaO (r2=0.72). BSE imaging and X-ray mapping reveal up to three generations of compositionally distinct serpentine and chlorite in single samples. The youngest generation, which is most abundant, has the lowest chlorine content. Three rodingite samples contain abundant texturally early fluid inclusions. These samples were finely crushed and leached in 18 M? H2O to extract water-soluble chlorides. The leachates, which are assumed to record the compositions of the fluid inclusions, have ?37Cl values that are 0.7-1.5‰ lower than the corresponding bulk rock values. Leachate from the outlier amph-magnesite vein is indistinguishable from the bulk value at -2.7‰. There is almost no overlap between the Cl isotope compositions of HP serp/rod samples and associated HP/UHP metasedimentary rocks. Calcmica schists, diamond-bearing Mn nodules, and impure marbles subducted to >130 km and calcmica schists and Mn crusts transported to 70-80 km have ?37Cl values between -4.5 and -1.5‰ (median= -2.7‰, n=25 plus 7 replicates; two outlier points at -0.5‰). Primary fluid inclusions in the diamondiferous samples contain carbonate- and silicate-bearing aqueous fluids with very low chloride contents (Frezzotti et al., 2011, Nature Geosci). Taken together, these data record a history of progressive modification of serpentinites and rodingites by mixing with low-?37Cl, low-Cl, high-Ca fluids during subduction and metamorphism. Serpentinites with the highest Cr contents have Cl isotopic compositions identical to those of modern seafloor serpentinites (?37Cl=0.2-0.6‰), consistent with primary serpentinization by seawater (e.g., Barnes et al. 2009, Lithos). Low-Cr serpentinites record significant interaction with a Ca-rich fluid that shifted the rocks to lower ?37Cl values and diluted the original Cr and Cl contents. The fluid was likely derived from continuous devolatilization reactions in associated low-?37Cl, calcareous metasedimentary rocks. These data have important implications for models of subduction mass transfer associated with antigorite breakdown. If serpentinites are commonly modified by interaction with metasedimentary fluids prior to antigorite dehydration, chemical signatures imparted during deserpentinization will reflect the integrated history of fluid-rock interaction in the subduction channel rather than an endmember "serpentinite signature". The data further suggest that Cl may be hydrophobic in HP/UHP carbonate-bearing aqueous fluids, resulting in generation of low-Cl fluid during metamorphic devolatilization.

  12. Trends and interactions of physical and bio-geo-chemical features in the Adriatic Sea as derived from satellite observations.

    PubMed

    Barale, Vittorio; Schiller, Christian; Tacchi, Ruggero; Marechal, Cecile

    2005-12-15

    Time series of satellite data, generated by the AVHRR (1981-1999), CZCS (1979-1985) and SeaWiFS (1998-2002), have been used to assess trends and interactions of physical and bio-geo-chemical features in the Adriatic Sea. The images were processed to estimate Sea Surface Temperature (SST) and Chlorophyll-like Pigment Concentration (CPC). Long-term composites and climatologies were derived, using fixed geographical grids and projections. The AVHRR data show an apparent warming trend, when plotting the sequence of seasonal cycles (monthly mean SST, averaged over the whole basin) against time, due to a steady rise of summer values. Considering 3 regions (north, central and south), split into east and west sections, the northern Adriatic shows high SST fluctuations (possibly associated with the cycle of winter cooling and summer warming, typical of the relatively shallow sub-basin), while the southern Adriatic exhibits a lower variability (possibly influenced by the periodic water incoming from, and outflowing to the Ionian Sea). During summer, an east-west gradient prevails, while during winter only a general north-south gradient can be found. The SeaWiFS-derived CPC values, distributions and trends appear to be consistent with the historical CZCS record. Persistent differences in the quantitative assessment of CPC for coastal waters is due to the use of improved algorithms, less influenced by the presence of dissolved organics and suspended sediments in the water column, for the processing of SeaWiFS data. Apparent incongruities of the space and time patterns in the SeaWiFS record with respect to the reference climatology, obtained by CZCS more than a decade before, occur chiefly when considering the spring bloom in the southern Adriatic and the summer development of the north Adriatic front. The comparison of the long-term times series of satellite data shows that there is a high correlation between patterns in the thermal field and in the colour field. This suggests that different surface waters, identified by the SST index, are also traced by different ecological features, identified by the CPC index. Both indices also show a high correlation with the classical cyclonic circulation scheme of the Adriatic Sea, proposing once again an intimate relationship between the water dynamics and its bio-geo-chemistry. PMID:16271746

  13. Interactive effects of elevated CO2 concentration and irrigation on photosynthetic parameters and yield of maize in Northeast China.

    PubMed

    Meng, Fanchao; Zhang, Jiahua; Yao, Fengmei; Hao, Cui

    2014-01-01

    Maize is one of the major cultivated crops of China, having a central role in ensuring the food security of the country. There has been a significant increase in studies of maize under interactive effects of elevated CO2 concentration ([CO2]) and other factors, yet the interactive effects of elevated [CO2] and increasing precipitation on maize has remained unclear. In this study, a manipulative experiment in Jinzhou, Liaoning province, Northeast China was performed so as to obtain reliable results concerning the later effects. The Open Top Chambers (OTCs) experiment was designed to control contrasting [CO2] i.e., 390, 450 and 550 µmol·mol(-1), and the experiment with 15% increasing precipitation levels was also set based on the average monthly precipitation of 5-9 month from 1981 to 2010 and controlled by irrigation. Thus, six treatments, i.e. C550W+15%, C550W0, C450W+15%, C450W0, C390W+15% and C390W0 were included in this study. The results showed that the irrigation under elevated [CO2] levels increased the leaf net photosynthetic rate (Pn) and intercellular CO2 concentration (Ci) of maize. Similarly, the stomatal conductance (Gs) and transpiration rate (Tr) decreased with elevated [CO2], but irrigation have a positive effect on increased of them at each [CO2] level, resulting in the water use efficiency (WUE) higher in natural precipitation treatment than irrigation treatment at elevated [CO2] levels. Irradiance-response parameters, e.g., maximum net photosynthetic rate (Pnmax) and light saturation points (LSP) were increased under elevated [CO2] and irrigation, and dark respiration (Rd) was increased as well. The growth characteristics, e.g., plant height, leaf area and aboveground biomass were enhanced, resulting in an improved of yield and ear characteristics except axle diameter. The study concluded by reporting that, future elevated [CO2] may favor to maize when coupled with increasing amount of precipitation in Northeast China. PMID:24848097

  14. Interactive Effects of Elevated CO2 Concentration and Irrigation on Photosynthetic Parameters and Yield of Maize in Northeast China

    PubMed Central

    Meng, Fanchao; Zhang, Jiahua; Yao, Fengmei; Hao, Cui

    2014-01-01

    Maize is one of the major cultivated crops of China, having a central role in ensuring the food security of the country. There has been a significant increase in studies of maize under interactive effects of elevated CO2 concentration ([CO2]) and other factors, yet the interactive effects of elevated [CO2] and increasing precipitation on maize has remained unclear. In this study, a manipulative experiment in Jinzhou, Liaoning province, Northeast China was performed so as to obtain reliable results concerning the later effects. The Open Top Chambers (OTCs) experiment was designed to control contrasting [CO2] i.e., 390, 450 and 550 µmol·mol?1, and the experiment with 15% increasing precipitation levels was also set based on the average monthly precipitation of 5–9 month from 1981 to 2010 and controlled by irrigation. Thus, six treatments, i.e. C550W+15%, C550W0, C450W+15%, C450W0, C390W+15% and C390W0 were included in this study. The results showed that the irrigation under elevated [CO2] levels increased the leaf net photosynthetic rate (Pn) and intercellular CO2 concentration (Ci) of maize. Similarly, the stomatal conductance (Gs) and transpiration rate (Tr) decreased with elevated [CO2], but irrigation have a positive effect on increased of them at each [CO2] level, resulting in the water use efficiency (WUE) higher in natural precipitation treatment than irrigation treatment at elevated [CO2] levels. Irradiance-response parameters, e.g., maximum net photosynthetic rate (Pnmax) and light saturation points (LSP) were increased under elevated [CO2] and irrigation, and dark respiration (Rd) was increased as well. The growth characteristics, e.g., plant height, leaf area and aboveground biomass were enhanced, resulting in an improved of yield and ear characteristics except axle diameter. The study concluded by reporting that, future elevated [CO2] may favor to maize when coupled with increasing amount of precipitation in Northeast China. PMID:24848097

  15. Comparison of Anomalies and Trends of OLR as Observed by CERES and Computed from Geophysical Parameters Derived from Analysis of AIRS/AMSU Data

    NASA Technical Reports Server (NTRS)

    Susskind, Joel; Molnar, Gyula I.

    2009-01-01

    Anomalies and trends of outgoing longwave radiation (OLR) serve as important indicators of climate change. Several satellite based instruments currently provide information related to OLR. CERES, on board the EOS Aqua and Terra satellites, contains broad band radiometers that measure total flux and short-wave flux, from which OLR is determined. AIRS is a high spectral resolution IR sounder on EOS Aqua that measures IR radiances covering most of the spectral interval 650 cm-1 to 2670 cm-1. These observations enable the determination of detailed information about atmospheric temperature, moisture, and ozone profiles, as well as surface skin temperatures and cloud parameters. The AIRS OLR product is the total flux over the spectral interval 2 cm-1 to2750 cm-1 computed for the surface and atmospheric state determined from AIRS observations. We compared spatial anomalies and trends of OLR, over the seven year period September 2002 through August 2009, as observed by CERES and computed using Version 5 AIRS products. These two sets of OLR anomalies and trends, obtained in very different ways, agree with each other almost perfectly in essentially every detail. This important finding shows that a very stable high spectral infra-red sounder such as AIRS corroborates the anomalies and trends of OLR obtained from CERES. More significantly, anomalies and trends of the individual geophysical parameters derived from AIRS explain the detailed causes of the anomalies and trends of CERES OLR. Both sets of results show that global mean OLR has been decreasing at a rate of 0.12 W/m2/yr over the seven year time period under study. Both also confirm that the primary cause of this is due to changes in the tropics, in which OLR has been decreasing at a rate of 0.27 W/m2/yr. AIRS products show that the decrease of tropical OLR is a result of increasing tropical atmospheric water vapor and cloud cover over the time period studied, which in turn is responding to a very strong E1 Nino/ La Nina cycle. Equatorial ocean temperatures between 160E and 120W cooled considerably during this time period, with corresponding local decreases in mid-tropospheric humidity and cloud cover, resulting in increases in local OLR. This was more than compensated by substantial increases in water vapor and cloud cover elsewhere in the tropics, resulting in a net decrease in tropical OLR.

  16. Comparison of anomalies and trends of OLR as observed by CERES and computed from geophysical parameters derived from analysis of AIRS/AMSU data

    NASA Astrophysics Data System (ADS)

    Susskind, J.; Molnar, G. I.

    2009-12-01

    Anomalies and trends of OLR serve as important indicators of climate change. Several satellite based instruments currently provide information related to OLR. CERES, on board the EOS Aqua and Terra satellites, contains broad band radiometers that measure total flux and short-wave flux, from which OLR is determined. AIRS is a high spectral resolution IR sounder on EOS Aqua that measures IR radiances covering most of the spectral interval 650 cm-1 to 2670 cm-1. These observations enable the determination of detailed information about atmospheric temperature, moisture, and ozone profiles, as well as surface skin temperatures and cloud parameters. The AIRS OLR product is the total flux over the spectral interval 2 cm-1 to2750 cm-1 computed for the surface and atmospheric state determined from AIRS observations. We compared spatial anomalies and trends of OLR, over the seven year period September 2002 through August 2009, as observed by CERES and computed using Version 5 AIRS products. These two sets of OLR anomalies and trends, obtained in very different ways, agree with each other almost perfectly in essentially every detail. This important finding shows that a very stable high spectral infra-red sounder such as AIRS corroborates the anomalies and trends of OLR obtained from CERES. More significantly, anomalies and trends of the individual geophysical parameters derived from AIRS explain the detailed causes of the anomalies and trends of CERES OLR. Both sets of results show that global mean OLR has been decreasing at a rate of 0.12 W/m2/yr over the seven year time period under study. Both also confirm that the primary cause of this is due to changes in the tropics, in which OLR has been decreasing at a rate of 0.27 W/m2/yr. AIRS products show that the decrease of tropical OLR is a result of increasing tropical atmospheric water vapor and cloud cover over the time period studied, which in turn is responding to a very strong El Nino/ La Nina cycle. Equatorial ocean temperatures between 160E and 120W cooled considerably during this time period, with corresponding local decreases in mid-tropospheric humidity and cloud cover, resulting in increases in local OLR. This was more than compensated by substantial increases in water vapor and cloud cover elsewhere in the tropics, resulting in a net decrease in tropical OLR.

  17. Theoretical study on the interaction of pyrrolopyrimidine derivatives as LIMK2 inhibitors: insight into structure-based inhibitor design.

    PubMed

    Shen, Mingyun; Zhou, Shunye; Li, Youyong; Li, Dan; Hou, Tingjun

    2013-10-01

    LIM kinases (LIMKs), downstream of Rho-associated protein kinases (ROCKs) and p21-activated protein kinases (PAKs), are shown to be promising targets for the treatment of cancers. In this study, the inhibition mechanism of 41 pyrrolopyrimidine derivatives as LIMK2 inhibitors was explored through a series of theoretical approaches. First, a model of LIMK2 was generated through molecular homology modeling, and the studied inhibitors were docked into the binding active site of LIMK2 by the docking protocol, taking into consideration the flexibility of the protein. The binding poses predicted by molecular docking for 17 selected inhibitors with different bioactivities complexed with LIMK2 underwent molecular dynamics (MD) simulations, and the binding free energies for the complexes were predicted by using the molecular mechanics/generalized born surface area (MM/GBSA) method. The predicted binding free energies correlated well with the experimental bioactivities (r(2) = 0.63 or 0.62). Next, the free energy decomposition analysis was utilized to highlight the following key structural features related to biological activity: (1) the important H-bond between Ile408 and pyrrolopyrimidine, (2) the H-bonds between the inhibitors and Asp469 and Gly471 which maintain the stability of the DFG-out conformation, and (3) the hydrophobic interactions between the inhibitors and several key residues (Leu337, Phe342, Ala345, Val358, Lys360, Leu389, Ile408, Leu458 and Leu472). Finally, a variety of LIMK2 inhibitors with a pyrrolopyrimidine scaffold were designed, some of which showed improved potency according to the predictions. Our studies suggest that the use of molecular docking with MD simulations and free energy calculations could be a powerful tool for understanding the binding mechanism of LIMK2 inhibitors and for the design of more potent LIMK2 inhibitors. PMID:23881296

  18. Derivation of coupled Maxwell-Schroedinger equations describing matter-laser interaction from first principles of quantum electrodynamics

    SciTech Connect

    Sindelka, Milan [Department of Physics and Minerva Center for Non-Linear Physics of Complex Systems, Technion - Israel Institute of Technology, Haifa IL-32000 (Israel)

    2010-03-15

    We study the general problem of matter-laser interaction within the framework of nonrelativistic quantum electrodynamics, with particular emphasis on strong laser field effects. Consequently, we formulate a well-defined approximation leading in a straightforward manner toward the conventional semiclassical mode of description. Namely, we arrive naturally to two coupled equations of motion: (i) the Schroedinger equation which governs the quantum dynamics of an atomic system driven by classically described radiation field (composed of an incoming laser pulse plus radiation emitted from the atom), and (ii) the classical Maxwell wave equation which describes the emission of radiation from the mentioned atomic source. Employing the formalism of adiabatic Floquet theory, we derive a simple criterion of validity of the just described semiclassical approach. It shows that the semiclassical treatment is justified in most situations. On the other hand, it turns out that the semiclassical approximation breaks down completely in certain special but realistic cases, regardless of the fact that the incoming laser pulse contains a huge number of photons. Under such special circumstances, we anticipate new effects arising due to the quantized nature of the radiation field, to be observable, for example, in harmonic generation spectra. Our considerations are illustrated more explicitly using a simple model of a two-level atom strongly driven by a laser. The quantum dynamics of this model problem is resolved within the framework of quantum electrodynamics while adopting well-defined and physically justifiable approximations. As an outcome, analytic formulas are found serving as a quantitative criterion of (non)applicability of the semiclassical approach and demonstrating the breakdown of semiclassical theory under well-defined conditions. An illustrative numerical calculation is provided.

  19. JOURNAL DE PHYSIQUE Colloque C6, supplkment au no 12, Tome 37, Dkcembre 1976, page C6-651 HYPERFINE INTERACTION PARAMETERS AT IODINE

    E-print Network

    Paris-Sud XI, Université de

    INTERACTION PARAMETERS AT IODINE IN VANADIUM (11) IODIDE FROM lZ9IMOSSBAUER SPECTROSCOPY J. M. FRIEDT and J. P ionsvanadiumprochesvoisins. Abstract. -The charge and spin densities at iodine in vanadium diiodide are obtained from the 1 2 at the iodine site were deduced from a careful computer analysis of the experimental data (Table I). In agree

  20. Peptides derived from human galectin-3 N-terminal tail interact with its carbohydrate recognition domain in a phosphorylation-dependent manner

    SciTech Connect

    Berbís, M. Álvaro [Chemical and Physical Biology Department, Centro de Investigaciones Biológicas, CSIC, 28040 Madrid (Spain)] [Chemical and Physical Biology Department, Centro de Investigaciones Biológicas, CSIC, 28040 Madrid (Spain); André, Sabine [Institute of Physiological Chemistry, Faculty of Veterinary Medicine, Ludwig-Maximilians University, 80539 Munich (Germany)] [Institute of Physiological Chemistry, Faculty of Veterinary Medicine, Ludwig-Maximilians University, 80539 Munich (Germany); Cañada, F. Javier [Chemical and Physical Biology Department, Centro de Investigaciones Biológicas, CSIC, 28040 Madrid (Spain)] [Chemical and Physical Biology Department, Centro de Investigaciones Biológicas, CSIC, 28040 Madrid (Spain); Pipkorn, Rüdiger [Central Peptide Synthesis Unit, German Cancer Research Center, 69120 Heidelberg (Germany)] [Central Peptide Synthesis Unit, German Cancer Research Center, 69120 Heidelberg (Germany); Ippel, Hans [Department of Biochemistry, CARIM, University of Maastricht, Maastricht (Netherlands) [Department of Biochemistry, CARIM, University of Maastricht, Maastricht (Netherlands); Department of Biochemistry, Molecular Biology and Biophysics, University of Minnesota, Minneapolis, MN 55455 (United States); Mayo, Kevin H. [Department of Biochemistry, Molecular Biology and Biophysics, University of Minnesota, Minneapolis, MN 55455 (United States)] [Department of Biochemistry, Molecular Biology and Biophysics, University of Minnesota, Minneapolis, MN 55455 (United States); Kübler, Dieter [Biomolecular Interactions, German Cancer Research Center, 69120 Heidelberg (Germany)] [Biomolecular Interactions, German Cancer Research Center, 69120 Heidelberg (Germany); Gabius, Hans-Joachim [Institute of Physiological Chemistry, Faculty of Veterinary Medicine, Ludwig-Maximilians University, 80539 Munich (Germany)] [Institute of Physiological Chemistry, Faculty of Veterinary Medicine, Ludwig-Maximilians University, 80539 Munich (Germany); Jiménez-Barbero, Jesús, E-mail: jjbarbero@cib.csic.es [Chemical and Physical Biology Department, Centro de Investigaciones Biológicas, CSIC, 28040 Madrid (Spain)] [Chemical and Physical Biology Department, Centro de Investigaciones Biológicas, CSIC, 28040 Madrid (Spain)

    2014-01-03

    Highlights: •Galectin-3 is composed of a carbohydrate recognition domain and an N-terminal tail. •Synthetic peptides derived from the tail are shown to interact with the CRD. •This interaction is modulated by Ser- and Tyr-phosphorylation of the peptides. -- Abstract: Galectin-3 (Gal-3) is a multi-functional effector protein that functions in the cytoplasm and the nucleus, as well as extracellularly following non-classical secretion. Structurally, Gal-3 is unique among galectins with its carbohydrate recognition domain (CRD) attached to a rather long N-terminal tail composed mostly of collagen-like repeats (nine in the human protein) and terminating in a short non-collagenous terminal peptide sequence unique in this lectin family and not yet fully explored. Although several Ser and Tyr sites within the N-terminal tail can be phosphorylated, the physiological significance of this post-translational modification remains unclear. Here, we used a series of synthetic (phospho)peptides derived from the tail to assess phosphorylation-mediated interactions with {sup 15}N-labeled Gal-3 CRD. HSQC-derived chemical shift perturbations revealed selective interactions at the backface of the CRD that were attenuated by phosphorylation of Tyr 107 and Tyr 118, while phosphorylation of Ser 6 and Ser 12 was essential. Controls with sequence scrambling underscored inherent specificity. Our studies shed light on how phosphorylation of the N-terminal tail may impact on Gal-3 function and prompt further studies using phosphorylated full-length protein.

  1. Interaction of the Protein Transduction Domain of HIV-1 TAT with Heparan Sulfate: Binding Mechanism and Thermodynamic Parameters

    PubMed Central

    Ziegler, André; Seelig, Joachim

    2004-01-01

    The positively charged protein transduction domain of the HIV-1 TAT protein (TAT-PTD; residues 47–57 of TAT) rapidly translocates across the plasma membrane of living cells. This property is exploited for the delivery of proteins, drugs, and genes into cells. The mechanism of this translocation is, however, not yet understood. Recent theories for translocation suggest binding of the protein transduction domain (PTD) to extracellular glycosaminoglycans as a possible mechanism. We have studied the binding equilibrium between TAT-PTD and three different glycosaminoglycans with high sensitivity isothermal titration calorimetry and provide the first quantitative thermodynamic description. The polysulfonated macromolecules were found to exhibit multiple identical binding sites for TAT-PTD with only small differences between the three species as far as the thermodynamic parameters are concerned. Heparan sulfate (HS, molecular weight, 14.2 ± 2 kDa) has 6.3 ± 1.0 independent binding sites for TAT-PTD which are characterized by a binding constant K0 = (6.0 ± 0.6) × 105 M?1 and a reaction enthalpy \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} \\begin{equation*}{\\Delta}H_{{\\mathrm{pep}}}^{0}=-4.6{\\pm}1.0\\end{equation*}\\end{document} kcal/mol at 28°C. The binding affinity, \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} \\begin{equation*}{\\Delta}G_{{\\mathrm{pep}}}^{0}\\end{equation*}\\end{document}, is determined to equal extent by enthalpic and entropic contributions. The HS-TAT-PTD complex formation entails a positive heat capacity change of \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} \\begin{equation*}{\\Delta}C_{{\\mathrm{p}}}^{0}=+135\\end{equation*}\\end{document} cal/mol peptide, which is characteristic of a charge neutralization reaction. This is in contrast to hydrophobic binding reactions which display a large negative heat capacity change. The stoichiometry of 6–7 TAT-PTD molecules per HS corresponds to an electric charge neutralization. Light scattering data demonstrate a maximum scattering intensity at this stoichiometric ratio, the intensity of which depends on the order of mixing of the two components. The data suggest cross-linking and/or aggregation of HS-TAT-PTD complexes. Two other glycosaminoglycans, namely heparin and chondroitin sulfate B, were also studied with isothermal titration calorimetry. The thermodynamic parameters are K0 = (6.0 ± 0.8) × 105 M?1 and \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} \\begin{equation*}{\\Delta}H_{{\\mathrm{pep}}}^{0}=-5.1{\\pm}0.7\\end{equation*}\\end{document} kcal/mol for heparin and K0 = (2.5 ± 0.5) × 105 M?1 and \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} \\begin{equation*}{\\Delta}H_{{\\mathrm{pep}}}^{0}=-3.2{\\pm}0.4\\end{equation*}\\end{document} kcal/mol for chondroitin sulfate B at 28°C. The close thermodynamic similarity of the three binding molecules also implies a close structural relationship. The ubiquitous occurrence of glycosaminoglycans on the cell surface together with their tight and rapid interaction with the TAT protein transduction domain makes complex formation a strong candidate as the primary step of protein translocation. PMID:14695267

  2. Improvements of Satellite Derived Cyclonic Rainfall Over The North Atlantic and Implications Upon The Air-sea Interaction

    NASA Astrophysics Data System (ADS)

    Klepp, C.; Bakan, S.; Grassl, H.

    Case studies of rainfall, derived from Special Sensor Microwave/Imager (SSM/I) satellite data, during the passage of individual cyclones over the North Atlantic are presented to enhance the knowledge of rainfall processes asso ciated with frontal sys- tems. The Multi-Satellite-Technique (MST) is described to receive a complete cov- erage of the North Atlantic twice a day. Different SSM/I precipitation algorithms (Bauer and Schlüssel, Ferraro, Wentz) have been tested for individual cyclones and were compared to the Global Precipitation Climatology Project (GPCP) data sets and NWP model results (ECMWF, REMO). An independent rainfall pattern and -intensity vali dation method is presented using voluntary observing ship (VOS) data sets and AVHRR images. Intense storms occur very often in the wintertime period with cold fronts propagating far south over the North Atlantic. Large frontal conditions are mostly well represented in all tested data sets. Following upstream numerous showers are usually embedded in the cellular structures of the cold air on the backside of post frontal subsidences. Cold air clusters frequently occur in these backside regions which produce heavy convective rainfall events. Espe cially in the region off Newfoundland at 50o North, where very cold air within arctic cold air outbreaks is advected over the warm waters of the Gulfstream current, these heavily raining clusters often rapidly form into mesoscale storms. These small but intense cyclones up to 1500km in diame- ter are characterized by very heavy precipitation over the entire region and may occur every three days in wintertime. The storms can be easily identified on AVHRR im- ages. Only the SSM/I rainfall algorithm of Bauer and Schlüssel in combination with the presented MST is sensitive enough to detect the correct patterns and intensities of rainfall for those cyclone types over the North Atlantic, whereas the GPCP products fail in recognizing any rainfall at all. A SLP study figures out why the con vective cluster rainfall is systematically absent in the NWP models. These mesoscale storm clusters contribute up to 25% to the total amount of rainfall in North Atlantic cyclones. Systematically neglecting these rainfall equiva lents of 1 Sv of freshwater flux into the North Atlantic account for large errors in the water cycle. Further analysis of VOS and HOAPS (Hamburg Ocean and Atmosphere Parameters and Fluxes from Satellite 1 Data) data points out the climatological importance of the cyclones for the water- and energy cycle over the North Atlantic. 2

  3. Membrane Surface-Associated Helices Promote Lipid Interactions and Cellular Uptake of Human Calcitonin-Derived Cell Penetrating Peptides

    PubMed Central

    Herbig, Michael E.; Weller, Kathrin; Krauss, Ulrike; Beck-Sickinger, Annette G.; Merkle, Hans P.; Zerbe, Oliver

    2005-01-01

    hCT(9-32) is a human calcitonin (hCT)-derived cell-penetrating peptide that has been shown to translocate the plasma membrane of mammalian cells. It has been suggested as a cellular carrier for drugs, green fluorescent protein, and plasmid DNA. Because of its temperature-dependent cellular translocation resulting in punctuated cytoplasmatic distribution, its uptake is likely to follow an endocytic pathway. To gain insight into the molecular orientation of hCT(9-32) when interacting with lipid models, and to learn more about its mode of action, various biophysical techniques from liposome partitioning to high-resolution NMR spectroscopy were utilized. Moreover, to establish the role of individual residues for the topology of its association with the lipid membrane, two mutants of hCT(9-32), i.e., W30-hCT(9-32) and A23-hCT(9-32), were also investigated. Although unstructured in aqueous solution, hCT(9-32) adopted two short helical stretches when bound to dodecylphosphocholine micelles, extending from Thr10 to Asn17 and from Gln24 to Val29. A23-hCT(9-32), in which the helix-breaking Pro23 was replaced by Ala, displayed a continuous ?-helix extending from residue 12 to 26. Probing with the spin label 5-doxylstearate revealed that association with dodecylphosphocholine micelles was such that the helix engaged in parallel orientation to the micelle surface. Moreover, the Gly to Trp exchange in W30-hCT(9-32) resulted in a more stable anchoring of the C-terminal segment close to the interface, as reflected by a twofold increase in the partition coefficient in liposomes. Interestingly, tighter binding to model membranes was associated with an increase in the in vitro uptake in human cervix epithelial andenocarcinoma cell line cells. Liposome leakage studies excluded pore formation, and the punctuated fluorescence pattern of internalized peptide indicated vesicular localization and, in conclusion, strongly suggested an endocytic pathway of translocation. PMID:16183886

  4. Interaction of inflammatory and anti-inflammatory responses in microglia by Staphylococcus aureus-derived lipoteichoic acid

    SciTech Connect

    Huang, Bor-Ren [Department of Neurosurgery, Buddhist Tzu Chi General Hospital, Taichung Branch, Taichung, Taiwan (China); Institute of Clinical Medical Science, China Medical University, Taichung, Taiwan (China); Tsai, Cheng-Fang [Department of Biotechnology, Asia University, Taichung, Taiwan (China); Lin, Hsiao-Yun [Department of Life Sciences, National Chung Hsing University, Taichung, Taiwan (China); Tseng, Wen-Pei [Graduate Institute of Sports and Health, National Changhua University of Education, Changhua County, Taiwan (China); Huang, Shiang-Suo [Department of Pharmacology and Institute of Medicine, College of Medicine, Chung Shan Medical University, Taiwan (China); Wu, Chi-Rei [Graduate Institute of Chinese Pharmaceutical Sciences, College of Pharmacy, China Medical University, Taiwan (China); Lin, Chingju [Department of Physiology, School of Medicine, China Medical University, Taichung, Taiwan (China); Yeh, Wei-Lan [Cancer Research Center, Department of Medical Research, Changhua Christian Hospital, Changhua, Taiwan (China); Lu, Dah-Yuu, E-mail: dahyuu@mail.cmu.edu.tw [Graduate Institute of Neural and Cognitive Sciences, China Medical University, Taichung, Taiwan (China)

    2013-05-15

    We investigated the interaction between proinflammatory and inflammatory responses caused by Staphylococcus aureus-derived lipoteichoic acid (LTA) in primary cultured microglial cells and BV-2 microglia. LTA induced inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) protein levels increase in a concentration- and time-dependent manner. Meanwhile, LTA also increased nitric oxide (NO) and PGE{sub 2} production in microglia. Administration of TLR2 antagonist effectively inhibited LTA-induced NO, iNOS, and COX-2 expression. Moreover, treatment of cells with LTA caused a time-dependent activation of ERK, p38, JNK, as well as AKT. We also found that LTA-induced iNOS and COX-2 up-regulation were attenuated by p38, JNK, and PI3-kinase inhibitors. On the other hand, LTA-enhanced HO-1 expression was attenuated by p38 and PI3-kinase inhibitors. Treatment of cells with NF-?B and AP-1 inhibitors antagonized LTA-induced iNOS and COX-2 expression. However, only NF-?B inhibitors reduced LTA-induced HO-1 expression in microglia. Furthermore, stimulation of cells with LTA also activated I?B? phosphorylation, p65 phosphorylation at Ser{sup 536}, and c-Jun phosphorylation. Moreover, LTA-induced increases of ?B-DNA and AP-1-DNA binding activity were inhibited by p38, JNK, and PI3-kinase inhibitors. HO-1 activator CoPP IX dramatically reversed LTA-induced iNOS expression. Our results provided mechanisms linking LTA and inflammation/anti-inflammation, and indicated that LTA plays a regulatory role in microglia activation. - Highlights: • LTA causes an increase in iNOS, COX-2, and HO-1 expression in microglia. • LTA induces iNOS and COX-2 expression through TLR-2/NF-?B and AP-1 pathways. • HO-1 expression is regulated through p38, JNK, PI3K/AKT and AP-1 pathways. • Induced HO-1 reduces LTA-induced iNOS expression. • LTA plays a regulatory role on inflammatory/anti-inflammatory responses.

  5. Peptidelipid interactions of the -hairpin antimicrobial peptide tachyplesin and its linear derivatives from solid-state NMR

    E-print Network

    Hong, Mei

    are investigated to gain insight into the mechanism of antimicrobial activity. 31 P and 2 H NMR spectra­lipid interaction. 31 P and 2 H NMR are ideal probes for the peptide­lipid interactions. The 31 P chemical shift, and electrostatic perturbation to the membrane surface [1]. 2 H quadrupolar couplings complement 31 P NMR

  6. The effect of a functional group in penicillin derivatives on the interaction with bile salt micelles studied by micellar electrokinetic chromatography.

    PubMed

    Mrestani, Y; Marestani, Z; Neubert, R H

    2001-10-01

    A capillary electrophoresis method is developed and validated for the characterization of the affinity and the interaction between aminopenicillanic acid (APS-H) and its derivatives with bile salt micelles. The micellar systems studied contained sodium taurocholate (NaTC) and sodium deoxycholate (NaDC). Using the retention factor k', functional group selectivity, gammaG, is defined as the ratio of the retention factor of a substituted aminopenicillanic acid (APS-R) over the capacity factor of APS-H and the difference in free energy (deltadeltaG degrees) can be used for the characterization of the affinity and interaction between drugs and micelles. The functional group selectivity is a direct measure of the interaction of the functional group with micelles. The calculated deltadeltaG degrees value gives information on the partition equilibrium and interaction between drugs and micelles. A positive deltadeltaG degrees value means that the interaction of a functional group gammaG to the APS-H leads to a decrease in the interaction with the micelles. A negative deltadeltaG degrees value, on the other hand, has the opposite meaning. The results obtained in this study exhibited that these APS-R compounds have smaller affinity to the micelles compared to unsubstituted APS-H. Furthermore, the log k' of the drugs in these systems were correlated with the log Pow in the n-octanol/water system and with log P(G) (permeation coefficient). PMID:11669544

  7. The Effects of Satellite-Derived Vegetation Cover Variability on Simulated LandAtmosphere Interactions in the NAMS

    E-print Network

    Small, Eric

    between evapo- rative fraction (EF), surface temperature, and relative humidity in the boundary layer (BL to calibrate transpiration schemes and to assess simulated and realistic vegetation­atmosphere interactions

  8. Ocean wave spectrum properties as derived from quasi-exact computations of nonlinear wave-wave interactions

    Microsoft Academic Search

    E. Gagnaire-Renou; M. Benoit; P. Forget

    2010-01-01

    The estimation of nonlinear wave-wave interactions is one of the central problems in the development of operational and research models for ocean wave prediction. In this paper, we present results obtained with a numerical model based on a quasi-exact computation of the nonlinear wave-wave interactions called the Gaussian quadrature method (GQM) that gives both precise and computationally efficient calculations of

  9. Brain-Derived Neurotrophic Factor/FK506-Binding Protein 5 Genotype by Childhood Trauma Interactions Do Not Impact on Hippocampal Volume and Cognitive Performance

    PubMed Central

    Hernaus, Dennis; van Winkel, Ruud; Gronenschild, Ed; Habets, Petra; Kenis, Gunter; Marcelis, Machteld; van Os, Jim; Myin-Germeys, Inez; Collip, Dina

    2014-01-01

    In the development of psychotic symptoms, environmental and genetic factors may both play a role. The reported association between childhood trauma and psychotic symptoms could therefore be moderated by single nucleotide polymorphisms (SNPs) associated with the stress response, such as FK506-binding protein 5 (FKBP5) and brain-derived neurotrophic factor (BDNF). Recent studies investigating childhood trauma by SNP interactions have inconsistently found the hippocampus to be a potential target underlying these interactions. Therefore, more detailed modelling of these effects, using appropriate covariates, is required. We examined whether BDNF/FKBP5 and childhood trauma interactions affected two proxies of hippocampal integrity: (i) hippocampal volume and (ii) cognitive performance on a block design (BD) and delayed auditory verbal task (AVLT). We also investigated whether the putative interaction was different for patients with a psychotic disorder (n?=?89) compared to their non-psychotic siblings (n?=?95), in order to elicit possible group-specific protective/vulnerability effects. SNPs were rs9296158, rs4713916, rs992105, rs3800373 (FKBP5) and rs6265 (BDNF). In the combined sample, no BDNF/FKBP5 by childhood trauma interactions were apparent for either outcome, and BDNF/FKBP5 by childhood trauma interactions were not different for patients and siblings. The omission of drug use and alcohol consumption sometimes yielded false positives, greatly affected explained error and influenced p-values. The consistent absence of any significant BDNF/FKBP5 by childhood trauma interactions on assessments of hippocampal integrity suggests that the effect of these interactions on psychotic symptoms is not mediated by hippocampal integrity. The importance of appropriate statistical designs and inclusion of relevant covariates should be carefully considered. PMID:24658422

  10. Inverse modeling for seawater intrusion in coastal aquifers: Insights about parameter sensitivities, variances, correlations and estimation procedures derived from the Henry problem

    USGS Publications Warehouse

    Sanz, E.; Voss, C.I.

    2006-01-01

    Inverse modeling studies employing data collected from the classic Henry seawater intrusion problem give insight into several important aspects of inverse modeling of seawater intrusion problems and effective measurement strategies for estimation of parameters for seawater intrusion. Despite the simplicity of the Henry problem, it embodies the behavior of a typical seawater intrusion situation in a single aquifer. Data collected from the numerical problem solution are employed without added noise in order to focus on the aspects of inverse modeling strategies dictated by the physics of variable-density flow and solute transport during seawater intrusion. Covariances of model parameters that can be estimated are strongly dependent on the physics. The insights gained from this type of analysis may be directly applied to field problems in the presence of data errors, using standard inverse modeling approaches to deal with uncertainty in data. Covariance analysis of the Henry problem indicates that in order to generally reduce variance of parameter estimates, the ideal places to measure pressure are as far away from the coast as possible, at any depth, and the ideal places to measure concentration are near the bottom of the aquifer between the center of the transition zone and its inland fringe. These observations are located in and near high-sensitivity regions of system parameters, which may be identified in a sensitivity analysis with respect to several parameters. However, both the form of error distribution in the observations and the observation weights impact the spatial sensitivity distributions, and different choices for error distributions or weights can result in significantly different regions of high sensitivity. Thus, in order to design effective sampling networks, the error form and weights must be carefully considered. For the Henry problem, permeability and freshwater inflow can be estimated with low estimation variance from only pressure or only concentration observations. Permeability, freshwater inflow, solute molecular diffusivity, and porosity can be estimated with roughly equivalent confidence using observations of only the logarithm of concentration. Furthermore, covariance analysis allows a logical reduction of the number of estimated parameters for ill-posed inverse seawater intrusion problems. Ill-posed problems may exhibit poor estimation convergence, have a non-unique solution, have multiple minima, or require excessive computational effort, and the condition often occurs when estimating too many or co-dependent parameters. For the Henry problem, such analysis allows selection of the two parameters that control system physics from among all possible system parameters. ?? 2005 Elsevier Ltd. All rights reserved.

  11. Interactions of Escherichia coli UmuD with activated RecA analyzed by cross-linking UmuD monocysteine derivatives.

    PubMed Central

    Lee, M H; Walker, G C

    1996-01-01

    SOS mutagenesis in Escherichia coli requires the participation of a specialized system involving the activated form of UmuD (UmuD'), UmuC, RecA, and DNA polymerase III proteins. We have used a set of monocysteine derivatives of UmuD (M. H. Lee, T. Ohta, and G. C. Walker, J. Bacteriol. 176:4825-4837, 1994) and the cysteine-specific photoactive cross-linker p-azidoiodoacetanilide (AIA) to study not only the interactions of intact UmuD in the homodimer but also the interactions of UmuD with activated RecA. The reactivities of the individual UmuD monocysteine derivatives with AIA were similar to their reactivities with iodoacetate. The relative efficiencies of cross-linking of the AIA-modified monocysteine UmuD derivatives in the homodimer form are also consistent with our previous conclusions concerning the relative closeness of various UmuD residues to the dimer interface. With respect to the UmuD-RecA interface, the AIA-modified VC34 and SC81 monocysteine derivatives cross-linked most efficiently with RecA, indicating that positions 34 and 81 of UmuD are closer to the RecA interface than the other positions we tested. The AIA-modified SC57, SC67, and SC112 monocysteine derivatives cross-linked moderately efficiently with RecA. Neither C24, the wild-type UmuD that has a cysteine located at the Cys-24-Gly-25 cleavage site, nor SC60, the UmuD monocysteine derivative with a cysteine substitution at the position of the putative active-site residue, was able to cross-link with RecA, suggesting that RecA need not directly interact with residues involved in the cleavage reaction. SC19, located in the N-terminal fragment of UmuD that is cleaved, and LC44 also did not cross-link efficiently with RecA. PMID:8955414

  12. Diurnal Variability of Regional Cloud and Clear-Sky Radiative Parameters Derived from GOES Data. Part II: November 1978 Cloud Distributions

    Microsoft Academic Search

    Patrick Minnis; Edwin F. Harrison

    1984-01-01

    Regional (250 × 250 km2) diurnal cloud variability is examined using mean hourly cloud amounts derived from November 1978 GOES-East visible and infrared data with a hybrid bispectral threshold technique. A wide variety of diurnal variations in cloud cover is presented. A morning maximum in low cloudiness is found over much of the eastern Pacific. Many regions in the western

  13. 3d interaction homology: The structurally known rotamers of tyrosine derive from a surprisingly limited set of information-rich hydropathic interaction environments described by maps.

    PubMed

    Ahmed, Mostafa H; Koparde, Vishal N; Safo, Martin K; Neel Scarsdale, J; Kellogg, Glen E

    2015-06-01

    Sidechain rotamer libraries are obtained through exhaustive statistical analysis of existing crystallographic structures of proteins and have been applied in multiple aspects of structural biology, for example, crystallography of relatively low-resolution structures, in homology model building and in biomolecular NMR. Little is known, however, about the driving forces that lead to the preference or suitability of one rotamer over another. Construction of 3D hydropathic interaction maps for nearly 30,000 tyrosines reveals the environment around each, in terms of hydrophobic (?-? stacking, etc.) and polar (hydrogen bonding, etc.) interactions. After partitioning the tyrosines into backbone-dependent (?, ?) bins, a map similarity metric based on the correlation coefficient was applied to each map-map pair to build matrices suitable for clustering with k-means. The first bin (-200°?????interactions with many different residue partner types. Polar interactions for tyrosine include surprisingly ubiquitous hydrogen bonding with the phenolic OH and a handful of unique environments surrounding the tyrosine backbone. The memberships of all but one of the 14 environments are dominated (>50%) by a single ?1 /?2 rotamer. The last environment has weak or no interactions with the tyrosine ring and its ?1 /?2 rotamer is indeterminate, which is consistent with it being composed of mostly surface residues. Each tyrosine residue attempts to fulfill its hydropathic valence and thus, structural water molecules are seen in a variety of roles throughout protein structure. Proteins 2015; 83:1118-1136. © 2015 Wiley Periodicals, Inc. PMID:25900573

  14. Derivatives of ? 2-pyrazoline-products of 1,5-diaminotetrazole interaction with chalcone: Molecular structure and spectral properties

    NASA Astrophysics Data System (ADS)

    Kolos, N. N.; Paponov, B. V.; Orlov, V. D.; Lvovskaya, M. I.; Doroshenko, A. O.; Shishkin, O. V.

    2006-03-01

    1,5-diaminotetrazole at conditions of its interaction with chalcones (1,3-diphenylpropenones) in hot DMF undergoes Dimroth rearrangement to 5-tetrazolylhydrazine, which results in formation of 1-(5-tetrazolyl)-3,5-diaryl-? 2-pyrazolines ( I). Structure of the obtained products was confirmed by their parallel synthesis and X-ray structural analysis. Unusual fluorescence behavior of the tetrazolopyrazolynes in polar solvents was attributed to the dissociation of their highly acidic tetrazole N-H group. The last hypothesis was confirmed at the investigation of the protolytic interactions of I with tertiary amine.

  15. D77, one benzoic acid derivative, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75

    SciTech Connect

    Du Li [Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203 (China); Zhao Yaxue [School of Pharmacy, East China University of Science and Technology, Shanghai 200237 (China); Chen, Jing [Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203 (China); Yang Liumeng; Zheng Yongtang [Laboratory of Molecular Immunopharmacology, Key Laboratory of Animal Models and Human Disease Mechanisms, Kunming Institute of Zoology, Chinese Academy of Sciences, Kunming, Yunnan 650223 (China); Tang Yun [School of Pharmacy, East China University of Science and Technology, Shanghai 200237 (China)], E-mail: ytang234@ecust.edu.cn; Shen Xu [Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203 (China); School of Pharmacy, East China University of Science and Technology, Shanghai 200237 (China)], E-mail: xshen@mail.shcnc.ac.cn; Jiang Hualiang [Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203 (China); School of Pharmacy, East China University of Science and Technology, Shanghai 200237 (China)

    2008-10-10

    Integration of viral-DNA into host chromosome mediated by the viral protein HIV-1 integrase (IN) is an essential step in the HIV-1 life cycle. In this process, Lens epithelium-derived growth factor (LEDGF/p75) is discovered to function as a cellular co-factor for integration. Since LEDGF/p75 plays an important role in HIV integration, disruption of the LEDGF/p75 interaction with IN has provided a special interest for anti-HIV agent discovery. In this work, we reported that a benzoic acid derivative, 4-[(5-bromo-4-{l_brace}[2,4-dioxo-3-(2-oxo-2-phenylethyl) -1,3-thiazolidin-5-ylidene]methyl{r_brace}-2-ethoxyphenoxy)methyl]benzoic acid (D77) could potently inhibit the IN-LEDGF/p75 interaction and affect the HIV-1 IN nuclear distribution thus exhibiting antiretroviral activity. Molecular docking with site-directed mutagenesis analysis and surface plasmon resonance (SPR) binding assays has clarified possible binding mode of D77 against HIV-1 integrase. As the firstly discovered small molecular compound targeting HIV-1 integrase interaction with LEDGF/p75, D77 might supply useful structural information for further anti-HIV agent discovery.

  16. {alpha}-decay and fusion phenomena in heavy ion collisions using nucleon-nucleon interactions derived from relativistic mean-field theory

    SciTech Connect

    Singh, BirBikram; Sahu, B. B.; Patra, S. K. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India)

    2011-06-15

    Nucleus-nucleus potentials are determined in the framework of the double-folding model for a new microscopic nucleon-nucleon (NN) interaction relativistic mean field-3-Yukawa (R3Y) derived from the popular relativistic mean-field theory Lagrangian, and the results are compared for the use of Michigan-3-Yukawa (M3Y) effective NN interactions. The double-folding potentials so obtained are further taken up in the context of the preformed cluster model (PCM) of Gupta and collaborators and the barrier penetration model to study respectively the ground-state (g.s.) {alpha}-decay and low-energy fusion reactions. In this paper, using PCM, we deduce empirically the {alpha} preformation probability P{sub 0}{sup {alpha}(emp)} from experimental data on a few g.s. {alpha} decays in the trans-lead region. For fusion reactions, two projectile-target systems {sup 12}C+{sup 208}Pb and {sup 16}O+{sup 208}Pb are selected for calculating the barrier energies as well positions, fusion cross sections ({sigma}{sub fus}), and fusion barrier distribution [D(E{sub c.m.})]. The barrier energies and positions change for the R3Y NN interactions in comparison with those of the M3Y NN interactions. We find that in the {alpha}-decay studies the values of P{sub 0}{sup {alpha}(emp)}(R3Y) are similar to those of P{sub 0}{sup {alpha}(emp)}(M3Y). Further, both NN interactions give similar {sigma}{sub fus} values using the Wong formula specifically when the R3Y NN interaction calculated {sigma}{sub fus} values are reduced by 1.5 times, and the results are in agreement with the experimental data for both the systems, especially for the higher energies. Results for D(E{sub c.m.}) are also quite similar for both choices of NN interaction.

  17. The Photodimerization of a Cinnamoyl Moiety Derivative in Dilute Solution Based on the Intramolecular Chain Interaction of Gemini Surfactant

    E-print Network

    Huang, Jianbin

    on the Intramolecular Chain Interaction of Gemini Surfactant Haiming Fan, Xiaoming Zhu, Lining Gao, Zichen Li 8, 2008 A Gemini surfactant, sodium N,N-di(4-n-butyloxy cinnamoly)-L-cystine, containing a cinnamoyl. The incorporation of a cinnamoyl moiety into the alkyl chains of Gemini surfactant makes it easy to probe

  18. Interaction of amiloride and one of its derivatives with Vpu from HIV-1: a molecular dynamics simulation

    E-print Network

    Fischer, Wolfgang

    Societies. Key words: Viral ion channel; Vpu; HIV-1; Molecular dynamics simulation; Drug^protein interaction-loop helix-helix/turn motif. Such models can be used in molecular dynamics simulations to investigate procedure with short molecular dynamics (MD) simulations. The initial inter-helical distance was set to 0

  19. Phototrophic Biofilm Assembly in Microbial-Mat-Derived Unicyanobacterial Consortia: Model Systems for the Study of Autotroph-Heterotroph Interactions

    SciTech Connect

    Cole, Jessica K.; Hutchison, Janine R.; Renslow, Ryan S.; Kim, Young-Mo; Chrisler, William B.; Engelmann, Heather E.; Dohnalkova, Alice; Hu, Dehong; Metz, Thomas O.; Fredrickson, Jim K.; Lindemann, Stephen R.

    2014-04-07

    Though microbial autotroph-heterotroph interactions influence biogeochemical cycles on a global scale, the diversity and complexity of natural systems and their intractability to in situ environmental manipulation makes elucidation of the principles governing these interactions challenging. Examination of primary succession during phototrophic biofilm assembly provides a robust means by which to elucidate the dynamics of such interactions and determine their influence upon recruitment and maintenance of phylogenetic and functional diversity in microbial communities. We isolated and characterized two unicyanobacterial consortia from the Hot Lake phototrophic mat, quantifying the structural and community composition of their assembling biofilms. The same heterotrophs were retained in both consortia and included members of Alphaproteobacteria, Gammaproteobacteria, and Bacteroidetes, taxa frequently reported as consorts of microbial photoautotrophs. Cyanobacteria led biofilm assembly, eventually giving way to a late heterotrophic bloom. The consortial biofilms exhibited similar patterns of assembly, with the relative abundances of members of Bacteroidetes and Alphaproteobacteria increasing and members of Gammaproteobacteria decreasing as colonization progressed. Despite similar trends in assembly at higher taxa, the consortia exhibited substantial differences in community structure at the species level. These similar patterns of assembly with divergent community structures suggest that, while similar niches are created by the metabolism of the cyanobacteria, the resultant webs of autotroph-heterotroph and heterotroph-heterotroph interactions driving metabolic exchange are specific to each primary producer. Altogether, our data support these Hot Lake unicyanobacterial consortia as generalizable model systems whose simplicity and tractability permit the deciphering of community assembly principles relevant to natural microbial communities.

  20. Effects of Multiple-Bond Ruptures on Kinetic Parameters Extracted from Force Spectroscopy Measurements: Revisiting Biotin-Streptavidin Interactions

    PubMed Central

    Guo, Senli; Ray, Chad; Kirkpatrick, Andrea; Lad, Nimit; Akhremitchev, Boris B.

    2008-01-01

    Force spectroscopy measurements of the rupture of the molecular bond between biotin and streptavidin often results in a wide distribution of rupture forces. We attribute the long tail of high rupture forces to the nearly simultaneous rupture of more than one molecular bond. To decrease the number of possible bonds, we employed hydrophilic polymeric tethers to attach biotin molecules to the atomic force microscope probe. It is shown that the measured distributions of rupture forces still contain high forces that cannot be described by the forced dissociation from a deep potential well. We employed a recently developed analytical model of simultaneous rupture of two bonds connected by polymer tethers with uneven length to fit the measured distributions. The resulting kinetic parameters agree with the energy landscape predicted by molecular dynamics simulations. It is demonstrated that when more than one molecular bond might rupture during the pulling measurements there is a noise-limited range of probe velocities where the kinetic parameters measured by force spectroscopy correspond to the true energy landscape. Outside this range of velocities, the kinetic parameters extracted by using the standard most probable force approach might be interpreted as artificial energy barriers that are not present in the actual energy landscape. Factors that affect the range of useful velocities are discussed. PMID:18621812

  1. Modulation and Interaction of Immune-Associated Parameters with Antioxidant in the Immunocytes of Crab Scylla paramamosain Challenged with Lipopolysaccharides.

    PubMed

    Gopalakrishnan, Singaram; Chen, Fang-Yi; Thilagam, Harikrishnan; Qiao, Kun; Xu, Wan-Fang; Wang, Ke-Jian

    2011-01-01

    Invertebrates are dependent on cellular and humoral immune defences against microbial infection. Scylla paramamosain is an important commercial species, but the fundamental knowledge on its immune defense related to the antioxidant and immune-associated reactions is still lacking. The study was to differentiate the responses of immune-associated parameters of haemolymph components in S. paramamosain when challenged with bacterial lipopolysaccharides (LPSs). The immunostimulating effects of LPS in crab by triggering various immune parameters (phagocytosis, lysozyme, antibacterial activity, phenoloxidase, and the generation of superoxide and nitric oxide) were investigated. Results showed that the generation of free radicals, phenoloxidase, lysozyme and antibacterial activities was significantly increased through the exposure periods. Conversely, total hemocyte count and lysosomal membrane stability decreased significantly as the exposure period extended to 96?h. The relationship between the antioxidant enzymes and immune reactions due to LPS was highly significant. In addition, ROS production was positively correlated with antioxidant showing immediate response of antioxidant defense to the oxyradicals generated. Overall, the study indicated that nonspecific immune components in hemocytes of crab showed active response to the LPS stimulation, and their responses suggested that many immune-associated parameters could be modulated and interrelated with the influence of antioxidants in crustaceans. PMID:21716691

  2. Methyl scanning: total synthesis of demethylasterriquinone B1 and derivatives for identification of sites of interaction with and isolation of its receptor(s).

    PubMed

    Pirrung, Michael C; Liu, Yufa; Deng, Liu; Halstead, Diana K; Li, Zhitao; May, John F; Wedel, Michael; Austin, Darrell A; Webster, Nicholas J G

    2005-04-01

    The principle of methyl scanning is proposed for determination of the sites of interaction between biologically active small molecules and their macromolecular target(s). It involves the systematic preparation of a family of methylated derivatives of a compound and their biological testing. As a functional assay, the method can identify the regions of a molecule that are important (and unimportant) for biological activity against even unknown targets, and thus provides an excellent complement to structural biology. Methyl scanning was applied to demethylasterriquinone B1, a small-molecule mimetic of insulin. A new, optimal total synthesis of this natural product was developed that enables the family of methyl scan derivatives to be concisely prepared for evaluation in a cellular assay. The results of this experiment were used to design a biotin-demethylasterriquinone conjugate for use as an affinity reagent. This compound was prepared in tens of milligram quantities in a four-step synthesis. PMID:15796526

  3. Polyethylene glycol derivatives of base and sequence specific DNA ligands: DNA interaction and application for base specific separation of DNA fragments by gel electrophoresis.

    PubMed Central

    Müller, W; Hattesohl, I; Schuetz, H J; Meyer, G

    1981-01-01

    Various base pair specific DNA ligands comprising a phenyl phenazinium dye, a triphenylmethan dye and Hoechst 33258 were covalently bound to polyethylene glycol (PEG) via ester or ether bonds. The DNA interactions of the PEG derivatives formed were shown to exhibit the same base pair specificity as the parent compounds. Since the PEG chains thus bound to the DNA could be expected to increase drastically the frictional coefficient of the DNA, the PEG derivatives were used for base specific DNA separations in agarose and polyacrylamide gel electrophoresis. The procedures, which do not require any special techniques, are described in detail. The resolution observed in agarose gels allows one to separate equally sized DNA fragments differing as little as 1% in base composition at mean travel distances of about 10 cm. Examples of gels showing the base compositional heterogeneity of restriction fragments obtained from lambda DNA, E. coli DNA and calf thymus DNA are given. Images PMID:6259622

  4. Synthesis of oxadiazole-morpholine derivatives and manifestation of the repressed CD31 Microvessel Density (MVD) as tumoral angiogenic parameters in Dalton's Lymphoma.

    PubMed

    Al-Ghorbani, Mohammed; Vigneshwaran, V; Ranganatha, V Lakshmi; Prabhakar, B T; Khanum, Shaukath Ara

    2015-06-01

    A series of oxadiazole derivatives possessing morpholine 6a-l were synthesized by nucleophilic substitution reaction of key intermediates [1,3,4]-oxadiazole-2-thiol derivatives 5a-l with 4-(2-chloroethyl) morpholine. Compounds 6a-l were evaluated for their in vitro and in vivo antitumor potential in Dalton's Lymphoma Ascites (DLA) tumor cells. Among 6a-l series, compound 6a with concentration ?8.5?M have shown extensive cytotoxicity in vitro and 85% reduction in tumor volume in vivo, attributing an excellent anti-proliferative capability towards the cancer cells. Compound 6a has extensively inhibited the Microvessel Density (MVD) or tumoral neovasculature which was evident from the CD31 immuno staining and peritoneal H&E staining. The major reason for the antiproliferative activity of compound 6a was due to the repression of tumor vasculature. PMID:26005956

  5. Investigating the interaction of McN-A-343 with the M1 muscarinic receptor using its nitrogen mustard derivative and ACh mustard

    PubMed Central

    Figueroa, KW; Suga, H; Ehlert, FJ

    2010-01-01

    Background and purpose: We investigated how McN-A-343 inhibited the alkylation of the M1 muscarinic receptor by its nitrogen mustard derivative and that of ACh to identify whether it interacts allosterically or orthosterically. Experimental approach: We incubated the M1 muscarinic receptor expressed in Chinese hamster ovary cells with ACh mustard for various periods of time in the presence of McN-A-343 or known allosteric and orthosteric ligands. After stopping the reaction and removing unreacted ligands, unalkylated receptors were measured using [3H]N-methylscopolamine. Analogous experiments were done using a nitrogen mustard analog of McN-A-343. Affinity constants, cooperativity values for allosteric interactions and rate constants for receptor alkylation were estimated using a mathematical model. Key results: The kinetics of receptor alkylation by the nitrogen mustard derivatives of ACh and McN-A-343 were consistent with a two-step model in which the aziridinium ion rapidly forms a reversible receptor complex, which converts to a covalent complex at a slower rate. The inhibition of receptor alkylation by acetycholine, N-methylscopolamine and McN-A-343 was consistent with competitive inhibition, whereas that caused by gallamine was consistent with allosterism. Affinity constants estimated from alkylation kinetics agreed with those measured by displacement of [3H]N-methylscopolamine binding. Conclusions and implications: Our results suggest that McN-A-343 and its nitrogen mustard derivative interact competitively with ACh and N-methylscopolamine at the orthosteric site on the M1 muscarinic receptor. Measuring how drugs modulate the kinetics of receptor alkylation by an irreversible ligand is a powerful approach for distinguishing between negative allosteric modulators and competitive inhibitors. PMID:20590642

  6. Theoretical study on the hydrogen bond interaction of 1:1 supermolecular complexes of protonated adrenaline with formate anion and its derivatives

    Microsoft Academic Search

    Zhangyu Yu; Tao Liu; Dongju Zhang; Chengbu Liu

    2010-01-01

    The hydrogen bond (H-bond) interaction of 1:1 supermolecular complexes of protonated adrenaline (PAd+) with formate anion and its derivatives (denoted as RCOO?, RH, CH3, CH2F, CH2Cl, and CH2Br) has been investigated by performing density functional theory calculations at the B3LYP\\/6-31G+(d) level. We obtained the most stable three conformations for each complex, which are denoted as PAd+–RCOO?(I), PAd+–RCOO?(II), PAd+–RCOO?(III), respectively, and

  7. High-resolution X-ray spectroscopic and quantum-chemical study of electron interactions in fullerene derivatives.

    NASA Astrophysics Data System (ADS)

    Okotrub, Alexander; Bulusheva, Lyubov; Tománek, David

    1998-03-01

    Fluorescent high-resolution spectra of the fullerenes C_60, C_70, and their compounds with various types of chemical bonding were measured using the X-ray spectrometer ``Stearat''. The CK_? spectra of C_60F_24, C_60H_36, K_xC_60, Pd_xC_60 were obtained with resolution ?0.3 eV. The interpretation of the experimental data was performed using the quantum-chemical PM3 computational method. Several isomers were considered in the calculations for C_60F_24 and C_60H_36. The isomers that showed the best agreement between theoretical spectra and experimental data were selected for further study of electron interactions. The correlation diagrams for the interactions between the MO's of C_60 and the AO's of hydrogen and fluorine have been obtained. The main effect of fullerene intercalation by potassium is a maximum at short wavelengths which is clearly observed in the X-ray spectra. X-ray emission spectra and quantum-chemical results indicate that the interaction between C_60 and adsorbed palladium atoms has a donor-acceptor nature.

  8. Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms.

    PubMed Central

    Priestle, J. P.; Rahuel, J.; Rink, H.; Tones, M.; Grütter, M. G.

    1993-01-01

    The three-dimensional structures of D-Phe-Pro-Arg-chloromethyl ketone-inhibited thrombin in complex with Tyr-63-sulfated hirudin (ternary complex) and of thrombin in complex with the bifunctional inhibitor D-Phe-Pro-Arg-Pro-(Gly)4-hirudin (CGP 50,856, binary complex) have been determined by X-ray crystallography in crystal forms different from those described by Skrzypczak-Jankun et al. (Skrzypczak-Jankun, E., Carperos, V.E., Ravichandran, K.G., & Tulinsky, A., 1991, J. Mol. Biol. 221, 1379-1393). In both complexes, the interactions of the C-terminal hirudin segments of the inhibitors binding to the fibrinogen-binding exosite of thrombin are clearly established, including residues 60-64, which are disordered in the earlier crystal form. The interactions of the sulfate group of Tyr-63 in the ternary complex structure explain why natural sulfated hirudin binds with a 10-fold lower K(i) than the desulfated recombinant material. In this new crystal form, the autolysis loop of thrombin (residues 146-150), which is disordered in the earlier crystal form, is ordered due to crystal contacts. Interactions between the C-terminal fragment of hirudin and thrombin are not influenced by crystal contacts in this new crystal form, in contrast to the earlier form. In the bifunctional inhibitor-thrombin complex, the peptide bond between Arg-Pro (P1-P1') seems to be cleaved. PMID:8251938

  9. Influences of the Isospin-Dependence of In-Medium Nucleon-Nucleon Cross-Section and Momentum Dependent Interaction on Isoscaling Parameter

    NASA Astrophysics Data System (ADS)

    Liu, J. Y.; Hao, Huan Feng; Xing, Yong Zhong; Zuo, Wei; Lee, Xi Guo

    Influences of the isospin-dependent in-medium nucleon-nucleon cross-section ? iso NN and momentum-dependent interaction (MDI) on the isoscaling parameter ? are investigated for two central collisions 40Ca + 40Ca and 60Ca + 60Ca. These collisions are with isospin dependent quantum molecular dynamics in the beam energy region from 40 to 60 MeV/nucleon. The isotope yield ratio R21(N, Z) for the above two central collisions depends exponentially on the neutron number N and proton number Z of isotopes, with an isoscaling. In particular, the isospin-dependent ? iso NN and MDI induce an obvious decrease of the isoscaling parameter ?. The mechanism of the decreases of ? by both ? iso NN and MDI are studied respectively.

  10. Interaction of iron-copper mixed metal oxide oxygen carriers with simulated synthesis gas derived from steam gasification of coal

    SciTech Connect

    Siriwardane, Ranjani V. [U.S. DOE; Ksepko, Ewelina; Tian, Hanging [URS

    2013-01-01

    The objective of this work was to prepare supported bimetallic Fe–Cu oxygen carriers and to evaluate their performance for the chemical-looping combustion (CLC) process with simulated synthesis gas derived from steam gasification of coal/air. Ten-cycle CLC tests were conducted with Fe–Cu oxygen carriers in an atmospheric thermogravimetric analyzer utilizing simulated synthesis gas derived from the steam gasification of Polish Janina coal and Illinois #6 coal as fuel. The effect of temperature on reaction rates, chemical stability, and oxygen transport capacity were determined. Fractional reduction, fractional oxidation, and global rates of reactions were calculated from the thermogravimetric analysis (TGA) data. The supports greatly affected reaction performance. Data showed that reaction rates and oxygen capacities were stable during the 10-cycle TGA tests for most Fe–Cu/support oxygen carriers. Bimetallic Fe–Cu/support oxygen carriers showed higher reduction rates than Fe-support oxygen carriers. The carriers containing higher Cu content showed better stabilities and better reduction rates. An increase in temperature from 800 °C to 900 °C did not have a significant effect on either the oxygen capacity or the reduction rates with synthesis gas derived from Janina coal. Oxidation reaction was significantly faster than reduction reaction for all supported Fe–Cu oxygen carriers. Carriers with higher Cu content had lower oxidation rates. Ten-cycle TGA data indicated that these oxygen carriers had stable performances at 800–900 °C and might be successfully used up to 900 °C for coal CLC reaction in the presence of steam.

  11. Negatome 2.0: a database of non-interacting proteins derived by literature mining, manual annotation and protein structure analysis

    PubMed Central

    Blohm, Philipp; Frishman, Goar; Smialowski, Pawel; Goebels, Florian; Wachinger, Benedikt; Ruepp, Andreas; Frishman, Dmitrij

    2014-01-01

    Knowledge about non-interacting proteins (NIPs) is important for training the algorithms to predict protein–protein interactions (PPIs) and for assessing the false positive rates of PPI detection efforts. We present the second version of Negatome, a database of proteins and protein domains that are unlikely to engage in physical interactions (available online at http://mips.helmholtz-muenchen.de/proj/ppi/negatome). Negatome is derived by manual curation of literature and by analyzing three-dimensional structures of protein complexes. The main methodological innovation in Negatome 2.0 is the utilization of an advanced text mining procedure to guide the manual annotation process. Potential non-interactions were identified by a modified version of Excerbt, a text mining tool based on semantic sentence analysis. Manual verification shows that nearly a half of the text mining results with the highest confidence values correspond to NIP pairs. Compared to the first version the contents of the database have grown by over 300%. PMID:24214996

  12. The derivation of radionuclide transfer parameters for and dose-rates to an adult ringed seal ( Phoca hispida) in an Arctic environment

    Microsoft Academic Search

    J. P. Gwynn; J. E. Brown; K. M. Kovacs; C. Lydersen

    2006-01-01

    Radionuclide transfer parameters and dose-rates for an adult ringed seal from Svalbard have been determined based on empirical and estimated tissue activity concentrations and detailed dietary and habitat information. Whole-body equivalent concentration factors determined for anthropogenic radionuclides ranged from 101 (90Sr) to 102 (137Cs, 238Pu and 239,240Pu), while natural radionuclides ranged from 102 (210Pb) to 104 (210Po). Employing a dietary

  13. Physicochemical parameters involved in the interaction of Saccharomyces cerevisiae cells with ion-exchange adsorbents in expanded bed chromatography.

    PubMed

    Vergnault, Hélène; Mercier-Bonin, Muriel; Willemot, René-Marc

    2004-01-01

    Expanded bed adsorption (EBA) is an interesting primary technology allowing the adsorption of target proteins from unclarified feedstock in order to combine separation, concentration, and purification steps. However, interactions between cells and adsorbent beads during the EBA process can strongly reduce the performance of the separation. So, to minimize these interactions, the mechanisms of cell adsorption on the support were investigated. Adsorption kinetics of the baker's yeast Saccharomyces cerevisiae on the anion exchanger Q Hyper Z were directly performed under real EBA operating conditions, in a lab-scale UpFront 10 column. The yeast was marketed either as rod-shaped pellets (type I yeast) or as spherical pellets (type II yeast). For both types, a complete series of experiments for determining the adsorption profile versus time was performed, varying the superficial velocity or the pH. In parallel, the surface physicochemical properties of the cells (surface charge and electron-donor and electron-acceptor components) and of the support were determined. First of all, whatever the yeast types, the relation between cell adsorption and bed expansion has been highlighted, demonstrating the important role of hydrodynamic. However, for the type II yeast cells, adsorption increased dramatically, compared to the type I, even though it was shown that both types exhibited the same surface charge. In fact, there were strong differences in the Lewis acidic and basic components of the two yeasts. These differences explain the variable affinity toward the support, which was characterized by a strong electron-donor and a weak electron-acceptor component. These observed behaviors agreed with the colloidal theory. This work demonstrates that all kinds of interaction between the cells and the support (electrostatic, Lifshitz-van der Waals, acid/base) have to be taken into account together with hydrodynamic characteristics inside the bed. PMID:15458340

  14. Comparison of vadose zone flow simulations based on hydraulic parameters derived from lab data, pedotransfer functions, Bayesian updating and inverse modeling

    NASA Astrophysics Data System (ADS)

    Fang, Z.; Schaap, M. G.; Neuman, S. P.

    2009-12-01

    We use geostatistical and artificial neural network methods to estimate hydraulic parameters based on field and lab measured soil texture data. We make comparison between estimations and lab measurements and test the accuracy and reliability of the forward modeling using these estimated hydraulic parameters by simulating a large-scale long-term infiltration experiment conducted at Maricopa Agriculture Center (MAC) Site of the University of Arizona. The results suggest poor agreement between simulated and observed moisture contents through 28 irrigation days, especially the late periods. To improve the model performance, we first use Bayesian updating to reduce the estimation bias and standard deviation, estimation uncertainty is also assessed. We then try to develop a site-specific pedotransfer function (PTF) with the incorporation of lab measurements data of retention parameters. In addition, inverse modeling will be used to calibrate the simulation model against observed moisture content data. The various methods will be compared according several metrics, such as accuracy of the predicted flow processes, data requirements and computational time.

  15. D-glucose derived novel gemini surfactants: synthesis and study of their surface properties, interaction with DNA, and cytotoxicity.

    PubMed

    Kumar, Vikash; Chatterjee, Amrita; Kumar, Nupur; Ganguly, Anasuya; Chakraborty, Indranil; Banerjee, Mainak

    2014-10-01

    Four new D-glucose derived m-s-m type gemini surfactants with variable spacer and tail length have been synthesized by a simple and efficient synthetic methodology utilizing the free C-3 hydroxy group of diisopropylidene glucose. The synthetic route to these gemini surfactants with a quaternary ammonium group as polar head group involves a sequence of simple reactions including alkylation, imine formation, quaternization of amine etc. The surface properties of the new geminis were evaluated by surface tension and conductivity measurements. These gemini surfactants showed low cytotoxicity by MTT assay on HeLa cell line. The DNA binding capabilities of these surfactants were determined by agarose gel electrophoresis, fluorescence titration, and DLS experiments. The preliminary studies by agarose gel electrophoresis indicated chain length dependent DNA binding abilities, further supported by ethidium bromide exclusion experiments. Two of the D-glucose derived gemini surfactants showed effective binding with pET-28a plasmid DNA (pDNA) at relatively low N/P ratio (i.e., cationic nitrogen/DNA phosphate molar ratio). PMID:25199581

  16. Aqueous fluoride ion sensing by a new perylenediimide derivative: Interaction between the hydrated fluoride and the aromatic molecule

    NASA Astrophysics Data System (ADS)

    Maiti, Dibakar Kumar; Roy, Subhasish; Datta, Ayan; Banerjee, Arindam

    2013-11-01

    Fluoride ions can be detected ultra sensitively and selectively by using a new sensor, ?-butyric acid containing perylenediimide (PDI) in water. EPR studies show the involvement of radical formation during sensing. Density functional theory also supports the electrostatic interaction between hydrated fluoride and the sensor molecule. Fluoride sensing is visible through naked eyes and fluorometrically. Moreover, this sensor can be regenerated by oxidizing the sensor-fluoride complex using NOBF4. This study convincingly demonstrates the complex formation of hydrated fluoride with PDI based sensor molecule in sensing of aqueous fluorides as it is evidenced by MALDI-TOF analysis and computational studies.

  17. The Thrombin-Derived Host Defense Peptide GKY25 Inhibits Endotoxin-Induced Responses through Interactions with Lipopolysaccharide and Macrophages/Monocytes.

    PubMed

    Hansen, Finja C; Kalle-Brune, Martina; van der Plas, Mariena J A; Strömdahl, Ann-Charlotte; Malmsten, Martin; Mörgelin, Matthias; Schmidtchen, Artur

    2015-06-01

    Host defense peptides have recently gained much interest as novel anti-infectives owing to their ability to kill bacteria and simultaneously modulate host cell responses. The cationic host defense peptide GKY25 (GKYGFYTHVFRLKKWIQKVIDQFGE), derived from the C terminus of human thrombin, inhibits proinflammatory responses in vitro and in vivo, but the mode of action is unclear. In this study, we show that GKY25, apart from binding bacterial LPS, also interacts directly with monocytes and macrophages in vitro, ex vivo, and in vivo. Moreover, GKY25 inhibits TLR4- and TLR2-induced NF-?B activation in response to several microbe-derived agonists. Furthermore, GKY25 reduces LPS-induced phosphorylation of MAPKs p38? and JNK1/2/3. FACS and electron microscopy analyses showed that GKY25 interferes with TLR4/myeloid differentiation protein-2 dimerization. The results demonstrate a previously undisclosed activity of the host defense peptide GKY25, based on combined LPS and cell interactions leading to inhibition of TLR4 dimerization and subsequent reduction of NF-?B activity and proinflammatory cytokine production in monocytes and macrophages. PMID:25911750

  18. Oil droplet interaction with suspended sediment in the seawater column: influence of physical parameters and chemical dispersants.

    PubMed

    Sørensen, Lisbet; Melbye, Alf G; Booth, Andy M

    2014-01-15

    The interaction of dispersed oil droplets with large diameter suspended particulate materials (SPM) has been little studied. In the current study, particle size, oil characteristics and chemical dispersant significantly influence the adsorption of oil droplets to SPM in seawater. Sediments with a smaller particulate size (clay) approaching that of the oil droplets (2-20 ?m) adsorbed more oil per gram than sediments with large particle size (sand). Heavier, more polar oils with a high asphaltene content adsorbed more efficiently to SPM than lighter, less polar oils. A decrease in the smaller, more water soluble oil components in the sediment adsorbed oil was observed for all oil types. Addition of chemical dispersant decreased the adsorption of oil droplets to suspended carbonate sand in an exponential-like manner. No change in the relative distribution of compounds adsorbed to the sediment was observed, indicating dispersants do not alter the dissolution of compounds from oil droplets. PMID:24257650

  19. Electric Dipole Transition Moments and Solvent-Dependent Interactions of Fluorescent Boron-Nitrogen Substituted Indole Derivatives.

    PubMed

    Saif, Mari; Widom, Julia R; Xu, Senmiao; Abbey, Eric R; Liu, Shih-Yuan; Marcus, Andrew H

    2015-06-25

    Fluorescent analogues of the indole side chain of tryptophan can be useful spectroscopic probes of protein-protein and protein-DNA interactions. Here we present linear dichroism and solvent-dependent spectroscopic studies of two fluorescent analogues of indole, in which the organic C?C unit is substituted with the isosteric inorganic B-N unit. We studied the so-called "external" BN indole, which has C2v symmetry, and the "fused" BN indole with Cs symmetry. We performed a combination of absorption and fluorescence spectroscopy, ultraviolet linear dichroism (UV-LD) in stretched poly(ethylene) (PE) films, and quantum chemical calculations on both BN indole compounds. Our measurements allowed us to characterize the degree of alignment for both molecules in stretched PE films. We thus determined the orientations and magnitudes of the two lowest energy electric dipole transition moments (EDTMs) for external BN indole, and the two lowest energy EDTMs for fused BN indole within the 30?000-45?000 cm(-1) spectral range. We compared our experimental results to those of quantum chemical calculations using standard density functional theory (DFT). Our theoretical predictions for the low-energy EDTMs are in good agreement with our experimental data. The absorption and fluorescence spectra of the external and the fused BN indoles are sensitive to solvent polarity. Our results indicate that the fused BN indole experiences much greater solvation interactions with polar solvents than does the external BN indole. PMID:26000556

  20. Structure-activity relationships for the interaction between cyclosporin A derivatives and the Fab fragment of a monoclonal antibody.

    PubMed

    Rauffer, N; Zeder-Lutz, G; Wenger, R; Van Regenmortel, M H; Altschuh, D

    1994-08-01

    The crystallographic structure of a complex between cyclosporin A and the Fab fragment of monoclonal antibody R45-45-11 has been solved to 2.65 A resolution (Altschuh et al., 1992a, Science 256, 92; Vix et al., 1993, Proteins 15, 339), yielding a precise three-dimensional picture of interacting surfaces. In order to evaluate the contribution of observed contacts to the energy of interaction, we have measured the effect on binding affinity of minor chemical modifications of CS. The equilibrium binding constant of the Fab fragment for a set of cyclosporin analogs was obtained by measuring in a biosensor instrument the dependence of complex formation on Fab concentration, at constant analog concentrations. Data were analysed using Scatchard plots. Differences in binding energy resulting from cyclosporin modifications discriminated between two types of contact areas. The first type displays adaptability to structural modifications of cyclosporin at the cost of a small decrease in binding energy, and contacting residues in the antibody form the periphery of the combining site. The second type does not accommodate structural changes and corresponds in cyclosporin to three residues whose modifications drastically decrease binding energy with the antibody. The corresponding contact residues in the antibody form the core of the antibody combining site. PMID:8065374

  1. Neural stem cells induce bone-marrow-derived mesenchymal stem cells to generate neural stem-like cells via juxtacrine and paracrine interactions

    SciTech Connect

    Alexanian, Arshak R. [Neuroscience Research Labs, Dept. of Neurosurgery, Medical College of Wisconsin, VAMC, 5000 W. National Ave. 151, Milwaukee, WI 53295 (United States)]. E-mail: aalexan@mcw.edu

    2005-11-01

    Several recent reports suggest that there is far more plasticity that previously believed in the developmental potential of bone-marrow-derived cells (BMCs) that can be induced by extracellular developmental signals of other lineages whose nature is still largely unknown. In this study, we demonstrate that bone-marrow-derived mesenchymal stem cells (MSCs) co-cultured with mouse proliferating or fixed (by paraformaldehyde or methanol) neural stem cells (NSCs) generate neural stem cell-like cells with a higher expression of Sox-2 and nestin when grown in NS-A medium supplemented with N2, NSC conditioned medium (NSCcm) and bFGF. These neurally induced MSCs eventually differentiate into {beta}-III-tubulin and GFAP expressing cells with neuronal and glial morphology when grown an additional week in Neurobasal/B27 without bFGF. We conclude that juxtacrine interaction between NSCs and MSCs combined with soluble factors released from NSCs are important for generation of neural-like cells from bone-marrow-derived adherent MSCs.

  2. Using the Quake-Catcher Network (QCN) to derive source parameters and the site attenuation term, kappa (?), using aftershocks of the 2010 Darfield, New Zealand earthquake

    NASA Astrophysics Data System (ADS)

    Neighbors, C.; Cochran, E. S.; Ryan, K. J.; Funning, G.; Kaiser, A. E.

    2013-12-01

    We utilize a dense network of Quake-Catcher Network (QCN) MEMs accelerometers to investigate source parameters and the shallow site attenuation parameter, kappa (?), for aftershocks of the 3 September 2010 Mw7.1 Darfield earthquake in Christchurch, NZ. Approximately 190 QCN accelerometers captured over 180 aftershocks ? Mw4.0 from 9 September 2010 to 31 July 2011. Sensors were deployed in local residences as part of the QCN Rapid Aftershock Mobilization Project (RAMP), collecting vast amounts of data at dense spatial scales. The low cost, 14-bit QCN sensors perform within ANSS Class C sensor standards (Evans et al., 2013), and, the time series and response spectra of the sensors compare favorably to the strong-motion 24-bit NZ GeoNet sensors (Cochran et al., 2011). To find ?, we measure deviations from the ?-2 fall-off on the acceleration amplitude spectrum of Fourier-transformed S-wave windows containing 80% of the S-wave energy. We use both manual and automated methods to fit the slope of the fall-off (i.e., ?) following Anderson and Hough (1984). A known issue with this method is that ? should be measured above the corner frequency (f0) to avoid bias from source effects. Studies have recently reported larger than average stress drops for these aftershocks (e.g., Kaiser and Oth, 2013), which may yield significant variation from the theoretically determined f0. Here, we aim to find the site attenuation, ?, by simultaneously solving for f0 and the seismic moment (M0) for each station and event. For robust results, we employ several methods to find the source and site parameters. Initially, we use a linearized least-squares fitting routine for each event-station pair (e.g., Anderson and Humphrey, 1991). This method does not require a single M0 for an event recorded at multiple stations, resulting in disagreements across M0 and f0 for any given event. Consequently, we also employ a more physically meaningful approach that calculates a single M0 and f0 for a given event using a linearized general inversion scheme (e.g., Sarker and Abers, 1998; Stachnik et al., 2004). Due to a strong trade-off between f0 and ?, we lastly try the nonlinear least-squares Gauss-Newton algorithm, which obtains a constant M0 and produces a more reasonable f0 and well-fitted ?. Initial results show ? estimates range from 0.01 to 0.1 sec and our calculated moment magnitudes (Mw) agree with the USGS NEIC catalog. Another goal of this study is to determine if the QCN data can be confidently used to find source parameters. With the vast amount of strong-motion data collected, QCN offers an ideal dataset to determine source parameters from spectral fitting; particularly in Christchurch, where smaller datasets may contain a proportionally higher number of recordings that are biased by local effects, including site amplification and nonlinear response like liquefaction. For a single event, preliminary findings show that QCN sensors yield higher M0 values than GeoNet stations, thus prompting further investigation.

  3. Use of the Combination Index to determine interactions between plant-derived phenolic acids on hepatotoxicity endpoints in human and rat hepatoma cells.

    PubMed

    Liu, Yitong; Flynn, Thomas J; Ferguson, Martine S; Hoagland, Erica M

    2013-03-15

    The beneficial or adverse effects of isolated phytochemicals are not always concordant with effects of the botanical dietary supplements from which they were derived. This disparity could be due to interactions between the various phytochemicals present in the whole plant. The phenolic acids, rosmarinic acid (RA), caffeic acid (CA) and ferulic acid (FA) are widely present in foods and dietary supplements, and they are assumed to exert various beneficial biological effects. However, there is little data on the potential biological interactions of these three phenolic acids which commonly occur together and are linked metabolically. In the present study, liver toxicity of the three phenolic acids was assessed on the three compounds singly and in various binary and one ternary combinations. A series of in vitro endpoints relevant to liver toxicity were evaluated in both a human (HepG2/C3A) and rat (MH1C1) hepatocyte cell line. The Combination Index (CI) was calculated for each endpoint from both the concentration responses of the single compounds and the responses of the various binary and ternary mixtures. Both synergistic and antagonistic interactions were observed for some endpoints and some combinations of test agents. Interactions were most prevalent in measures of oxidative stress and cytochrome P450 activities in both cell types. There was only a 53% concordance between the rat and human cells which may be suggestive of species differences. The data suggest an approach for better characterizing the beneficial or adverse effects of complex botanical products through evaluation of interactions between individual phytochemical components. PMID:23380082

  4. Images of Gravitational and Magnetic Phenomena Derived from Two-dimensional Back-projection Doppler Tomography of Interacting Binary Stars

    NASA Astrophysics Data System (ADS)

    Richards, Mercedes T.; Cocking, Alexander S.; Fisher, John G.; Conover, Marshall J.

    2014-11-01

    We have used two-dimensional back-projection Doppler tomography as a tool to examine the influence of gravitational and magnetic phenomena in interacting binaries that undergo mass transfer from a magnetically active star onto a non-magnetic main-sequence star. This multitiered study of over 1300 time-resolved spectra of 13 Algol binaries involved calculations of the predicted dynamical behavior of the gravitational flow and the dynamics at the impact site, analysis of the velocity images constructed from tomography, and the influence on the tomograms of orbital inclination, systemic velocity, orbital coverage, and shadowing. The H? tomograms revealed eight sources: chromospheric emission, a gas stream along the gravitational trajectory, a star-stream impact region, a bulge of absorption or emission around the mass-gaining star, a Keplerian accretion disk, an absorption zone associated with hotter gas, a disk-stream impact region, and a hot spot where the stream strikes the edge of a disk. We described several methods used to extract the physical properties of the emission sources directly from the velocity images, including S-wave analysis, the creation of simulated velocity tomograms from hydrodynamic simulations, and the use of synthetic spectra with tomography to sequentially extract the separate sources of emission from the velocity image. In summary, the tomography images have revealed results that cannot be explained solely by gravitational effects: chromospheric emission moving with the mass-losing star, a gas stream deflected from the gravitational trajectory, and alternating behavior between stream state and disk state. Our results demonstrate that magnetic effects cannot be ignored in these interacting binaries.

  5. Interaction between cellular voltage-sensitive conductance and network parameters in a model of neocortex can generate epileptiform bursting.

    SciTech Connect

    van Drongelen, W.; Lee, H. C.; Koch, H.; Elsen, F.; Carroll, M. S.; Hereld, M.; Stevens, R. L.; Mathematics and Computer Science; Univ. of Chicago

    2004-01-01

    We examined the effects of both intrinsic neuronal membrane properties and network parameters on oscillatory activity in a model of neocortex. A scalable network model with six different cell types was built with the pGENESIS neural simulator. The neocortical network consisted of two types of pyramidal cells and four types of inhibitory interneurons. All cell types contained both fast sodium and delayed rectifier potassium channels for generation of action potentials. A subset of the pyramidal neurons contained an additional slow inactivating (persistent) sodium current (NaP). The neurons with the NaP current showed spontaneous bursting activity in the absence of external stimulation. The model also included a routine to calculate a simulated electroencephalogram (EEG) trace from the population activity. This revealed emergent network behavior which ranged from desynchronized activity to different types of seizure-like bursting patterns. At settings with weaker excitatory network effects, the propensity to generate seizure-like behavior increased. Strong excitatory network connectivity destroyed oscillatory behavior, whereas weak connectivity enhanced the relative importance of the spontaneously bursting cells. Our findings are in contradiction with the general opinion that strong excitatory synaptic and/or insufficient inhibition effects are associated with seizure initiation, but are in agreement with previously reported behavior in neocortex.

  6. Precision measurements of the {sup 60}Co {beta}-asymmetry parameter in search for tensor currents in weak interactions

    SciTech Connect

    Wauters, F.; Kraev, I.; Beck, M.; Breitenfeldt, M.; De Leebeeck, V.; Golovko, V. V.; Kozlov, V. Yu.; Phalet, T.; Roccia, S.; Soti, G.; Tandecki, M.; Traykov, E.; Van Gorp, S.; Severijns, N. [K. U. Leuven, Instituut voor Kern-en Stralingsfysica, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Zakoucky, D. [Nuclear Physics Institute, ASCR, CZ-250 68 Rez (Czech Republic); Towner, I. S. [Cyclotron Institute, Texas A and M University, College Station, Texas 77845 (United States)

    2010-11-15

    The {beta}-asymmetry parameter A-tilde for the Gamow-Teller decay of {sup 60}Co was measured by polarizing the radioactive nuclei with the brute-force low-temperature nuclear-orientation method. The {sup 60}Co activity was cooled down to milliKelvin temperatures in a {sup 3}He-{sup 4}He dilution refrigerator in an external 13-T magnetic field. The {beta} particles were observed by a 500-{mu}m-thick Si PIN diode operating at a temperature of about 10 K in a magnetic field of 0.6 T. Extensive geant4 Monte Carlo simulations were performed to gain control over the systematic effects. Our result, A-tilde=-1.014(12){sub stat}(16){sub syst}, is in agreement with the standard-model value of -0.987(9), which includes recoil-order corrections that were addressed for the first time for this isotope. Further, it enables limits to be placed on possible tensor-type charged weak currents, as well as other physics beyond the standard model.

  7. The induction of lysis in lysogenic strains of Escherichia coli by a new antitumor transplatin derivative and its DNA interactions.

    PubMed

    Brabec, Viktor; Pracharova, Jitka; Novakova, Olga; Gibson, Dan; Kasparkova, Jana

    2015-02-28

    The toxicity of the new derivative of transplatin, namely trans-[PtCl2(DEA)(NH3)] (DEA = diethylamine), in which only one NH3 group was replaced by a small, non-bulky DEA ligand, in the cisplatin sensitive and resistant tumor cell lines was examined. The results indicate that this very small modification of the transplatin molecule results in a considerable enhancement of toxicity in the cancer cells. Thus, this finding is consistent with the thesis that the trans geometry in Pt(II)-dichlorido compounds can also be effectively activated by the replacement of only one NH3 ligand in transplatin by the non-bulky ligand, such as the short aliphatic amine, (C2H5)2NH. We also demonstrate that trans-[PtCl2(DEA)(NH3)], in contrast to transplatin, can be grouped with the coordination compounds exhibiting antitumor activity and capable of inducing lysis in lysogenic bacteria. Thus, these results afford, for the first time, experimental support for the view that DNA is the potential cellular target also for antitumor derivatives of transplatin. DNA binding mode of trans-[PtCl2(DEA)(NH3)] in cell-free media was examined as well. The results show that the small aliphatic DEA ligand has significant consequences for the DNA conformational changes. Unlike 'classical' transplatin, modification of DNA with trans-[PtCl2(DEA)(NH3)] leads to mainly bifunctional cross-links. The extent and destabilization of the double-helical structure of DNA by this new trans-platinum complex are similar to those induced by cisplatin. As a consequence the lesions effectively inhibit transcription of template DNA similarly to the lesions of cisplatin, but markedly more than the lesions of transplatin. The stronger inhibition of DNA transcription by the adducts of trans-[PtCl2(DEA)(NH3)] in comparison with the adducts of transplatin adds a new dimension to the impact of the activated trans geometry in platinum compounds on biological processes, possibly including DNA transcription. PMID:25406573

  8. Zero initial partial derivatives of satellite orbits with respect to force parameters nullify the mathematical basis of the numerical integration method for the determination of standard gravity models from space geodetic measurements

    NASA Astrophysics Data System (ADS)

    Xu, Peiliang

    2015-04-01

    Satellite orbits have been routinely used to produce models of the Earth's gravity field. The numerical integration method is most widely used by almost all major institutions to determine standard gravity models from space geodetic measurements. As a basic component of the method, the partial derivatives of a satellite orbit with respect to the force parameters to be determined, namely, the unknown harmonic coefficients of the gravitational model, have been first computed by setting the initial values of partial derivatives to zero. In this talk, we first design some simple mathematical examples to show that setting the initial values of partial derivatives to zero is generally erroneous mathematically. We then prove that it is prohibited physically. In other words, setting the initial values of partial derivatives to zero violates the physics of motion of celestial bodies. To conclude, the numerical integration method, as is widely used today by major institutions to produce standard satellite gravity models, is simply incorrect mathematically. As a direct consequence, further work is required to confirm whether the numerical integration method can still be used as a mathematical foundation to produce standard satellite gravity models. More details can be found in Xu (2009, Sci China Ser D-Earth Sci, 52, 562-566).

  9. N2O vibration-rotation parameters derived from measurements in the 900-1090- and 1580-2380/cm regions

    NASA Technical Reports Server (NTRS)

    Toth, Robert A.

    1987-01-01

    Fourier-transform spectrometric measurements of the N2O IR spectrum in the 900-1090 and 1580-2380/cm regions were obtained at a 0.005/cm resolution, and line frequencies of eight species for several ground state bands and hot bands are analyzed to obtain values of band centers and upper-state effective rotational constants. Several bands are reported for the first time. Least-squares fits for the 0400-0000, 0420(e)-0000, and 0510-0110 bands of the (N-14)2O-16 species suggest perturbation of the high-J levels of the upper states. Resonance interactions were noted in transitions including the 1001-1000 bands of (N-14)2O-16 and N-15N-14O-16.

  10. Interaction of Haemophilus parasuis with nasal and tracheal mucosa following intranasal inoculation of cesarean derived colostrum deprived (CDCD) swine.

    PubMed Central

    Vahle, J L; Haynes, J S; Andrews, J J

    1997-01-01

    Twenty-three cesarean derived, colostrum deprived pigs were obtained at 5 wk of age and inoculated intranasally with either 1.4 x 10(8) colony forming units of Haemophilus parasuis or sterile phosphate buffered saline. Pigs were euthanized at 4, 8, 12, 18, 26, or 36 h post-inoculation and tissues from the oropharynx and respiratory tract were obtained for qualitative bacterial culture, immunohistochemistry for H. parasuis antigens, and light and transmission electron microscopy. Haemophilus parasuis was consistently isolated from the nasal cavity (17/17, 100%) and trachea (13/17, 76%) and rarely isolated from the lung (3/17, 18%) and blood stream (1/17, 6%) of infected pigs. Antigens of H. parasuis were sporadically detected on the nasal mucosa (6/17, 35%) and trachea (8/17, 47%). Light microscopic lesions included submucosal and intraepithelial infiltrates of neutrophils and infrequent, patchy loss of cilia. Ultrastructural changes in nasal mucosal epithelial cells included cell protrusion, loss of cilia, and dilation of the cytocavitary network. Bacteria were infrequently identified and were either within an amorphous material at the apical surface of the cilia or were between individual cilia. These results suggest H. parasuis associates with the nasal mucosa and can induce a suppurative rhinitis with nasal mucosal epithelial cell degeneration. This process may represent an initial event in the pathogenesis of H. parasuis infection of swine. Images Figure 1. Figure 2. Figure 3. Figure 4. Figure 5. PMID:9243000

  11. Protein-specific force field derived from the fragment molecular orbital method can improve protein-ligand binding interactions.

    PubMed

    Chang, Le; Ishikawa, Takeshi; Kuwata, Kazuo; Takada, Shoji

    2013-05-30

    Accurate computational estimate of the protein-ligand binding affinity is of central importance in rational drug design. To improve accuracy of the molecular mechanics (MM) force field (FF) for protein-ligand simulations, we use a protein-specific FF derived by the fragment molecular orbital (FMO) method and by the restrained electrostatic potential (RESP) method. Applying this FMO-RESP method to two proteins, dodecin, and lysozyme, we found that protein-specific partial charges tend to differ more significantly from the standard AMBER charges for isolated charged atoms. We did not see the dependence of partial charges on the secondary structure. Computing the binding affinities of dodecin with five ligands by MM PBSA protocol with the FMO-RESP charge set as well as with the standard AMBER charges, we found that the former gives better correlation with experimental affinities than the latter. While, for lysozyme with five ligands, both charge sets gave similar and relatively accurate estimates of binding affinities. PMID:23420697

  12. BayesPI - a new model to study protein-DNA interactions: a case study of condition-specific protein binding parameters for Yeast transcription factors

    PubMed Central

    Wang, Junbai; Morigen

    2009-01-01

    Background We have incorporated Bayesian model regularization with biophysical modeling of protein-DNA interactions, and of genome-wide nucleosome positioning to study protein-DNA interactions, using a high-throughput dataset. The newly developed method (BayesPI) includes the estimation of a transcription factor (TF) binding energy matrices, the computation of binding affinity of a TF target site and the corresponding chemical potential. Results The method was successfully tested on synthetic ChIP-chip datasets, real yeast ChIP-chip experiments. Subsequently, it was used to estimate condition-specific and species-specific protein-DNA interaction for several yeast TFs. Conclusion The results revealed that the modification of the protein binding parameters and the variation of the individual nucleotide affinity in either recognition or flanking sequences occurred under different stresses and in different species. The findings suggest that such modifications may be adaptive and play roles in the formation of the environment-specific binding patterns of yeast TFs and in the divergence of TF binding sites across the related yeast species. PMID:19857274

  13. Effect of nonlinear optical three-wave interaction on the lasing parameters of a dual-wavelength vertical-external-cavity surface-emitting laser

    SciTech Connect

    Morozov, M Yu; Morozov, Yu A [Kotel'nikov Institute of Radio Engineering and Electronics, Russian Academy of Sciences, Saratov Branch, Saratov (Russian Federation); Krasnikova, I V [Yu A Gagarin Saratov State Technical University, Saratov (Russian Federation)

    2013-09-30

    The influence of nonlinear optical interaction in a semiconductor dual-wavelength vertical-external-cavity surface-emitting laser on the main parameters of dual-wavelength radiation and lasing in the long-wavelength part of the mid-IR range, obtained in this laser as a result of nonlinear wave mixing, is investigated. An increase in the pump power leads to saturation of the short-wavelength lasing intensity and to a more rapid rise in the long-wavelength lasing intensity in comparison with the linear increase in lasing intensity in these regions in the absence of nonlinear interaction. Under the conditions of nonlinear interaction, the carrier concentration in the active layers is not stabilised near the lasing threshold but changes with an increase in the pump intensity and provides the corresponding gain in the laser active region, thus maintaining steadystate lasing. Some ways for modifying the laser active region in order to obtain the most efficient lasing in the mid-IR range are proposed. (nonlinear optical phenomena)

  14. Spectroscopic studies on the interaction between Pr(III) complex of an ofloxacin derivative and bovine serum albumin or DNA

    NASA Astrophysics Data System (ADS)

    Xu, Min; Ma, Zhao-Rong; Huang, Liang; Chen, Feng-Juan; Zeng, Zheng-zhi

    2011-01-01

    The binding properties on [PrL 2(NO 3)](NO 3) 2 (L = 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperaziny)-7-oxo-7Hpyrido[1,2,3-de]-1,4-benzoxazine-6-carbaldehyde benzoyl hydrazone) to bovine serum albumin (BSA) have been studied for the first time using fluorescence spectroscopy in combination with UV-Vis absorbance spectroscopy. The results showed that [PrL 2(NO 3)](NO 3) 2 strongly quenched the intrinsic fluorescence of BSA through a static quenching procedure, and non-radiation energy transfer happened within molecules. The number of binding site was about 1, and the efficiency of Förster energy transfer provided a distance of 4.26 nm between tryptophan and [PrL 2(NO 3)](NO 3) 2 binding site. At 288, 298, 310 K, the quenching constants of BSA-[PrL 2(NO 3)](NO 3) 2 system were 5.11 × 10 4, 4.33 × 10 4 and 3.71 × 10 4 l M -1. ? H, ? S and ? G were obtained based on the quenching constants and thermodynamic theory (? H < 0, ? S > 0 and ? G < 0). These results indicated that hydrophobic and electrostatic interactions are the mainly binding forces in the [PrL 2(NO 3)](NO 3) 2-BSA system. In addition, the CD spectra have proved that BSA secondary structure changed in the presence of [PrL 2(NO 3)](NO 3) 2 in aqueous solution. Moreover, the interaction between [PrL 2(NO 3)](NO 3) 2 and calf thymus DNA (CT DNA) was studied by spectroscopy and viscosity measurements, which showed that the binding mode of the [PrL 2(NO 3)](NO 3) 2 with DNA is intercalation. The DNA cleavage results show that in the absence of any reducing agent, the [PrL 2(NO 3)](NO 3) 2 can cleave plasmid pBR322 DNA and its hydrolytic mechanism was demonstrated with hydroxyl radical scavengers and singlet oxygen quenchers.

  15. A necessary condition for the critical ionization velocity interaction

    Microsoft Academic Search

    N. Brenning

    1982-01-01

    The possibility of critical ionization velocity (VC) interaction in a configuration consisting of a highly ionized plasma streaming into a region with neutral gas is discussed. The energy flow in the interaction was studied and a condition which can be used to determine whether VC interaction is energetically impossible, just possible or easily possible was derived. Parameters used are: the

  16. Spectroscopic study of the interaction of styrylcyanine dyes Sbo, Sil and their derivatives with bovine serum albumin.

    PubMed

    Kurtaliev, Eldar N

    2011-07-01

    The spectral-luminescent characteristics of newly synthesized styrylcyanine dyes on the base of dyes Sbo ((E)-2-(4-(dimethylamino)styryl)-3-methylbenzo[d]oxazol-3-ium iodide) and Sil ((E)-2-(4-(dimethylamino)styryl)-1,3,3-trimethyl-3H-indolium perchlorate) in aqueous solutions without and in the presence of bovine serum albumin (BSA) were studied. It was established that the absorption spectra of dyes Tol-6, Dbo-10 and Dil-10 with increasing amount of BSA appear new bands with ?(max)=505 nm, ?(max)=512 nm and ?(max)=566 nm, respectively, whose intensity increases in proportion to the amount of albumin. The intensity of the glow of the main band of fluorescence in the presence of BSA sharply increases. The binding constant (K) and the number of binding sites (N) of studied dyes with BSA were determined. The dependence of binding constants with BSA on the dipole moment of dye molecules was determined, which indicates that besides electrostatic forces of attraction between molecules styrylcyanine dyes with BSA, hydrophobic interactions are essential. PMID:21360296

  17. Analytic derivation of an approximate SU(3) symmetry inside the symmetry triangle of the interacting boson approximation model

    SciTech Connect

    Bonatsos, Dennis; Karampagia, S. [Institute of Nuclear Physics, National Center for Scientific Research 'Demokritos', GR-15310 Aghia Paraskevi, Attiki (Greece); Casten, R. F. [Wright Nuclear Structure Laboratory, Yale University, New Haven, Connecticut 06520 (United States)

    2011-05-15

    Using a contraction of the SU(3) algebra to the algebra of the rigid rotator in the large-boson-number limit of the interacting boson approximation (IBA) model, a line is found inside the symmetry triangle of the IBA, along which the SU(3) symmetry is preserved. The line extends from the SU(3) vertex to near the critical line of the first-order shape/phase transition separating the spherical and prolate deformed phases, and it lies within the Alhassid-Whelan arc of regularity, the unique valley of regularity connecting the SU(3) and U(5) vertices in the midst of chaotic regions. In addition to providing an explanation for the existence of the arc of regularity, the present line represents an example of an analytically determined approximate symmetry in the interior of the symmetry triangle of the IBA. The method is applicable to algebraic models possessing subalgebras amenable to contraction. This condition is equivalent to algebras in which the equilibrium ground state and its rotational band become energetically isolated from intrinsic excitations, as typified by deformed solutions to the IBA for large numbers of valence nucleons.

  18. Zinc(II) interactions with brain-derived neurotrophic factor N-terminal peptide fragments: inorganic features and biological perspectives.

    PubMed

    Travaglia, Alessio; La Mendola, Diego; Magrì, Antonio; Pietropaolo, Adriana; Nicoletti, Vincenzo G; Grasso, Giuseppe; Malgieri, Gaetano; Fattorusso, Roberto; Isernia, Carla; Rizzarelli, Enrico

    2013-10-01

    Brain-derived neurotrophic factor (BDNF) is a neurotrophin essential for neuronal differentiation, growth, and survival; it is involved in memory formation and higher cognitive functions. The N-terminal domain of BDNF is crucial for the binding selectivity and activation of its specific TrkB receptor. Zn(2+) ion binding may influence BDNF activity. Zn(2+) complexes with the peptide fragment BDNF(1-12) encompassing the sequence 1-12 of the N-terminal domain of BDNF were studied by means of potentiometry, electrospray mass spectrometry, NMR, and density functional theory (DFT) approaches. The predominant Zn(2+) complex species, at physiological pH, is [ZnL] in which the metal ion is bound to an amino, an imidazole, and two water molecules (NH2, N(Im), and 2O(water)) in a tetrahedral environment. DFT-based geometry optimization of the zinc coordination environment showed a hydrogen bond between the carboxylate and a water molecule bound to zinc in [ZnL]. The coordination features of the acetylated form [AcBDNF(1-12)] and of a single mutated peptide [BDNF(1-12)D3N] were also characterized, highlighting the role of the imidazole side chain as the first anchoring site and ruling out the direct involvement of the aspartate residue in the metal binding. Zn(2+) addition to the cell culture medium induces an increase in the proliferative activity of the BDNF(1-12) peptide and of the whole protein on the SHSY5Y neuroblastoma cell line. The effect of Zn(2+) is opposite to that previously observed for Cu(2+) addition, which determines a decrease in the proliferative activity for both peptide and protein, suggesting that these metals might discriminate and modulate differently the activity of BDNF. PMID:24070197

  19. Selective interactions of cytochromes P-450 with the hydroxymethyl derivatives of 7,12-dimethylbenz[a]anthracene.

    PubMed

    Christou, M; Marcus, C; Jefcoate, C R

    1986-06-01

    Competition between a hydroxylated metabolite and the parent polycyclic aromatic hydrocarbon (PAH) for metabolism at cytochromes P-450 may result in the generation of hydroxylated dihydrodiol epoxides. The effectiveness of the competition between 7-hydroxymethyl-12-methylbenz[a]anthracene (7HOMMBA) or 12-hydroxymethyl-7-methylbenz[a]anthracene (12HOMMBA) and 7,12-dimethylbenz[a]anthracene (DMBA) is highly dependent on the form(s) of cytochrome P-450 in the microsomes. The inhibitory effects of exogenously added 7HOMMBA or 12HOMMBA on DMBA metabolism were 30- to 50-fold greater in 3-methylcholanthrene (MC)-induced rat liver microsomes (Ki = 0.4 microM) compared to either uninduced or phenobarbital (PB)-induced liver microsomes (Ki = 14 and 11 microM, respectively). Similarly, product inhibition of total DMBA metabolism by metabolites generated in situ was significant only in MC-induced liver microsomes (Ki' = 2.5 microM). Metabolism of 7HOMMBA in these microsomes was strongly restricted by an unusual substrate inhibition derived from the inhibitory binding of a second molecule of 7HOMMBA. This same phenomenon was observed with reconstituted cytochrome P-450c but not with PB-induced or uninduced microsomes. Complex formation by binding of DMBA, 7HOMMBA, and 12HOMMBA to purified P-450c reconstituted in phospholipid micelles was determined by optical spectroscopy and fluorescence quenching. Binding affinities of both the 7HOMMBA and 12HOMMBA (Kd = 95 and 110 nM, respectively), were 2.5-fold higher compared to that of DMBA (Kd = 265 nM). These results provide a first demonstration that hydroxylation of a PAH can lead to preferential metabolism through an increased affinity for cytochrome P-450. PMID:3085967

  20. Global mapping of vegetation parameters from POLDER multiangular measurements for studies of surface-atmosphere interactions: A pragmatic method and its validation

    NASA Astrophysics Data System (ADS)

    Roujean, Jean-Louis; Lacaze, Roselyne

    2002-06-01

    This paper presents a pragmatic method to produce global maps of vegetation parameters, which offer essential data for weather forecast and climate modeling. The crucial variables are leaf area index (LAI), fractional vegetation cover (FVC), and fraction of absorbed photosynthetically active radiation (fAPAR). The approach relies on the use of spectral and directional vegetation indices simulated by a bidirectional reflectance model and calibrated against sets of satellite data. The model belongs to the kernel-driven category, and the coefficients obtained, as the result of linear inversion, are the basis of the proposed method. The strategy presented relies upon the existence of suitable angular measurements to derive each biophysical parameter. An application is shown with the global POLDER/ADEOS-I database. Special attention is given here to the future production of LAI and fAPAR since the albedo is a product already disseminated by the POLDER production center. Terrestrial ecosystems show a high level of aggregation and, in practice, only effective LAI can be measured. Therefore a correction factor, namely the clumping index, must be applied to help resolve the scaling issue. Clumping corrections are performed biome by biome, using empirical equations where it appears that LAI assessments for boreal and tropical forests would otherwise be significantly inaccurate. However, the effect of clumping will be less on FVC and fAPAR. The relevance of the proposed method is demonstrated through a comparison of POLDER-derived LAI values with a varied set of ground LAI measurements, including their coherence with the corresponding fAPAR.

  1. Atmospheric parameters in a subtropical cloud regime transition derived by AIRS and MODIS: observed statistical variability compared to ERA-Interim

    NASA Astrophysics Data System (ADS)

    Schreier, M. M.; Kahn, B. H.; Sušelj, K.; Karlsson, J.; Ou, S. C.; Yue, Q.; Nasiri, S. L.

    2014-04-01

    Cloud occurrence, microphysical and optical properties, and atmospheric profiles within a subtropical cloud regime transition in the northeastern Pacific Ocean are obtained from a synergistic combination of the Atmospheric Infrared Sounder (AIRS) and the MODerate resolution Imaging Spectroradiometer (MODIS). The observed cloud parameters and atmospheric thermodynamic profile retrievals are binned by cloud type and analyzed based on their probability density functions (PDFs). Comparison of the PDFs to data from the European Centre for Medium Range Weather Forecasting reanalysis (ERA-Interim) shows a strong difference in the occurrence of the different cloud types compared to clear sky. An increasing non-Gaussian behavior is observed in cloud optical thickness (?c), effective radius (re) and cloud-top temperature (Tc) distributions from stratocumulus to trade cumulus, while decreasing values of lower-tropospheric stability are seen. However, variations in the mean, width and shape of the distributions are found. The AIRS potential temperature (?) and water vapor (q) profiles in the presence of varying marine boundary layer (MBL) cloud types show overall similarities to the ERA-Interim in the mean profiles, but differences arise in the higher moments at some altitudes. The differences between the PDFs from AIRS+MODIS and ERA-Interim make it possible to pinpoint systematic errors in both systems and help to understand joint PDFs of cloud properties and coincident thermodynamic profiles from satellite observations.

  2. Use of Descartes Folium Equation for Deriving a Relation between Total Aperture of Fractures after Uniaxial Compression and Strain Parameters of Different Rocks Exhibiting Negative Total Volumetric Strains

    NASA Astrophysics Data System (ADS)

    Palchik, V.

    2014-11-01

    The axial, crack and total volumetric strains, porosity, elastic constants, crack damage stresses, uniaxial compressive strengths, as well as fracture apertures and number of fracture traces in rock samples surface after compression were defined for different chalk, basalt, dolomite, granite, limestone and sandstone samples exhibiting negative total volumetric strain at failure. It is established that the total (summed) aperture of vertical fractures obtained on the lateral surface of rock sample is related to three characteristic strain parameters: axial strain at the onset of negative total volumetric strain, axial failure strain and negative total volumetric strain at failure. The relation is based on Descartes folium equation, where the length of the loop of folium is equal to axial strain coordinate at the onset of negative total volumetric strain. This relation shows that the total aperture increases according to power law with increasing difference between axial failure strain and axial strain at the onset of negative total volumetric strain. Simultaneously, an increase in this difference leads to an increase in the value of negative total volumetric strain at failure. It is found that a direct correlation between total aperture of fractures and negative total volumetric strain at failure is relatively weak. Nevertheless, total aperture of fractures tends to increase with increasing absolute value of negative total volumetric strain at failure. It is revealed that there is no connection between the number of fracture traces and negative total volumetric strain at failure.

  3. Modeling the sorption kinetic of metsulfuron-methyl on Andisols and Ultisols volcanic ash-derived soils: kinetics parameters and solute transport mechanisms.

    PubMed

    Cáceres, Lizethly; Escudey, Mauricio; Fuentes, Edwar; Báez, María E

    2010-07-15

    Metsulfuron-methyl sorption kinetic was studied in Andisol and Ultisol soils in view of their distinctive physical and chemical properties: acidic pH and variable surface charge. Different kinetic models were applied to the experimental results. The pseudo-second-order model fitted sorption kinetics data better than the pseudo-first-order model. The rate constant and the initial rate constant values obtained through this model demonstrated the different behavior of metsulfuron-methyl in both kinds of soils, both parameters being the highest for Andisol. The application of Elovich equation, intraparticle diffusion model and a two-site nonequilibrium model (TSNE) allowed to conclude that: (i) the high organic matter content is the governing factor for Andisols where mass transfer across the boundary layer, and in a lesser degree, intraparticle diffusion were the two processes controlling sorption kinetic and (ii) the mineral composition was more relevant in Ultisols where rate was controlled almost exclusively by intraparticle diffusion into macropores and micropores. The slower sorption rate on Ultisols, the mechanism involved and the lower sorption capacity of this kind of soils must be taken into account to assess leaching behavior of this herbicide. PMID:20399011

  4. Influence of relative humidity on the interaction between different aryl propionic acid derivatives and poly(vinylpyrrolydone) K30: evaluation of the effect on drug bioavailability.

    PubMed

    Malaj, Ledjan; Censi, Roberta; Mozzicafreddo, Matteo; Pellegrino, Luca; Angeletti, Mauro; Gobetto, Roberto; Di Martino, Piera

    2010-10-15

    The present work assessed the physical interactions between several aryl propionic acid derivatives and polyvinyl(pyrrolidone) K30 (PVP), stored together at 298+/-0.5K at different relative humidities (RH 55, 75 and 86%). Results were compared to those obtained at low RH (22%), published in a previous paper. The water uptake percentage of binary mixtures were intermediate between that of pure PVP and pure drugs. By X-ray powder diffraction, for all the drugs, it was possible to note a marked decrease in crystallinity degree, in particular at highest RH%. The loss in crystallinity degree may be considered an evidence of the physicochemical interaction between the polymer and the drug, supporting the formation of a solid dispersion. By high-resolution (1)H solid-state NMR spectrometry, it was possible to observe an increase of drug-polymer interaction with aging, with the only exception of ibuprofen. Molecular docking proved the establishment of Van der Waals and electrostatic interactions for all the mixtures, and for mixtures with fenbufen and naproxen, also hydrogen bonds. The application of Gordon-Taylor rule to the thermal analysis revealed that the requirement of volume additivity of this rule was not fulfilled for any mixture, and a negative deviation from theoretical behaviour was always observed. The hydration of drug-PVP mixtures had important repercussion on drug solubility and intrinsic dissolution rate (IDR). In general, an increase in water solubility and consequently an increase in IDR were observed, with few exceptions, at highest RH%. PMID:20655373

  5. Sandstone and shale compaction curves derived from sonic and gamma ray logs in offshore wells, North Slope, Alaska; parameters for basin modeling

    USGS Publications Warehouse

    Rowan, Elisabeth L.; Hayba, Daniel O.; Nelson, Philip H.; Burns, W. Matthew; Houseknecht, David W.

    2003-01-01

    Representative compaction curves for the principle lithologies are essential input for reliable models of basin history. Compaction curves influence estimates of maximum burial and erosion. Different compaction curves may produce significantly different thermal histories. Default compaction curves provided by basin modeling packages may or may not be a good proxy for the compaction properties in a given area. Compaction curves in the published literature span a wide range, even within one lithology, e.g., sandstone (see Panel 3). An abundance of geophysical well data for the North Slope, from both government and private sources, provides us with an unusually good opportunity to develop compaction curves for the Cretaceous-Tertiary Brookian sandstones, siltstones, and shales. We examined the sonic and gamma ray logs from 19 offshore wells (see map), where significant erosion is least likely to have occurred. Our data are primarily from the Cretaceous-Tertiary Brookian sequence and are less complete for older sequences. For each well, the fraction of shale (Vsh) at a given depth was estimated from the gamma ray log, and porosity was computed from sonic travel time. By compositing porosities for the near-pure sand (Vsh99%)from many individual wells we obtained data over sufficient depth intervals to define sandstone and shale 'master' compaction curves. A siltstone curve was defined using the sonic-derived porosities for Vsh values of 50%. These compaction curves generally match most of the sonic porosities with an error of 5% or less. Onshore, the curves are used to estimate the depth of maximum burial at the end of Brookian sedimentation. The depth of sonic-derived porosity profiles is adjusted to give the best match with the 'master' compaction curves. The amount of the depth adjustment is the erosion estimate. Using our compaction curves, erosion estimates on the North Slope range from zero in much of the offshore, to as much as 1500 ft along the coast, and to more than 10,000 ft in the foothills (Panel 3). Compaction curves provide an alternative to vitrinite reflectance for estimating erosion. Vitrinite reflectance data are often very sparse in contrast to well log data and are subject to inconsistencies when measurements are made by different labs. The phenomenon of 'recycling' can also make the reflectance values of dispersed vitrinite problematic for quantifying erosion. Recycling is suspected in dispersed vitrinite in North Slope rocks, particularly in the younger, Cretaceous-Tertiary section. The compaction curves defined here are being integrated into our burial history and thermal models to determine the timing of source rock maturation. An example on Panel 3 shows the results of calculating the maturity of the Shublik Fm. at the Tulaga well using two different sets of shale and siltstone compaction curves. Finally, accurate compaction curves improve a model's ability to realistically simulate the pressure regime during burial, including overpressures.

  6. Structural characterization and biological fluid interaction of Sol-Gel-derived Mg-substituted biphasic calcium phosphate ceramics.

    PubMed

    Gomes, S; Renaudin, G; Jallot, E; Nedelec, J-M

    2009-02-01

    Sol-Gel chemistry has been used to prepare undoped and Mg-substituted biphasic calcium phosphate (BCP) ceramics composed of hydroxyapatite (HAp) and whitlockite (beta-TCP) phases. Different series of samples have been synthesized with different Mg-doping levels (from 0 to 5 atomic % of Ca atoms substituted) and different temperatures of calcination (from 500 to 1100 degrees C). All of the powdered samples were systematically treated by Rietveld refinement to extract the quantitative phase analysis and the structural and microstructural parameters, to locate the Mg crystallographic sites, and to refine the composition of the Mg-substituted phases. The temperature dependence of the weight amount ratio between HAp and beta-TCP is not monotonic because of the formation of minor phases such as Ca(2)P(2)O(7), CaO, MgO, and CaCO(3) and certainly an amorphous phase. On the other hand, the Mg stabilizing feature on the beta-TCP phase has been evidenced and explained. The mechanism of stabilization by small Mg(2+) is different from that by large Sr(2+). Nevertheless, in both cases, the beta-TCP stabilization is realized by an improvement of the environment of the Ca4 site unusually face-coordinated to a PO(4) tetrahedron. The substitution of a Mg atom in the Ca5 site allows considerable improvement of the bond valence sum of the unusual Ca4 polyhedron. The temperatures of calcination combined with the amount of Mg atoms introduced allow monitoring of the phase composition of the BCP ceramics as well as their microstructural properties. The bioactivity properties of the BCP samples are improved by the presence of Mg atoms in the structure of the beta-TCP phase. The mechanism of improvement is mainly attributed to an accelerated kinetic of precipitation of a calcium phosphate layer at the surface comprising HAp and/or beta-TCP phases. PMID:20353243

  7. Naphthalenedisulfonic acid derivatives inhibit HIV-1-induced cytopathogenesis, syncytia formation and virus-cell binding by interaction with the viral envelope glycoprotein

    SciTech Connect

    Mohan, P. [Univ. of Illinois, Chicago, IL (United States); Schols, D.; De Clercq, E. [Katholieke Universiteit Leuven (Belgium); Shigeta, S.; Baba, M. [Fukushima Medical College (Japan)

    1993-12-31

    Bis naphthalenedisulfonic acid analogs with biphenyl spacers have exhibited potent and selective inhibition of HIV-1 replication and giant cell formation. FACS analysis has revealed that these agents also inhibit viral binding to the target cell. Further mechanism of action studies by the FACA method demonstrate that the sulfonic acid analogs inhibit binding of anti-gp120 monoclonal antibody to the viral envelope of glycoprotein, gp120. Binding of OKT4A/Leu3a monoclonal antibody to the target cell CD4 receptor is not affected by these compounds. This investigation suggests that these naphthalenedisulfonic acid derivatives exert their anti-HIV-1 activity by inhibiting the gp120-CD4 interaction through binding of these agents to the viral gp120 antigen.

  8. Recognition of O6-benzyl-2?-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction

    PubMed Central

    Kowal, Ewa A.; Lad, Rahul R.; Pallan, Pradeep S.; Dhummakupt, Elizabeth; Wawrzak, Zdzislaw; Egli, Martin; Sturla, Shana J.; Stone, Michael P.

    2013-01-01

    The 2?-deoxynucleoside containing the synthetic base 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-perimidin-2(3H)-one] (dPer) recognizes in DNA the O6-benzyl-2?-deoxyguanosine nucleoside (O6-Bn-dG), formed by exposure to N-benzylmethylnitrosamine. Herein, we show how dPer distinguishes between O6-Bn-dG and dG in DNA. The structure of the modified Dickerson–Drew dodecamer (DDD) in which guanine at position G4 has been replaced by O6-Bn-dG and cytosine C9 has been replaced with dPer to form the modified O6-Bn-dG:dPer (DDD-XY) duplex [5?-d(C1G2C3X4A5A6T7T8Y9G10C11G12)-3?]2 (X = O6-Bn-dG, Y = dPer) reveals that dPer intercalates into the duplex and adopts the syn conformation about the glycosyl bond. This provides a binding pocket that allows the benzyl group of O6-Bn-dG to intercalate between Per and thymine of the 3?-neighbor A:T base pair. Nuclear magnetic resonance data suggest that a similar intercalative recognition mechanism applies in this sequence in solution. However, in solution, the benzyl ring of O6-Bn-dG undergoes rotation on the nuclear magnetic resonance time scale. In contrast, the structure of the modified DDD in which cytosine at position C9 is replaced with dPer to form the dG:dPer (DDD-GY) [5?-d(C1G2C3G4A5A6T7T8Y9G10C11G12)-3?]2 duplex (Y = dPer) reveals that dPer adopts the anti conformation about the glycosyl bond and forms a less stable wobble pairing interaction with guanine. PMID:23748954

  9. The Mineralogical Record of Oxygen Fugacity Variation and Alteration in Northwest Africa 8159: Evidence for Interaction Between a Mantle Derived Martian Basalt and a Crustal Component(s)

    NASA Technical Reports Server (NTRS)

    Shearer, Charles K.; Burger, Paul V.; Bell, Aaron S.; McCubbin, Francis M.; Agee, Carl; Simon, Justin I.; Papike, James J.

    2015-01-01

    A prominent geochemical feature of basaltic magmatism on Mars is the large range in initial Sr isotopic ratios (approx. 0.702 - 0.724) and initial epsilon-Nd values (approx. -10 to greater than +50). Within this range, the shergottites fall into three discreet subgroups. These subgroups have distinct bulk rock REE patterns, mineral chemistries (i.e. phosphate REE patterns, Ni, Co, V in olivine), oxygen fugacity of crystallization, and stable isotopes, such as O. In contrast, nakhlites and chassignites have depleted epsilon-Nd values (greater than or equal to +15), have REE patterns that are light REE enriched, and appear to have crystallized near the FMQ buffer. The characteristics of these various martian basalts have been linked to different reservoirs in the martian crust and mantle, and their interactions during the petrogenesis of these magmas. These observations pose interesting interpretive challenges to our understanding of the conditions of the martian mantle (e.g. oxygen fugacity) and the interaction of mantle derived magmas with the martian crust and surface. Martian meteorite NWA 8159 is a unique fine-grained augite basalt derived from a highly depleted mantle source as reflected in its initial epsilon-Nd value, contains a pronounced light REE depleted pattern, and crystallized presumably under very oxidizing conditions. Although considerably older than both shergottites and nahklites, it has been petrogenetically linked to both styles of martian magmatism. These unique characteristics of NWA 8159 may provide an additional perspective for deciphering the petrogenesis of martian basalts and the nature of the crust of Mars.

  10. Prioritization of active antimalarials using structural interaction profile of Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR)-triclosan derivatives.

    PubMed

    Kumar, S P; George, L B; Jasrai, Y T; Pandya, H A

    2015-01-01

    An empirical relationship between the experimental inhibitory activities of triclosan derivatives and its computationally predicted Plasmodium falciparum enoyl-acyl carrier protein (ACP) reductase (PfENR) dock poses was developed to model activities of known antimalarials. A statistical model was developed using 57 triclosan derivatives with significant measures (r = 0.849, q(2) = 0.619, s = 0.481) and applied on structurally related and structurally diverse external datasets. A substructure-based search on ChEMBL malaria dataset (280 compounds) yielded only two molecules with significant docking energy, whereas eight active antimalarials (EC(50) < 100 nM, tested on 3D7 strain) with better predicted activities (pIC(50) ~ 7) from Open Access Malaria Box (400 compounds) were prioritized. Further, calculations on the structurally diverse rhodanine molecules (known PfENR inhibitors) distinguished actives (experimental IC(50) = 0.035 ?M; predicted pIC(50) = 6.568) and inactives (experimental IC(50) = 50 ?M; predicted pIC50 = -4.078), which showed that antimalarials possessing dock poses similar to experimental interaction profiles can be used as leads to test experimentally on enzyme assays. PMID:25567142

  11. Thiol-reactive Derivatives of the Solvatochromic 4-N,N-Dimethylamino-1,8-naphthalimide Fluorophore: A Highly Sensitive Toolset for the Detection of Biomolecular Interactions

    PubMed Central

    Loving, Galen; Imperiali, Barbara

    2009-01-01

    The solvatochromic fluorophore 4-N,N-dimethylamino-1,8-naphthalimide (4-DMN) possesses extremely sensitive emission properties due largely to the low intrinsic fluorescence it exhibits in polar protic solvents like water. This makes it well suited as a probe for the detection of a wide range of biomolecular interactions. Herein we report the development and evaluation of a new series of thiol-reactive agents derived from this fluorophore. The members of this series vary according to linker type and the electrophilic group required for the labeling of proteins and other biologically relevant molecules. Using the calcium-binding protein calmodulin as a model system, we compare the performance of the 4-DMN derivatives to that of several commercially available solvatochromic fluorophores identifying many key factors import to the successful application of such tools. This study also demonstrates the power of this new series of labeling agents by yielding a fluorescent calmodulin construct capable of producing a greater than 100-fold increase in emission intensity upon binding to calcium. PMID:19821578

  12. Thymus-derived lymphocytes and their interactions with macrophages are required for the production of osteoclast-activating factor in the mouse.

    PubMed Central

    Horowitz, M; Vignery, A; Gershon, R K; Baron, R

    1984-01-01

    A bone-resorbing factor, comparable to the osteoclast-activating factor (OAF) produced from peripheral blood leukocytes, is shown to be produced by murine spleen cells activated with the T-cell mitogen Con A. Murine OAF is demonstrated here as being a product of the interaction between thymus-derived T lymphocytes and macrophages. Activation of T cells in the presence of macrophages with Con A yields culture supernatants with OAF activity. This OAF activity is not dialyzable and is not extracted by lipid solvents. Purified B cells in the presence or absence of macrophages and cocultured with Con A or activated with the B-cell-specific mitogen lipopolysaccharide yield culture supernatants with no detectable OAF activity. Similarly, macrophages cocultured with Con A or activated with lipopolysaccharide fail to yield culture supernatants with bone resorbing activity. These types of immune cell interactions are similar to that required for the production of lymphokines. These data support the hypothesis that one aspect of regulation of bone remodeling is through cells of the immune system. PMID:6609360

  13. Interactions of Neuropathogenic Escherichia coli K1 (RS218) and Its Derivatives Lacking Genomic Islands with Phagocytic Acanthamoeba castellanii and Nonphagocytic Brain Endothelial Cells

    PubMed Central

    Yousuf, Farzana Abubakar; Yousuf, Zuhair; Iqbal, Junaid; Siddiqui, Ruqaiyyah; Khan, Hafsa; Khan, Naveed Ahmed

    2014-01-01

    Here we determined the role of various genomic islands in E. coli K1 interactions with phagocytic A. castellanii and nonphagocytic brain microvascular endothelial cells. The findings revealed that the genomic islands deletion mutants of RS218 related to toxins (peptide toxin, ?-hemolysin), adhesins (P fimbriae, F17-like fimbriae, nonfimbrial adhesins, Hek, and hemagglutinin), protein secretion system (T1SS for hemolysin), invasins (IbeA, CNF1), metabolism (D-serine catabolism, dihydroxyacetone, glycerol, and glyoxylate metabolism) showed reduced interactions with both A. castellanii and brain microvascular endothelial cells. Interestingly, the deletion of RS218-derived genomic island 21 containing adhesins (P fimbriae, F17-like fimbriae, nonfimbrial adhesins, Hek, and hemagglutinin), protein secretion system (T1SS for hemolysin), invasins (CNF1), metabolism (D-serine catabolism) abolished E. coli K1-mediated HBMEC cytotoxicity in a CNF1-independent manner. Therefore, the characterization of these genomic islands should reveal mechanisms of evolutionary gain for E. coli K1 pathogenicity. PMID:24818136

  14. Interaction Interaction

    E-print Network

    Hehner, Eric C.R.

    Interaction 1/54 #12;Interaction shared variables 2/54 #12;Interaction shared variables can be read and written by any process (most interaction) 3/54 #12;Interaction shared variables can be read and written by any process (most interaction) difficult to implement 4/54 #12;Interaction shared variables can

  15. EFFECTS ON HUMAN PLASMINOGEN CONFORMATION AND ACTIVATION RATE CAUSED BY INTERACTION WITH VEK-30, A PEPTIDE DERIVED FROM THE GROUP A STREPTOCOCCAL M-LIKE PROTEIN (PAM)*

    PubMed Central

    Figuera-Losada, Mariana; Ranson, Marie; Sanderson-Smith, Martina L.; Walker, Mark J.; Castellino, Francis J.; Prorok, Mary

    2010-01-01

    In vertebrates, fibrinolysis is primarily carried out by the serine protease plasmin (Pm), which is derived from activation of the zymogen precursor, plasminogen (Pg). One of the most distinctive features of Pg/Pm is the presence of five homologous kringle (K) domains. These structural elements possess conserved Lys-binding sites (LBS) that facilitate interactions with substrates, activators, inhibitors and receptors. In human Pg (hPg), K2 displays weak Lys affinity, however the LBS of this domain has been implicated in an atypical interaction with the N-terminal region of a bacterial surface protein known as PAM (Pg-binding group A streptococcal M-like protein). A direct correlation has been established between invasiveness of group A streptococci and their ability to bind Pg. It has been previously demonstrated that a 30-residue internal peptide (VEK-30) from the N-terminal region of PAM competitively inhibits binding of the full-length parent protein to Pg. We have attempted to determine the effects of this ligand-protein interaction on the regulation of Pg zymogen activation and conformation. Our results show minimal effects on the sedimentation velocity coefficients (S°20,w) of Pg when associated to VEK-30 and a direct relationship between the concentration of VEK-30 or PAM and the activation rate of Pg. These results are in contrast with the major conformational changes elicited by small-molecule activators of Pg, and point towards a novel mechanism of Pg activation that may underlie group A streptococcal (GAS) virulence. PMID:20152941

  16. Kinetics of Peridotite and Pyroxenite-derived Melts Interaction: Implications for the Style and Extent of Melt-rock Reaction in the Mantle

    NASA Astrophysics Data System (ADS)

    Lo Cascio, M.; Liang, Y.

    2006-12-01

    Distinct geochemical and petrologic features of ocean floor basalts and mantle peridotites suggest that the upper mantle is lithologically heterogeneous, consisting predominantly of peridotite and a small amount of eclogite [1]. An important issue of this marble cake mantle, is the nature of the peridotite and pyroxenite interface during mantle melting. It has been suggested that during mantle melting eclogite and peridotite develop a reactive boundary layer composed of a second generation eclogite and a layer of orthopyroxenite [2]. The existence of such a boundary layer has also been used to explain the observation that oceanic basalts are extracted with only limited interaction with the surrounding peridotite [3]. In spite of recent progresses, the kinetics of peridotite and pyroxenite-derived melts reaction is still not well understood. It is likely that there are two regimes of peridotite-pyroxenite melt interaction: a high T/low P regime where both the peridotite and pyroxenite are partially molten; and a low T/high P regime where only pyroxenite is partially molten. In this study we explored the kinetics of such interactions in both regimes by conducting lherzolite dissolution experiments using a pyroxenite-derived melt at 1300°C and 1-2 GPa. Dissolution couples were formed by juxtaposing pre-synthesized rods of a basaltic andesite (54.6% SiO2, Mg# 0.42), whose composition is similar to pyroxenite derived liquid at 1300°C and 2 GPa [1,4], and a lherzolite (ol+opx+cpx) in a Pt and graphite lined Mo capsule. The lherzolite solidus is below 1300°C at 1 GPa [5], but above 1300°C at 2 GPa. Lherzolite hardly dissolves (~35 ?m in 6 hours) into the melt at 2 GPa and a thin opx layer (<10 ?m thick) decorated with a few garnet crystals is observed at the lherzolite-melt interface. From the concentration profiles of Al2O3 and MgO in the melt, we estimated the effective binary diffusion coefficient at 10^{-12}m2/s. Assuming an average mantle upwelling rate of ~50 mm/yr and peridotite solidus located ~50 km above that of the pyroxenite [5], it can be shown that partially molten pyroxenite veins that are less than 1 m wide are likely to be homogenized with the surrounding mantle before reaching the lherzolite solidus. Therefore, only pyroxenite veins on the order of a 1 m or more will remain isolate from the surrounding. When the solidus of lherzolite is crossed, a reactive boundary layer made of pyroxene and/or olivine develops and the style of peridotite-pyroxenite interaction changes from dissolution and assimilation to porous flow dominated melt-rock reaction. The latter can potentially spread the pyroxenite signature to a much large volume. Result of this study will have important implications for the size and distribution of heterogeneities in the mantle. [1] Petermann and Hirschmann, 2003, J. Pet., 44, doi: 10.1093/petrology/egg074; [2] Yaxley and Green, 1998, Schweiz. Mineral. Petrogr. Mitt., 78; [3] Hauri and Kurz, 1997, EPSL, 153; [4] Takahashi and Nakajima, 2002, Geoph. Mon. 128; [5] Morgan and Liang, 2005, CMP, 150, doi: 10.1007/s00410-005-0033-8; [6] Petermann and Hirschmann, 2003, JGR., 108, doi: 10.1029/2000JB000118.

  17. Transposase-Derived Proteins FHY3/FAR1 Interact with PHYTOCHROME-INTERACTING FACTOR1 to Regulate Chlorophyll Biosynthesis by Modulating HEMB1 during Deetiolation in Arabidopsis[W

    PubMed Central

    Tang, Weijiang; Wang, Wanqing; Chen, Dongqin; Ji, Qiang; Jing, Yanjun; Wang, Haiyang; Lin, Rongcheng

    2012-01-01

    Successful chlorophyll biosynthesis during initial light exposure is critical for plant survival and growth, as excess accumulation of chlorophyll precursors in darkness can cause photooxidative damage to cells. Therefore, efficient mechanisms have evolved to precisely regulate chlorophyll biosynthesis in plants. Here, we identify FAR-RED ELONGATED HYPOCOTYL3 (FHY3) and FAR-RED IMPAIRED RESPONSE1 (FAR1), two transposase-derived transcription factors, as positive regulators of chlorophyll biosynthesis in Arabidopsis thaliana. We show that null mutations in FHY3 and FAR1 cause reduced protochlorophyllide (a precursor of chlorophyll) levels in darkness and less photobleaching in the light. We find that FHY3 directly binds to the promoter and activates expression of HEMB1, which encodes 5-aminolevulinic acid dehydratase in the chlorophyll biosynthetic pathway. We reveal that PHYTOCHROME-INTERACTING FACTOR1 physically interacts with the DNA binding domain of FHY3, thereby partly repressing FHY3/FAR1-activated HEMB1 expression. Strikingly, FHY3 expression is upregulated by white light. In addition, our genetic data indicate that overexpression, severe reduction, or lack of HEMB1 impairs plant growth and development. Together, our findings reveal a crucial role of FHY3/FAR1 in regulating chlorophyll biosynthesis, thus uncovering a new layer of regulation by which light promotes plant dark–light transition in early seedling development. PMID:22634759

  18. Derivative Estimation. ` 2 IR : Continuous parameter.

    E-print Network

    L'Ecuyer, Pierre

    1988 and L'Ecuyer 1990). From ``generalized'' mean value theorem (Dieudonn'e (1969)), if ` 0 and ` 0(!)dP (!) ! 1. THEOREM 1. (a) Under A1(1), ff(`) is differentiable at every ` 2 \\Upsilon and E[h 0 (`; !)] = ff space. ! 2\\Omega : Sample point (random element). h(`; !) : Value of objective function (\\Sigma

  19. Local angular momentum-local impact parameter analysis: Derivation and properties of the fundamental identity, with applications to the F +H2, H +D2, and Cl +HCl chemical reactions

    NASA Astrophysics Data System (ADS)

    Monks, P. D. D.; Xiahou, Chengkui; Connor, J. N. L.

    2006-10-01

    The technique of local angular momentum-local impact parameter (LAM-LIP) analysis has recently been shown to provide valuable dynamical information on the angular scattering of chemical reactions under semiclassical conditions. The LAM-LIP technique exploits a nearside-farside (NF) decomposition of the scattering amplitude, which is assumed to be a Legendre partial wave series. In this paper, we derive the "fundamental NF LAM identity," which relates the full LAM to the NF LAMs (there is a similar identity for the LIP case). Two derivations are presented. The first uses complex variable techniques, while the second exploits an analogy between the motion of the scattering amplitude in the Argand plane with changing angle and the classical mechanical motion of a particle in a plane with changing time. Alternative forms of the fundamental LAM-LIP identity are described, one of which gives rise to a CLAM-CLIP plot, where CLAM denotes (Crosssection)×LAM and CLIP denotes (Crosssection)×LIP. Applications of the NF LAM theory, together with CLAM plots, are reported for state-to-state transitions of the benchmark reactions F +H2?FH+H, H +D2?HD+D, and Cl +HCl?ClH+Cl, using as input both numerical and parametrized scattering matrix elements. We use the fundamental LAM identity to explain the important empirical observation that a NF cross section analysis and a NF LAM analysis provide consistent (and complementary) information on the dynamics of chemical reactions.

  20. Interaction Effects of Light, Temperature and Nutrient Limitations (N, P and Si) on Growth, Stoichiometry and Photosynthetic Parameters of the Cold-Water Diatom Chaetoceros wighamii

    PubMed Central

    Spilling, Kristian; Ylöstalo, Pasi; Simis, Stefan; Seppälä, Jukka

    2015-01-01

    Light (20-450 ?mol photons m-2 s-1), temperature (3-11°C) and inorganic nutrient composition (nutrient replete and N, P and Si limitation) were manipulated to study their combined influence on growth, stoichiometry (C:N:P:Chl a) and primary production of the cold water diatom Chaetoceros wighamii. During exponential growth, the maximum growth rate (~0.8 d-1) was observed at high temperture and light; at 3°C the growth rate was ~30% lower under similar light conditions. The interaction effect of light and temperature were clearly visible from growth and cellular stoichiometry. The average C:N:P molar ratio was 80:13:1 during exponential growth, but the range, due to different light acclimation, was widest at the lowest temperature, reaching very low C:P (~50) and N:P ratios (~8) at low light and temperature. The C:Chl a ratio had also a wider range at the lowest temperature during exponential growth, ranging 16-48 (weight ratio) at 3°C compared with 17-33 at 11°C. During exponential growth, there was no clear trend in the Chl a normalized, initial slope (?*) of the photosynthesis-irradiance (PE) curve, but the maximum photosynthetic production (Pm) was highest for cultures acclimated to the highest light and temperature. During the stationary growth phase, the stoichiometric relationship depended on the limiting nutrient, but with generally increasing C:N:P ratio. The average photosynthetic quotient (PQ) during exponential growth was 1.26 but decreased to <1 under nutrient and light limitation, probably due to photorespiration. The results clearly demonstrate that there are interaction effects between light, temperature and nutrient limitation, and the data suggests greater variability of key parameters at low temperature. Understanding these dynamics will be important for improving models of aquatic primary production and biogeochemical cycles in a warming climate. PMID:25993327

  1. Genetic parameters and genotype-environment interactions for skeleton deformities and growth traits at different ages on gilthead seabream (Sparus aurata L.) in four Spanish regions.

    PubMed

    Lee-Montero, I; Navarro, A; Negrín-Báez, D; Zamorano, M J; Berbel, C; Sánchez, J A; García-Celdran, M; Manchado, M; Estévez, A; Armero, E; Afonso, J M

    2015-04-01

    One of the most important problems of fish aquaculture is the high incidence of fish deformities, which are mainly skeletal. In this study, genetic parameters on gilthead seabream (Sparus aurata L.) for skeleton deformities at different ages (179, 269, 389, 539 and 689 days) and their correlations with growth traits were estimated, as were as their genotype × environment interactions (G × E) at harvesting age. A total of 4093 offspring from the mass spawning of three industrial broodstocks belonging to the PROGENSA(®) breeding programme were mixed and on-grown by different production systems in four Spanish regions: Canary Islands (tanks and cage), Andalusia (estuary), Catalonia (cage) and Murcia (cage). Parental assignment was inferred using the standardized SMsa1 microsatellite multiplex PCR. From three broodstocks, 139 breeders contributed to the spawn and a total of 297 full-sibling families (52 paternal and 53 maternal half-sibling families) were represented. Heritabilities at different ages were medium for growth traits (0.16-0.48) and vertebral deformities (0.16-0.41), and low for any type of deformity (0.07-0.26), head deformities (0.00-0.05) and lack of operculum (0.06-0.11). The genetic correlations between growth and deformity traits were medium and positive, suggesting that to avoid increasing deformities they should be taken into account in breeding programmes when growth is selected. The G × E interactions among the different facilities were weak for length and deformity and strong for growth rate during this period. These results highlight the potential for the gilthead seabream industry to reduce the prevalence of deformities by genetic improvement tools. PMID:25662001

  2. Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method.

    PubMed

    Deichmann, Gregor; Marcon, Valentina; van der Vegt, Nico F A

    2014-12-14

    Molecular simulations of soft matter systems have been performed in recent years using a variety of systematically coarse-grained models. With these models, structural or thermodynamic properties can be quite accurately represented while the prediction of dynamic properties remains difficult, especially for multi-component systems. In this work, we use constraint molecular dynamics simulations for calculating dissipative pair forces which are used together with conditional reversible work (CRW) conservative forces in dissipative particle dynamics (DPD) simulations. The combined CRW-DPD approach aims to extend the representability of CRW models to dynamic properties and uses a bottom-up approach. Dissipative pair forces are derived from fluctuations of the direct atomistic forces between mapped groups. The conservative CRW potential is obtained from a similar series of constraint dynamics simulations and represents the reversible work performed to couple the direct atomistic interactions between the mapped atom groups. Neopentane, tetrachloromethane, cyclohexane, and n-hexane have been considered as model systems. These molecular liquids are simulated with atomistic molecular dynamics, coarse-grained molecular dynamics, and DPD. We find that the CRW-DPD models reproduce the liquid structure and diffusive dynamics of the liquid systems in reasonable agreement with the atomistic models when using single-site mapping schemes with beads containing five or six heavy atoms. For a two-site representation of n-hexane (3 carbons per bead), time scale separation can no longer be assumed and the DPD approach consequently fails to reproduce the atomistic dynamics. PMID:25494734

  3. Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method

    NASA Astrophysics Data System (ADS)

    Deichmann, Gregor; Marcon, Valentina; van der Vegt, Nico F. A.

    2014-12-01

    Molecular simulations of soft matter systems have been performed in recent years using a variety of systematically coarse-grained models. With these models, structural or thermodynamic properties can be quite accurately represented while the prediction of dynamic properties remains difficult, especially for multi-component systems. In this work, we use constraint molecular dynamics simulations for calculating dissipative pair forces which are used together with conditional reversible work (CRW) conservative forces in dissipative particle dynamics (DPD) simulations. The combined CRW-DPD approach aims to extend the representability of CRW models to dynamic properties and uses a bottom-up approach. Dissipative pair forces are derived from fluctuations of the direct atomistic forces between mapped groups. The conservative CRW potential is obtained from a similar series of constraint dynamics simulations and represents the reversible work performed to couple the direct atomistic interactions between the mapped atom groups. Neopentane, tetrachloromethane, cyclohexane, and n-hexane have been considered as model systems. These molecular liquids are simulated with atomistic molecular dynamics, coarse-grained molecular dynamics, and DPD. We find that the CRW-DPD models reproduce the liquid structure and diffusive dynamics of the liquid systems in reasonable agreement with the atomistic models when using single-site mapping schemes with beads containing five or six heavy atoms. For a two-site representation of n-hexane (3 carbons per bead), time scale separation can no longer be assumed and the DPD approach consequently fails to reproduce the atomistic dynamics.

  4. Molecular aspects of the antagonistic interaction of smoke-derived butenolides on the germination process of Grand Rapids lettuce (Lactuca sativa) achenes.

    PubMed

    Soós, Vilmos; Sebestyén, Endre; Posta, Martin; Kohout, Ladislav; Light, Marnie E; Van Staden, Johannes; Balázs, Ervin

    2012-12-01

    Smoke-derived compounds provide a strong chemical signal to seeds in the soil seed bank, allowing them to take advantage of the germination niche created by the occurrence of fire. The germination stimulatory activity of smoke can largely be attributed to karrikinolide (KAR(1) ), while a related compound, trimethylbutenolide (TMB), has been shown to have an inhibitory effect on germination. The aim of this study was to characterize the interaction of these potent fire-generated compounds. Dose-response analysis, leaching tests and a detailed transcriptome study were performed using highly KAR(1) -sensitive lettuce (Lactuca sativa cv 'Grand Rapids') achenes. Dose-response analysis demonstrated that the compounds are not competitors and TMB modulates germination in a concentration-dependent manner. The transcriptome analysis revealed a contrasting expression pattern induced by the compounds. KAR(1) suppressed, while TMB up-regulated ABA, seed maturation and dormancy-related transcripts. The effect of TMB was reversed by leaching the compound, while the KAR(1) effect was only reversible by leaching within the first 2 h of KAR(1) treatment. Our findings suggest that the compounds may act in concert for germination-related signaling. After the occurrence of fire, sufficient rainfall would contribute to post-germination seedling recruitment by reducing the concentration of the inhibitory compound. PMID:23046112

  5. Sulfated Escherichia coli K5 Polysaccharide Derivatives Inhibit Dengue Virus Infection of Human Microvascular Endothelial Cells by Interacting with the Viral Envelope Protein E Domain III

    PubMed Central

    Vervaeke, Peter; Alen, Marijke; Noppen, Sam; Schols, Dominique; Oreste, Pasqua; Liekens, Sandra

    2013-01-01

    Dengue virus (DENV) is an emerging mosquito-borne pathogen that causes cytokine-mediated alterations in the barrier function of the microvascular endothelium, leading to dengue hemorrhagic fever (DHF) and dengue shock syndrome (DSS). We observed that DENV (serotype 2) productively infects primary (HMVEC-d) and immortalized (HMEC-1) human dermal microvascular endothelial cells, despite the absence of well-described DENV receptors, such as dendritic cell-specific intercellular adhesion molecule-3-grabbing non-integrin (DC-SIGN) or the mannose receptor on the cell surface. However, heparan sulfate proteoglycans (HSPGs) were highly expressed on these cells and pre-treatment of HMEC-1 cells with heparinase II or with glycosaminoglycans reduced DENV infectivity up to 90%, suggesting that DENV uses HSPGs as attachment receptor on microvascular endothelial cells. Sulfated Escherichia coli K5 derivatives, which are structurally similar to heparin/heparan sulfate but lack anticoagulant activity, were able to block DENV infection of HMEC-1 and HMVEC-d cells in the nanomolar range. The highly sulfated K5-OS(H) and K5-N,OS(H) inhibited virus attachment and subsequent entry into microvascular endothelial cells by interacting with the viral envelope (E) protein, as shown by surface plasmon resonance (SPR) analysis using the receptor-binding domain III of the E protein. PMID:24015314

  6. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water

    SciTech Connect

    Reif, Maria M.; Huenenberger, Philippe H. [Laboratory of Physical Chemistry, ETH Zuerich, CH-8093 Zuerich (Switzerland)

    2011-04-14

    The raw single-ion solvation free energies computed from atomistic (explicit-solvent) simulations are extremely sensitive to the boundary conditions and treatment of electrostatic interactions used during these simulations. However, as shown recently [M. A. Kastenholz and P. H. Huenenberger, J. Chem. Phys. 124, 224501 (2006); M. M. Reif and P. H. Huenenberger, J. Chem. Phys. 134, 144103 (2010)], the application of appropriate correction terms permits to obtain methodology-independent results. The corrected values are then exclusively characteristic of the underlying molecular model including in particular the ion-solvent van der Waals interaction parameters, determining the effective ion size and the magnitude of its dispersion interactions. In the present study, the comparison of calculated (corrected) hydration free energies with experimental data (along with the consideration of ionic polarizabilities) is used to calibrate new sets of ion-solvent van der Waals (Lennard-Jones) interaction parameters for the alkali (Li{sup +}, Na{sup +}, K{sup +}, Rb{sup +}, Cs{sup +}) and halide (F{sup -}, Cl{sup -}, Br{sup -}, I{sup -}) ions along with either the SPC or the SPC/E water models. The experimental dataset is defined by conventional single-ion hydration free energies [Tissandier et al., J. Phys. Chem. A 102, 7787 (1998); Fawcett, J. Phys. Chem. B 103, 11181] along with three plausible choices for the (experimentally elusive) value of the absolute (intrinsic) hydration free energy of the proton, namely, {Delta}G{sub hyd} {sup O-minus} [H{sup +}]=-1100, -1075 or -1050 kJ mol{sup -1}, resulting in three sets L, M, and H for the SPC water model and three sets L{sub E}, M{sub E}, and H{sub E} for the SPC/E water model (alternative sets can easily be interpolated to intermediate {Delta}G{sub hyd} {sup O-minus} [H{sup +}] values). The residual sensitivity of the calculated (corrected) hydration free energies on the volume-pressure boundary conditions and on the effective ionic radius entering into the calculation of the correction terms is also evaluated and found to be very limited. Ultimately, it is expected that comparison with other experimental ionic properties (e.g., derivative single-ion solvation properties, as well as data concerning ionic crystals, melts, solutions at finite concentrations, or nonaqueous solutions) will permit to validate one specific set and thus, the associated {Delta}G{sub hyd} {sup O-minus} [H{sup +}] value (atomistic consistency assumption). Preliminary results (first-peak positions in the ion-water radial distribution functions, partial molar volumes of ionic salts in water, and structural properties of ionic crystals) support a value of {Delta}G{sub hyd} {sup O-minus} [H{sup +}] close to -1100 kJ{center_dot}mol{sup -1}.

  7. Disruption of zinc and copper interactions with A?(1-40) by a non-toxic, isoniazid-derived, hydrazone: a novel biometal homeostasis restoring agent in Alzheimer's disease therapy?

    PubMed

    Hauser-Davis, R A; de Freitas, L V; Cukierman, D S; Cruz, W S; Miotto, M C; Landeira-Fernandez, J; Valiente-Gabioud, A A; Fernández, C O; Rey, N A

    2015-05-13

    Disruptions of biometal-A?(1-40) interactions by an isoniazid-derived hydrazone, INHHQ, were demonstrated via in vitro NMR titrations. The compound has adequate theoretical BBB absorption properties, assessed by in silico studies. In vivo acute toxicity assays indicate that INHHQ is innocuous up to 300 mg kg(-1), showing potential as an anti-Alzheimer's drug. PMID:25860559

  8. An in vitro co-infection model to study Plasmodium falciparum-HIV-1 interactions in human primary monocyte-derived immune cells.

    PubMed

    Andreani, Guadalupe; Gagnon, Dominic; Lodge, Robert; Tremblay, Michel J; Richard, Dave

    2012-01-01

    Plasmodium falciparum, the causative agent of the deadliest form of malaria, and human immunodeficiency virus type-1 (HIV-1) are among the most important health problems worldwide, being responsible for a total of 4 million deaths annually. Due to their extensive overlap in developing regions, especially Sub-Saharan Africa, co-infections with malaria and HIV-1 are common, but the interplay between the two diseases is poorly understood. Epidemiological reports have suggested that malarial infection transiently enhances HIV-1 replication and increases HIV-1 viral load in co-infected individuals. Because this viremia stays high for several weeks after treatment with antimalarials, this phenomenon could have an impact on disease progression and transmission. The cellular immunological mechanisms behind these observations have been studied only scarcely. The few in vitro studies investigating the impact of malaria on HIV-1 have demonstrated that exposure to soluble malarial antigens can increase HIV-1 infection and reactivation in immune cells. However, these studies used whole cell extracts of P. falciparum schizont stage parasites and peripheral blood mononuclear cells (PBMC), making it hard to decipher which malarial component(s) was responsible for the observed effects and what the target host cells were. Recent work has demonstrated that exposure of immature monocyte-derived dendritic cells to the malarial pigment hemozoin increased their ability to transfer HIV-1 to CD4+ T cells, but that it decreased HIV-1 infection of macrophages(8). To shed light on this complex process, a systematic analysis of the interactions between the malaria parasite and HIV-1 in different relevant human primary cell populations is critically needed. Several techniques for investigating the impact of HIV-1 on the phagocytosis of micro-organisms and the effect of such pathogens on HIV-1 replication have been described. We here present a method to investigate the effects of P. falciparum-infected erythrocytes on the replication of HIV-1 in human primary monocyte-derived macrophages. The impact of parasite exposure on HIV-1 transcriptional/translational events is monitored by using single cycle pseudotyped viruses in which a luciferase reporter gene has replaced the Env gene while the effect on the quantity of virus released by the infected macrophages is determined by measuring the HIV-1 capsid protein p24 by ELISA in cell supernatants. PMID:22929299

  9. An In vitro Co-infection Model to Study Plasmodium falciparum-HIV-1 Interactions in Human Primary Monocyte-derived Immune Cells

    PubMed Central

    Andreani, Guadalupe; Gagnon, Dominic; Lodge, Robert; Tremblay, Michel J.; Richard, Dave

    2012-01-01

    Plasmodium falciparum, the causative agent of the deadliest form of malaria, and human immunodeficiency virus type-1 (HIV-1) are among the most important health problems worldwide, being responsible for a total of 4 million deaths annually1. Due to their extensive overlap in developing regions, especially Sub-Saharan Africa, co-infections with malaria and HIV-1 are common, but the interplay between the two diseases is poorly understood. Epidemiological reports have suggested that malarial infection transiently enhances HIV-1 replication and increases HIV-1 viral load in co-infected individuals2,3. Because this viremia stays high for several weeks after treatment with antimalarials, this phenomenon could have an impact on disease progression and transmission. The cellular immunological mechanisms behind these observations have been studied only scarcely. The few in vitro studies investigating the impact of malaria on HIV-1 have demonstrated that exposure to soluble malarial antigens can increase HIV-1 infection and reactivation in immune cells. However, these studies used whole cell extracts of P. falciparum schizont stage parasites and peripheral blood mononuclear cells (PBMC), making it hard to decipher which malarial component(s) was responsible for the observed effects and what the target host cells were4,5. Recent work has demonstrated that exposure of immature monocyte-derived dendritic cells to the malarial pigment hemozoin increased their ability to transfer HIV-1 to CD4+ T cells6,7, but that it decreased HIV-1 infection of macrophages8. To shed light on this complex process, a systematic analysis of the interactions between the malaria parasite and HIV-1 in different relevant human primary cell populations is critically needed. Several techniques for investigating the impact of HIV-1 on the phagocytosis of micro-organisms and the effect of such pathogens on HIV-1 replication have been described. We here present a method to investigate the effects of P. falciparum-infected erythrocytes on the replication of HIV-1 in human primary monocyte-derived macrophages. The impact of parasite exposure on HIV-1 transcriptional/translational events is monitored by using single cycle pseudotyped viruses in which a luciferase reporter gene has replaced the Env gene while the effect on the quantity of virus released by the infected macrophages is determined by measuring the HIV-1 capsid protein p24 by ELISA in cell supernatants. PMID:22929299

  10. Derivatives Page

    NSDL National Science Digital Library

    Derivatives are financial securities whose value is derived from another "underlying" financial security. Options, futures, swaps, swaptions, and structured notes are all examples of derivative securities. Derivatives can be used in hedging, protecting against financial risk, or can be used to speculate on the movement of commodity or security prices, interest rates, or the levels of financial indices. The valuation of derivatives makes use of the statistical mathematics of uncertainty. With links to related articles. See also Derivatives Concepts A-Z, glossary of derivatives-related terminology designed to make the other articles in the Financial Pipeline's Derivatives section easier to understand.

  11. Characterization of coal- and petroleum-derived binder pitches and the interaction of pitch/coke mixtures in pre-baked carbon anodes

    NASA Astrophysics Data System (ADS)

    Suriyapraphadilok, Uthaiporn

    Carbon anodes are manufactured from calcined petroleum coke (i.e. sponge coke) and recycled anode butts as fillers, and coal tar pitch (SCTP) as the binder. During the manufacturing of carbon anodes, coal tar pitch is mixed with calcined petroleum coke. The mix of binder, filler and some additives is heated to about 50°C above the softening point of the pitch, typically 160°C. This temperature is sufficient to enable the pitch to wet the coke particles. The mix is then either extruded, vibrated, or pressed to form a green anode. The binding between coke and pitch is very important to the anode properties. There are different binder pitches used in this work, which were standard coal tar pitch (SCTP-2), petroleum pitch (PP-1), gasification pitch (GP-115), coal-extract pitch (WVU-5), and co-coking pitches (HTCCP and OXCCP). Petroleum pitch is a residue produced from heat-treatment and distillation of petroleum fractions. Production of coal-extract pitch involves a prehydrogenation of coal followed by extraction using a dipolar solvent. Gasification pitches are distilled by-product tars produced from the coal gasification process. Co-coking pitch was developed in this work and was obtained from the liquid distillate of co-coking process of coal and heavy petroleum residue. Understanding of composition and structures of pitches from different sources and processes would lead to greater understanding of the binding properties of pitch in carbon anodes and was one of the main focuses in this study. Characterization of pitches by using different techniques including gas chromatography/mass spectrometry (GC/MS), high performance liquid chromatography (HPLC), matrix-assisted laser desorption ionization/mass spectrometry (MALDI/MS), 1H and 13C solution-state nuclear magnetic resonance (NMR), and 13C solid-state NMR yield important chemistry and structural information. The binding, or in other words the interactions in the pitch/coke mixture, is another interest in this study. Pitch itself is a very complex material. Studying the binding between pitch and the porous coke even adds another level of complexity to this subject. The high-temperature 1H NMR has been shown to be a promising technique to study the molecular interaction between different materials. The fraction of the mobile protons in the sample and their mobility as measured by the spin-spin relaxation time ( T*2 ), which is inversely proportional to the peak width at half maximum height (DeltaH1/2), seem to have a potential to probe the extent of the interaction between pitch and coke. Understanding of the interaction between coke and some simple compounds which are commonly found in pitch, i.e. model compounds, should help identify the binding efficiency between pitch and coke. The knowledge of (1) pitch chemistry and structure, (2) interaction between model compounds and filler cokes would lead to an understanding of the binding efficiency between pitch and coke. The mass distribution by MALDI analysis showed that the majority of the compounds in these pitches is in the range of 200-700 Da. The hexane-soluble (HS) fractions of all of the pitch samples in this study mainly consist of four-ring polycyclic aromatic compounds (PACs) as observed by GC/MS and Pyrolysis-GC/MS techniques. Coal-derived pitches contained mainly cata- and peri-condensed PACs and a few alkyl- and heteroatomic-substituted PACs, whereas those peteroleum-derived pitches consisted of a number of alkyl-substituted PACs with high sulfur substitution. Solid-state NMR results show that SCTP-2 and PP-1 contain six and five fused rings on average, respectively, whereas GP-115 and WVU-5 contain two and three fused rings on average, respectively. The latter two pitches contained mostly methyl substituents with a few ethyls. WVU-5 contains a higher degree of naphthenic substituents as compared to other pitches as confirmed by the GC/MS analysis. HTCCP and OXCCP contained three peri-condensed fused rings on average per molecule. 1H in-situ high temperature NMR and the solid echo pulse program were employed t

  12. Probing the Interaction Forces of Prostate Cancer Cells with Collagen I and Bone Marrow Derived Stem Cells on the Single Cell Level

    PubMed Central

    Sariisik, Ediz; Docheva, Denitsa; Padula, Daniela; Popov, Cvetan; Opfer, Jan; Schieker, Matthias; Clausen-Schaumann, Hauke; Benoit, Martin

    2013-01-01

    Adhesion of metastasizing prostate carcinoma cells was quantified for two carcinoma model cell lines LNCaP (lymph node-specific) and PC3 (bone marrow-specific). By time-lapse microscopy and force spectroscopy we found PC3 cells to preferentially adhere to bone marrow-derived mesenchymal stem cells (SCP1 cell line). Using atomic force microscopy (AFM) based force spectroscopy, the mechanical pattern of the adhesion to SCP1 cells was characterized for both prostate cancer cell lines and compared to a substrate consisting of pure collagen type I. PC3 cells dissipated more energy (27.6 aJ) during the forced de-adhesion AFM experiments and showed significantly more adhesive and stronger bonds compared to LNCaP cells (20.1 aJ). The characteristic signatures of the detachment force traces revealed that, in contrast to the LNCaP cells, PC3 cells seem to utilize their filopodia in addition to establish adhesive bonds. Taken together, our study clearly demonstrates that PC3 cells have a superior adhesive affinity to bone marrow mesenchymal stem cells, compared to LNCaP. Semi-quantitative PCR on both prostate carcinoma cell lines revealed the expression of two Col-I binding integrin receptors, ?1?1 and ?2?1 in PC3 cells, suggesting their possible involvement in the specific interaction to the substrates. Further understanding of the exact mechanisms behind this phenomenon might lead to optimized therapeutic applications targeting the metastatic behavior of certain prostate cancer cells towards bone tissue. PMID:23472100

  13. Interactive Effects of Climate Change and Decomposer Communities on the Stabilization of Wood-Derived Carbon Pools: Catalyst for a New Study

    SciTech Connect

    Resh, Sigrid C. [Michigan Technological University

    2014-11-17

    Globally, forest soils store ~two-thirds as much carbon (C) as the atmosphere. Although wood makes up the majority of forest biomass, the importance of wood contributions to soil C pools is unknown. Even with recent advances in the mechanistic understanding of soil processes, integrative studies tracing C input pathways and biological fluxes within and from soils are lacking. Therefore, our research objectives were to assess the impact of different fungal decay pathways (i.e., white-rot versus brown-rot)—in interaction with wood quality, soil temperature, wood location (i.e., soil surface and buried in mineral soil), and soil texture—on the transformation of woody material into soil CO2 efflux, dissolved organic carbon (DOC), and soil C pools. The use of 13C-depleted woody biomass harvested from the Rhinelander, WI free-air carbon dioxide enrichment (Aspen-FACE) experiment affords the unique opportunity to distinguish the wood-derived C from other soil C fluxes and pools. We established 168 treatment plots across six field sites (three sand and three loam textured soil). Treatment plots consisted of full-factorial design with the following treatments: 1. Wood chips from elevated CO2, elevated CO2 + O3, or ambient atmosphere AspenFACE treatments; 2. Inoculated with white rot (Bjerkandera adusta) or brown rot (Gloeophyllum sepiarium) pure fungal cultures, or the original suite of endemic microbial community on the logs; and 3. Buried (15cm in soil as a proxy for coarse roots) or surface applied wood chips. We also created a warming treatment using open-topped, passive warming chambers on a subset of the above treatments. Control plots with no added wood (“no chip control”) were incorporated into the research design. Soils were sampled for initial ?13C values, CN concentrations, and bulk density. A subset of plots were instrumented with lysimeters for sampling soil water and temperature data loggers for measuring soil temperatures. To determine the early pathways of decomposition, we measured soil surface CO2 efflux, dissolved organic C (DOC), and DO13C approximately monthly over two growing seasons from a subsample of the research plots. To determine the portion of soil surface CO2 efflux attributable to wood-derived C, we used Keeling plot techniques to estimate the associated ?13C values of the soil CO2 efflux. We measured the ?13CO2 once during the peak of each growing season. Initial values for soil ?13C values and CN concentrations averaged across the six sites were -26.8‰ (standard error = 0.04), 2.46% (se = 0.11), and 0.15% (se = 0.01), respectively. The labeled wood chips from the Aspen FACE treatments had an average ?13C value of -39.5‰ (se 0.10). The >12 ‰ isotopic difference between the soil and wood chip ?13C values provides the basis for tracking the wood-derived C through the early stages of decomposition and subsequent storage in the soil. Across our six research sites, average soil surface CO2 efflux ranged from 1.04 to 2.00 g CO2 m-2 h-1 for the first two growing seasons. No wood chip controls had an average soil surface CO2 efflux of 0.67 g CO2 m-2 h-1 or about half of that of the wood chip treatment plots. Wood-derived CO2 efflux was higher for loam textured soils relative to sands (0.70 and 0.54 g CO2 m-2 h-1, respectively; p = 0.045)), for surface relative to buried wood chip treatments (0.92 and 0.39 g CO2 m-2 h-1, respectively; p < 0.001), for warmed relative to ambient temperature treatments (0.99 and 0.78 g CO2 m-2 h-1, respectively; 0.004), and for natural rot relative to brown and white rots (0.93, 0.82, and 0.78 g CO2 m-2 h-1, respectively; p = 0.068). Our first two growing seasons of soil surface CO2 efflux data show that wood chip location (i.e., surface vs. buried chip application) is very important, with surface chips loosing twice the wood-derived CO2. The DOC data support this trend for greater loss of ecosystem C from surface chips. This has strong implications for the importance of root and buried wood for ecosystem C retention. This strong chip location effect

  14. A fiber-modified adenoviral vector interacts with immunoevasion molecules of the B7 family at the surface of murine leukemia cells derived from dormant tumors.

    PubMed

    Grellier, Elodie; Lécolle, Katia; Rogée, Sophie; Couturier, Cyril; D'Halluin, Jean-Claude; Hong, Saw-See; Fender, Pascal; Boulanger, Pierre; Quesnel, Bruno; Colin, Morvane

    2011-01-01

    Tumor cells can escape the immune system by overexpressing molecules of the B7 family, e.g. B7-H1 (PD-L1 or CD86), which suppresses the anti-tumor T-cell responses through binding to the PD-1 receptor, and similarly for B7.1 (CD80), through binding to CTLA-4. Moreover, direct interactions between B7-H1 and B7.1 molecules are also likely to participate in the immunoevasion mechanism. In this study, we used a mouse model of tumor dormancy, DA1-3b leukemia cells. We previously showed that a minor population of DA1-3b cells persists in equilibrium with the immune system for long periods of time, and that the levels of surface expression of B7-H1 and B7.1 molecules correlates with the dormancy time. We found that leukemia cells DA1-3b/d365 cells, which derived from long-term dormant tumors and overexpressed B7-H1 and B7.1 molecules, were highly permissive to Ad5FB4, a human adenovirus serotype 5 (Ad5) vector pseudotyped with chimeric human-bovine fibers. Both B7-H1 and B7.1 were required for Ad5FB4-cell binding and entry, since (i) siRNA silencing of one or the other B7 gene transcript resulted in a net decrease in the cell binding and Ad5FB4-mediated transduction of DA1-3b/d365; and (ii) plasmid-directed expression of B7.1 and B7-H1 proteins conferred to Ad5FB4-refractory human cells a full permissiveness to this vector. Binding data and flow cytometry analysis suggested that B7.1 and B7-H1 molecules played different roles in Ad5FB4-mediated transduction of DA1-3b/d365, with B7.1 involved in cell attachment of Ad5FB4, and B7-H1 in Ad5FB4 internalization. BRET analysis showed that B7.1 and B7-H1 formed heterodimeric complexes at the cell surface, and that Ad5FB4 penton, the viral capsomere carrying the fiber projection, could negatively interfere with the formation of B7.1/B7-H1 heterodimers, or modify their conformation. As interactors of B7-H1/B7.1 molecules, Ad5FB4 particles and/or their penton capsomeres represent potential therapeutic agents targeting cancer cells that had developed immunoevasion mechanisms. PMID:21884581

  15. Agent-based dynamic knowledge representation of Pseudomonas aeruginosa virulence activation in the stressed gut: Towards characterizing host-pathogen interactions in gut-derived sepsis

    PubMed Central

    2011-01-01

    Background There is a growing realization that alterations in host-pathogen interactions (HPI) can generate disease phenotypes without pathogen invasion. The gut represents a prime region where such HPI can arise and manifest. Under normal conditions intestinal microbial communities maintain a stable, mutually beneficial ecosystem. However, host stress can lead to changes in environmental conditions that shift the nature of the host-microbe dialogue, resulting in escalation of virulence expression, immune activation and ultimately systemic disease. Effective modulation of these dynamics requires the ability to characterize the complexity of the HPI, and dynamic computational modeling can aid in this task. Agent-based modeling is a computational method that is suited to representing spatially diverse, dynamical systems. We propose that dynamic knowledge representation of gut HPI with agent-based modeling will aid in the investigation of the pathogenesis of gut-derived sepsis. Methodology/Principal Findings An agent-based model (ABM) of virulence regulation in Pseudomonas aeruginosa was developed by translating bacterial and host cell sense-and-response mechanisms into behavioral rules for computational agents and integrated into a virtual environment representing the host-microbe interface in the gut. The resulting gut milieu ABM (GMABM) was used to: 1) investigate a potential clinically relevant laboratory experimental condition not yet developed - i.e. non-lethal transient segmental intestinal ischemia, 2) examine the sufficiency of existing hypotheses to explain experimental data - i.e. lethality in a model of major surgical insult and stress, and 3) produce behavior to potentially guide future experimental design - i.e. suggested sample points for a potential laboratory model of non-lethal transient intestinal ischemia. Furthermore, hypotheses were generated to explain certain discrepancies between the behaviors of the GMABM and biological experiments, and new investigatory avenues proposed to test those hypotheses. Conclusions/Significance Agent-based modeling can account for the spatio-temporal dynamics of an HPI, and, even when carried out with a relatively high degree of abstraction, can be useful in the investigation of system-level consequences of putative mechanisms operating at the individual agent level. We suggest that an integrated and iterative heuristic relationship between computational modeling and more traditional laboratory and clinical investigations, with a focus on identifying useful and sufficient degrees of abstraction, will enhance the efficiency and translational productivity of biomedical research. PMID:21929759

  16. Composition of the Southeast Mariana Forearc Rift pillow lavas : interaction between adiabatic decompression mantle melting and ultra-shallow slab-derived fluids

    NASA Astrophysics Data System (ADS)

    Ribeiro, J. M.; Stern, R. J.; Kelley, K. A.; Ishizuka, O.; Ren, M.; Ohara, Y.; Reagan, M. K.; Bloomer, S.; Anthony, E.

    2009-12-01

    The Mariana intraoceanic arc system is related to the subduction of the Pacific plate beneath the Philippine Sea plate. A northward-propagating forearc rift extending from the southernmost backarc basin spreading ridge to the trench, called the SE Mariana Forearc Rift (SEMFR), has been inferred by regional HMR-1 bathymetric and backscatter mapping south of Guam (see Martinez & Stern abstract). SEMFR formed by lateral stretching as a result of slab rollback and collision of the Caroline ridge with the IBM arc. This forearc rift provides an unusual opportunity to study melts generated very shallow (~ 40 km deep) above a subduction zone. Forearc rifts are extensional zones occurring in subduction settings providing the opportunity to sample rocks produced by adiabatic asthenosphere decompression and fluid-metasomatized mantle melting. During YK08-08 in July 2008, manned submersible Shinkai 6500 Dive 1096 dived in SEMFR and sampled a 663 m thick section of fresh tholeiitic pillow lavas. These lavas are composed of upper primitive basalts (Mg# = 61 - 67) and lower basaltic andesites (Mg# = 49 - 51). The upper series phenocrysts are olivine (Fo85-87), diopside, and plagioclase (An80-83) with scattered olivine xenocrysts (3 mm, Fo92) hosting Cr-spinel (Cr# = 68 - 69). Lower series lavas contain phenocrysts of olivine (Fo76-79), augite and two plagioclases (An66-71 and An80-86), perhaps indicating magma mixing. Flat REE patterns, and high Mg# ( > 60) of the upper basalts indicate generation by fractional melting of spinel peridotite. LA-ICP-MS analysis show that lower series clinopyroxenes formed in equilibrium with more REE-enriched melts than their host rock, also supporting an interpretation of magma mixing. Discrimination diagrams using Th-Ba-Nb-Yb systematics (Pearce, 2008, Lithos, v. 100; Pearce and Stern, 2006, Geophysical Monograph Series 166, AGU) show that both series lavas have composition similar to that of Mariana backarc basin but with higher Ba/Nb content, involving forearc rifting or spreading where the mantle source interacted with a shallow subduction component. Thus, SEMFR pillow lavas were produced by adiabatic decompression melting of forearc mantle that was metasomatized by very shallow slab-derived fluids and magma mixing.

  17. Surface Delta Interaction in Deformed Nuclei

    Microsoft Academic Search

    Amand Faessler; A. Plastino; S. A. Moszkowski

    1967-01-01

    The surface delta interaction (SDI) is applied to deformed nuclei. It is shown that the relations among the matrix elements of the SDI derived for spherical nuclei are also valid in the deformed case. The parameter of the SDI can be fixed by the odd-even mass differences or it can be calculated utilizing a self-consistency argument for the density and

  18. Interaction of benzopyranone derivatives and related compounds with human concentrative nucleoside transporters 1, 2 and 3 heterologously expressed in porcine PK15 nucleoside transporter deficient cells. Structure–activity relationships and determinants of transporter affinity and selectivity

    Microsoft Academic Search

    Chunmei Wang; Surekha Pimple; John K. Buolamwini

    2010-01-01

    Unlike the major equilibrative nucleoside transporters, there is a dearth of potent specific inhibitors of concentrative nucleoside transporters (CNTs). We investigated the interaction of benzopyranone derivatives and related compounds with human (h) CNTs in newly established PK15NTD transfectant cells stably expressing hCNT1 or hCNT2, and previously established PK15NTD\\/hCNT3 cells. Flavones exhibited the highest inhibitory activity against hCNT2 and hCNT3, whereas

  19. Neural stem cells induce bone-marrow-derived mesenchymal stem cells to generate neural stem-like cells via juxtacrine and paracrine interactions

    Microsoft Academic Search

    Arshak R. Alexanian

    2005-01-01

    Several recent reports suggest that there is far more plasticity that previously believed in the developmental potential of bone-marrow-derived cells (BMCs) that can be induced by extracellular developmental signals of other lineages whose nature is still largely unknown. In this study, we demonstrate that bone-marrow-derived mesenchymal stem cells (MSCs) co-cultured with mouse proliferating or fixed (by paraformaldehyde or methanol) neural

  20. Revised AMBER parameters for bioorganic phosphates

    PubMed Central

    Steinbrecher, T.; Latzer, J.; Case, D. A.

    2012-01-01

    We report AMBER force field parameters for biological simulations involving phosphorylation of serine, threonine or tyrosine. The initial parameters used RESP fitting for the atomic partial charges and standard values for all other parameters such as Lennard-Jones coefficients. These were refined with the aid of a thermodynamic cycle consisting of experimentally determined pKa values, solvation energies from molecular dynamics free energy simulations, and gas phase basicities from QM calculations. A polarization energy term was included to account for the charge density change between the gas-phase and solution, and solvation free energies were determined using thermodynamic integration. Parameter adjustment is required to obtain consistent thermodynamic results with better balanced electrostatic interactions between water and the phosphate oxygens. To achieve this we modified the phosphate oxygen radii. A thermodynamically consistent parameter set can be derived for monoanions and requires an increase of the van der Waals phosphate oxygen radii of approximately 0.09 Å. Larger, residue-specific radii appear to be needed for dianions. The revised parameters developed here should be of particular interest for environments where simulations of multiple protonation states may be of interest. PMID:23264757

  1. New tools derived from the solvatochromic 4-N,N-dimethylamino-1,8-naphthalimide fluorophore for the detection of biomolecular interactions

    E-print Network

    Loving, Galen

    2009-01-01

    The concept that complex cellular behavior is driven by an intricate network of biomolecular interactions, which emerged through billions of years of evolution, is one of the great wonders of nature. Living cells must ...

  2. Interaction of a peptide derived from C-terminus of human TRPA1 channel with model membranes mimicking the inner leaflet of the plasma membrane.

    PubMed

    Witschas, Katja; Jobin, Marie-Lise; Korkut, Dursun Nizam; Vladan, Maria Magdalena; Salgado, Gilmar; Lecomte, Sophie; Vlachova, Viktorie; Alves, Isabel D

    2015-05-01

    The transient receptor potential ankyrin 1 channel (TRPA1) belongs to the TRP cation channel superfamily that responds to a panoply of stimuli such as changes in temperature, calcium levels, reactive oxygen and nitrogen species and lipid mediators among others. The TRP superfamily has been implicated in diverse pathological states including neurodegenerative disorders, kidney diseases, inflammation, pain and cancer. The intracellular C-terminus is an important regulator of TRP channel activity. Studies with this and other TRP superfamily members have shown that the C-terminus association with lipid bilayer alters channel sensitivity and activation, especially interactions occurring through basic residues. Nevertheless, it is not yet clear how this process takes place and which regions in the C-terminus would be responsible for such membrane recognition. With that in mind, herein the first putative membrane interacting region of the C-terminus of human TRPA1, (corresponding to a 29 residue peptide, IAEVQKHASLKRIAMQVELHTSLEKKLPL) named H1 due to its potential helical character was chosen for studies of membrane interaction. The affinity of H1 to lipid membranes, H1 structural changes occurring upon this interaction as well as effects of this interaction in lipid organization and integrity were investigated using a biophysical approach. Lipid models systems composed of zwitterionic and anionic lipids, namely those present in the lipid membrane inner leaflet, where H1 is prone to interact, where used. The study reveals a strong interaction and affinity of H1 as well as peptide structuration especially with membranes containing anionic lipids. Moreover, the interactions and peptide structure adoption are headgroup specific. PMID:25687973

  3. PRIMOS: an integrated database of reassessed protein-protein interactions providing web-based access to in silico validation of experimentally derived data.

    PubMed

    Rid, Raphaela; Strasser, Wolfgang; Siegl, Doris; Frech, Christian; Kommenda, Michael; Kern, Thomas; Hintner, Helmut; Bauer, Johann W; Önder, Kamil

    2013-06-01

    Steady improvements in proteomics present a bioinformatic challenge to retrieve, store, and process the accumulating and often redundant amount of information. In particular, a large-scale comparison and analysis of protein-protein interaction (PPI) data requires tools for data interpretation as well as validation. At this juncture, the Protein Interaction and Molecule Search (PRIMOS) platform represents a novel web portal that unifies six primary PPI databases (BIND, Biomolecular Interaction Network Database; DIP, Database of Interacting Proteins; HPRD, Human Protein Reference Database; IntAct; MINT, Molecular Interaction Database; and MIPS, Munich Information Center for Protein Sequences) into a single consistent repository, which currently includes more than 196,700 redundancy-removed PPIs. PRIMOS supports three advanced search strategies centering on disease-relevant PPIs, on inter- and intra-organismal crosstalk relations (e.g., pathogen-host interactions), and on highly connected protein nodes analysis ("hub" identification). The main novelties distinguishing PRIMOS from other secondary PPI databases are the reassessment of known PPIs, and the capacity to validate personal experimental data by our peer-reviewed, homology-based validation. This article focuses on definite PRIMOS use cases (presentation of embedded biological concepts, example applications) to demonstrate its broad functionality and practical value. PRIMOS is publicly available at http://primos.fh-hagenberg.at. PMID:23772554

  4. Parameter estimating state reconstruction

    NASA Technical Reports Server (NTRS)

    George, E. B.

    1976-01-01

    Parameter estimation is considered for systems whose entire state cannot be measured. Linear observers are designed to recover the unmeasured states to a sufficient accuracy to permit the estimation process. There are three distinct dynamics that must be accommodated in the system design: the dynamics of the plant, the dynamics of the observer, and the system updating of the parameter estimation. The latter two are designed to minimize interaction of the involved systems. These techniques are extended to weakly nonlinear systems. The application to a simulation of a space shuttle POGO system test is of particular interest. A nonlinear simulation of the system is developed, observers designed, and the parameters estimated.

  5. Supplementary Material for "Analytic derivative couplings for the spin-flip variants of configuration interaction singles and time-dependent density

    E-print Network

    Herbert, John

    -axis and the derivative couplings vanish in the x and y directions. RCIS SFCIS SF-BH&HLYP Atom Analytic FD ETF Analytic FD ETF Analytic FD ETF H -0.088057 -0.088057 -0.003857 -0.104717 -0.104718 -0.078036 -0.092725 -0

  6. Synthesis, spectroscopic characterization and in vitro antimicrobial, anticancer and antileishmanial activities as well interaction with Salmon sperm DNA of newly synthesized carboxylic acid derivative, 4-(4-methoxy-2-nitrophenylamino)-4-oxobutanoic acid

    NASA Astrophysics Data System (ADS)

    Sirajuddin, Muhammad; Ali, Saqib; McKee, Vickie; Ullah, Hameed

    2015-03-01

    This paper stresses on the synthesis, characterization of novel carboxylic acid derivative and its application in pharmaceutics. Carboxylic acid derivatives have a growing importance in medicine, particularly in oncology. A novel carboxylic acid, 4-(4-methoxy-2-nitrophenylamino)-4-oxobutanoic acid, was synthesized and characterized by elemental analysis, FT-IR, NMR (1H, and 13C), mass spectrometry and single crystal X-ray structural analysis. The structure of the title compound, C11H12N2O6, shows the molecules dimerised by short intramolecular Osbnd H⋯O hydrogen bonds. The compound was screened for in vitro antimicrobial, anticancer, and antileishmanial activities as well as interaction with SS-DNA. The compound was also checked for in vitro anticancer activity against BHK-21, H-157 and HCEC cell lines, and showed significant anticancer activity. The compound was almost non-toxic towards human corneal epithelial cells (HCEC) and did not show more than 7.4% antiproliferative activity when used at the 2.0 ?g/mL end concentration. It was also tested for antileishmanial activity against the promastigote form of leishmania major and obtained attractive result. DNA interaction study exposes that the binding mode of the compound with SS-DNA is an intercalative as it results in hypochromism along with minor red shift. A new and efficient strategy to identify pharmacophores sites in carboxylic acid derivative for antibacterial/antifungal activity using Petra, Osiris and Molinspiration (POM) analyses was also carried out.

  7. Heuristic derivation of continuum kinetic equations from microscopic dynamics.

    PubMed

    Leung, K T

    2001-01-01

    We present an approximate and heuristic scheme for the derivation of continuum kinetic equations from microscopic dynamics for stochastic, interacting systems. The method consists of a mean-field-type, decoupled approximation of the master equation followed by the "naive" continuum limit. The Ising model and driven diffusive systems are used as illustrations. The equations derived are in agreement with other approaches, and consequences of the microscopic dependences of coarse-grained parameters compare favorably with exact or high-temperature expansions. The method is valuable when more systematic and rigorous approaches fail, and when microscopic inputs in the continuum theory are desirable. PMID:11304309

  8. Abstracts and parameter index database for reports pertaining to the unsaturated zone and surface water-ground water interactions at the Idaho National Engineering Laboratory

    Microsoft Academic Search

    G. Bloomsburg; J. Finnie; D. Horn; B. King; J. Liou

    1993-01-01

    This report is a product generated by faculty at the University of Idaho in support of research and development projects on Unsaturated Zone Contamination and Transport Processes, and on Surface Water-Groundwater Interactions and Regional Groundwater Flow at the Idaho National Engineering Laboratory. These projects are managed by the State of Idaho`s INEL Oversight Program under a grant from the US

  9. Metal-pyrazolyl diazine interaction: Synthesis, structure and electrochemistry of binuclear transition metal(II) complexes derived from an `end-off' compartmental Schiff base ligand

    NASA Astrophysics Data System (ADS)

    Budagumpi, Srinivasa; Revankar, Vidyanand K.

    2010-09-01

    Pyrazolyl diazine (?-NN) bridged late first row transition metal(II) complexes have been prepared by the interaction of metal(II) chlorides with an 'end-off' compartmental Schiff base ligand. The ligand system has a strong diazine bridging component and obtained as a condensation product between 1 H-pyrazole-3,5-dicarbohydrazide and 3-acetylcoumarin in absolute ethanol. All synthesized compounds are characterized on the basis of various spectral and analytical techniques. Complexes are found to be non-electrolytes and monomeric in nature. The magnetic exchange interactions are very weak because of the more electronegative exogenous chloride, though diazine bridging group bring metal centers in a close proximity.

  10. Stabilization of asphaltenes in aliphatic solvents using alkylbenzene-derived amphiphiles. 2. Study of the asphaltene-amphiphile interactions and structures using Fourier transform infrared spectroscopy and small-angle X-ray scattering techniques

    SciTech Connect

    Chang, C.L.; Fogler, H.S. (Univ. of Michigan, Ann Arbor, MI (United States))

    1994-06-01

    In the preceding paper in this issue, the influence of the chemical structure of a series of alkylbenzene-derived amphiphiles on the stabilization of asphaltenes was described. In this paper, we present the results of using Fourier transform infrared (FTIR) spectroscopy and small-angle X-ray scattering (SAXS) techniques to study the interaction between asphaltenes and two alkylbenzene-derived amphiphiles, p-alkylphenol and p-alkylbenzenesulfonic acid. FTIR spectroscopy was used to characterize and quantify the acid-base interactions between asphaltenes and amphiphiles. It was found that asphaltenes could hydrogen-bond to p-dodecylphenol amphiphiles. The hydrogen-bonding capacity of asphaltenes was estimated to be 1.6-2.0 mmol/g of asphaltene. On the other hand, the FTIR spectroscopic study indicated that asphaltenes had a complicated acid-base interaction with p-dodecylbenzenesulfonic acid (DBSA) amphiphiles with a stoichiometry of about 1.8 mmol of DBSA/g of asphaltene. The UV/vis spectroscopic study suggested that asphaltenes and DBSA could associate into large electronic conjugated complexes. Physical evidence of the association between asphaltenes and amphiphiles was obtained by SAXS measurements. 27 refs., 10 figs.

  11. Fourth order spatial derivative gravity

    E-print Network

    F. S. Bemfica; M. Gomes

    2011-10-12

    In this work we study a modified theory of gravity that contains up to fourth order spatial derivatives as a model for the Horava-Lifshitz gravity. The propagator is evaluated and, as a result, it is obtained one extra pole corresponding to a spin two nonrelativistic massless particle, an extra term which jeopardizes renormalizability, besides the unexpected general relativity unmodified propagator. Then, unitarity is proved at the tree-level, where the general relativity pole has shown to have no dynamics, remaining only the two degrees of freedom of the new pole. Next, the nonrelativistic effective potential is determined from a scattering process of two identical massive gravitationally interacting bosons. In this limit, Newton's potential is obtained, together with a Darwin-like term that comes from the extra non-pole term in the propagator. Regarding renormalizability, this extra term may be harmful, by power counting, but it can be eliminated by adjusting the free parameters of the model. This adjustment is in accord with the detailed balance condition suggested in the literature and shows that the way in which extra spatial derivative terms are added is of fundamental importance.

  12. Ternary copper(II) complexes of levofloxacin and phenanthroline derivatives: in-vitro antibacterial, DNA interactions, and SOD-like activity.

    PubMed

    Patel, M N; Parmar, Pradhuman Amrutsinh; Gandhi, Deepen Sureshbhai; Thakkar, Vasudev R

    2011-06-01

    A series of ternary copper(II) complexes have been derived using levofloxacin and five phenanthroline derivatives. Complexes were characterized using infrared spectroscopy, Thermogravimetric (TG)-analysis, fast atom bombardment mass spectroscopy and reflectance spectra. Synthesized complexes exhibit the only d-d band at ? 666?nm points toward a distorted square pyramidal geometry at metal centre with one unpaired electron responsible for paramagnetic behaviour of whole moiety. Binding behaviour of the complexes toward Herring Sperm DNA were determined using ultraviolet-Vis (UV-Vis) absorption titration and viscometric titration experiment, where as the cleavage efficacy of the complexes toward pUC19 DNA was determined by electrophoresis in presence of ethidium bromide. Complexes exhibit superoxide dismutase-like activity with their IC(50) values ranging from 0.7917 to 1.7432 µM. PMID:21271865

  13. Interaction of flavan-3-ol derivatives and different caseins is determined by more than proline content and number of proline repeats.

    PubMed

    Bohin, Maxime C; Vincken, Jean-Paul; Westphal, Adrie H; Tripp, Annelise M; Dekker, Peter; van der Hijden, Harry T W M; Gruppen, Harry

    2014-09-01

    Interactions of Type A and B flavan-3-ol dimers (procyanidins) and several monomeric flavan-3-ols, with ?-casein and ?-casein, were investigated. Binding affinities measured were related to the ligands structure, including several properties (e.g. intrinsic flexibility (number of rotatable bonds) and hydrophobicity), and to the amino-acid composition of the caseins. A monomeric flavan-3-ol esterified with gallic acid (EGCG) had a five to ten times higher affinity to caseins compared to the non-galloylated dimeric flavan-3-ols. In this case, the larger number of rotatable bonds in EGCG might be accountable for this difference. Comparing flavan-3-ol dimers, intrinsic flexibility did not consistently promote interactions, as procyanidin A1 displayed a higher affinity to ?-casein than the supposedly more flexible B-type dimers investigated. Despite its higher content of proline, compared to ?-casein, ?-casein did not always have a higher affinity for the ligands investigated (e.g. no interaction with procyanidin A1 detected). These results suggest that more factors than proline content and the number of proline repeats govern phenolic-casein interactions. PMID:24731362

  14. On the Importance of C?H/? and C?H???H?C Interactions in the Solid State Structure of 15-Lipoxygenase Inhibitors Based on Eugenol Derivatives.

    PubMed

    Mirzaei, Masoud; Nikpour, Mohsen; Bauzá, Antonio; Frontera, Antonio

    2015-07-20

    In this manuscript the X-ray structures of two potent and known inhibitors of 15-lipoxygenase, that is, 4-allyl-2-methoxyphenyl-1-admantanecarboxylate (1) and allyl-2-methoxyphenyl-1-cyclohexanecarboxylate (2), are reported. Their solid-state architectures show that they have a strong ability to establish C?H/? and C?H???H?C interactions. For the former interaction, the adamantane or cyclohexane moieties are the C?H donors and the electron-rich methoxyphenyl ring is the ? system. For the latter, the C?H bonds belong to the aliphatic rings of the inhibitors. Interestingly, the active site of lipoxygenase enzyme family is rich in isoleucine and leucine amino acids that participate in the binding of the unsaturated fatty acid substrate by means of multiple hydrophobic C?H???H?C interactions. By means of theoretical calculations, we analyze the ability of compounds 1 and 2 to establish C?H/? and C?H???H?C interactions in the solid state. PMID:26014302

  15. Deriving the radial distances of wide coronal mass ejections from elongation measurements in the heliosphere - application to CME-CME interaction

    Microsoft Academic Search

    N. Lugaz; A. Vourlidas; I. I. Roussev

    2009-01-01

    We present general considerations regarding the derivation of the radial distances of coronal mass ejections (CMEs) from elongation angle measurements such as those provided by SECCHI and SMEI, focusing on measurements in the Heliospheric Imager 2 (HI-2) field of view (i.e. past 0.3 AU). This study is based on a three-dimensional (3-D) magneto-hydrodynamics (MHD) simulation of two CMEs observed by

  16. Ets1 Stimulates Platelet-Derived Growth Factor A-Chain Gene Transcription and Vascular Smooth Muscle Cell Growth via Cooperative Interactions With Sp1

    Microsoft Academic Search

    Fernando S. Santiago; Levon M. Khachigian

    2010-01-01

    The platelet-derived growth factor (PDGF) family of ligands (composed of A-, B-, C-, and D-chains), potent mitogens, and chemoattractants for cells of mesenchymal origin has been implicated in numerous vascular pathologies involving smooth muscle cell (SMC) hyperplasia. Understanding the molecular mechanisms mediating PDGF transcription would provide new insights into strategies to control PDGF-dependent pathophysiologic processes. We demonstrated previously that PDGF-A

  17. Non-Abelian symmetries of stochastic processes: Derivation of correlation functions for random-vertex models and disordered-interacting-particle systems

    Microsoft Academic Search

    Gunter Schütz; Sven Sandow

    1994-01-01

    We consider systems of particles hopping stochastically on d-dimensional lattices with space-dependent probabilities. We map the master equation onto an evolution equation in a Fock space where the dynamics are given by a quantum Hamiltonian (continuous time) or a transfer matrix (discrete time). Using non-Abelian symmetries of these operators we derive duality relations, expressing the time evolution of a given

  18. Interaction of naphthalene derivatives with lipids in membranes studied by the 1H-nuclear Overhauser effect and molecular dynamics simulation.

    PubMed

    Shintani, Megumi; Matsuo, Yushi; Sakuraba, Shun; Matubayasi, Nobuyuki

    2012-10-28

    The location, orientation, and dynamics of hydrophobic small molecules in lipid membranes are studied through combined use of solution-state (1)H-NMR and MD simulation. 1-Naphthol and 1-methylnaphthalene were adopted as the small molecules with or without hydrophilic groups. The nuclear Overhauser effect (NOE) measurement was performed for large unilamellar vesicles (100 nm in diameter) composed of dimyristoylphosphatidylcholine (DMPC) and the naphthalene derivative. The transient NOE-SE (spin-echo) scheme previously reported (J. Phys. Chem. B, 2011, 115, 9106-9115) was employed to quantitatively determine the NOE cross relaxation rate constant between DMPC and the naphthalene derivative. The observed NOE shows that both the naphthalene derivatives distribute over a wide domain across the normal of the essentially planar membrane ranging from the hydrophobic core to the hydrophilic headgroup. The experimental NOE information was further refined in combination with the analysis of time correlation functions in MD simulation. It was found that 1-naphthol exhibits a slight preference for pointing its OH group toward the hydrophilic domain of the membrane and that no definite preference can be concluded for the orientation of 1-methylnaphthalene. When 1-naphthol and 1-methylnaphthalene are compared, the NOE is stronger for 1-naphthol due to the restricted motion of the OH group. The slowdown of the 1-naphthol motion is also evidenced by the (1)H spectral line width. PMID:22983117

  19. Deriving the radial distances of wide coronal mass ejections from elongation measurements in the heliosphere - Application to CME-CME interaction

    E-print Network

    Lugaz, N; Roussev, I I

    2009-01-01

    We present general considerations regarding the derivation of the radial distances of coronal mass ejections (CMEs) from elongation angle measurements such as those provided by SECCHI and SMEI, focusing on measurements in the Heliospheric Imager 2 (HI-2) field of view (i.e. past 0.3 AU). This study is based on a three-dimensional (3-D) magneto-hydrodynamics (MHD) simulation of two CMEs observed by SECCHI on January 24-27, 2007. Having a 3-D simulation with synthetic HI images, we are able to compare the two basic methods used to derive CME positions from elongation angles, the so-called "Point-P" and "Fixed-Phi" approximations. We confirm, following similar works, that both methods, while valid in the most inner heliosphere, yield increasingly large errors in HI-2 field of view for fast and wide CMEs. Using a simple model of a CME as an expanding self-similar sphere, we derive an analytical relationship between elongation angles and radial distances for wide CMEs. This relationship is simply the harmonic mean...

  20. Carbon and water flux responses to physiology by environment interactions: a sensitivity analysis of variation in climate on photosynthetic and stomatal parameters

    NASA Astrophysics Data System (ADS)

    Bauerle, William L.; Daniels, Alex B.; Barnard, David M.

    2014-05-01

    Sensitivity of carbon uptake and water use estimates to changes in physiology was determined with a coupled photosynthesis and stomatal conductance ( g s) model, linked to canopy microclimate with a spatially explicit scheme (MAESTRA). The sensitivity analyses were conducted over the range of intraspecific physiology parameter variation observed for Acer rubrum L. and temperate hardwood C3 (C3) vegetation across the following climate conditions: carbon dioxide concentration 200-700 ppm, photosynthetically active radiation 50-2,000 ?mol m-2 s-1, air temperature 5-40 °C, relative humidity 5-95 %, and wind speed at the top of the canopy 1-10 m s-1. Five key physiological inputs [quantum yield of electron transport ( ?), minimum stomatal conductance ( g 0), stomatal sensitivity to the marginal water cost of carbon gain ( g 1), maximum rate of electron transport ( J max), and maximum carboxylation rate of Rubisco ( V cmax)] changed carbon and water flux estimates ?15 % in response to climate gradients; variation in ?, J max, and V cmax input resulted in up to ~50 and 82 % intraspecific and C3 photosynthesis estimate output differences respectively. Transpiration estimates were affected up to ~46 and 147 % by differences in intraspecific and C3 g 1 and g 0 values—two parameters previously overlooked in modeling land-atmosphere carbon and water exchange. We show that a variable environment, within a canopy or along a climate gradient, changes the spatial parameter effects of g 0, g 1, ?, J max, and V cmax in photosynthesis- g s models. Since variation in physiology parameter input effects are dependent on climate, this approach can be used to assess the geographical importance of key physiology model inputs when estimating large scale carbon and water exchange.

  1. The spectrum of the very massive binary system WR 20a (WN6ha + WN6ha): Fundamental parameters and wind interactions

    Microsoft Academic Search

    G. Rauw; P. A. Crowther; M. De Becker; E. Gosset; Y. Nazé; H. Sana; K. A. van der Hucht; J.-M. Vreux; P. M. Williams

    2005-01-01

    We analyse the optical spectrum of the very massive binary system WR 20a (WN6ha + WN6ha). The most prominent emission lines, Halpha and He ii lambda 4686, display strong phase-locked profile variability. From the variations of their equivalent widths and from a tomographic analysis, we find that part of the line emission probably arises in a wind interaction region between

  2. Stochastic control system parameter identifiability

    NASA Technical Reports Server (NTRS)

    Lee, C. H.; Herget, C. J.

    1975-01-01

    The parameter identification problem of general discrete time, nonlinear, multiple input/multiple output dynamic systems with Gaussian white distributed measurement errors is considered. The knowledge of the system parameterization was assumed to be known. Concepts of local parameter identifiability and local constrained maximum likelihood parameter identifiability were established. A set of sufficient conditions for the existence of a region of parameter identifiability was derived. A computation procedure employing interval arithmetic was provided for finding the regions of parameter identifiability. If the vector of the true parameters is locally constrained maximum likelihood (CML) identifiable, then with probability one, the vector of true parameters is a unique maximal point of the maximum likelihood function in the region of parameter identifiability and the constrained maximum likelihood estimation sequence will converge to the vector of true parameters.

  3. Interaction of benzopyranone derivatives and related compounds with human concentrative nucleoside transporters 1, 2 and 3 heterologously expressed in porcine PK15 nucleoside transporter deficient cells. Structure-activity relationships and determinants of transporter affinity and selectivity.

    PubMed

    Wang, Chunmei; Pimple, Surekha; Buolamwini, John K

    2010-02-01

    Unlike the major equilibrative nucleoside transporters, there is a dearth of potent specific inhibitors of concentrative nucleoside transporters (CNTs). We investigated the interaction of benzopyranone derivatives and related compounds with human (h) CNTs in newly established PK15NTD transfectant cells stably expressing hCNT1 or hCNT2, and previously established PK15NTD/hCNT3 cells. Flavones exhibited the highest inhibitory activity against hCNT2 and hCNT3, whereas the most potent selective inhibitor of hCNT1 was a coumarin derivative. hCNT3 was the only transporter that exhibited moderate sensitivity to the chalcones tested. The most active compound was 6-hydroxy-7-methoxyflavone, which was hCNT3-specific with an IC(50) of 0.57+/-0.20 microM, and over 40-fold more potent than the standard CNT inhibitor, phloridzin (IC(50) of 25+/-3.5 microM). The SAR (Structure-Activity Relationship) shows that high potency against all three hCNTs is conferred by the presence of hydroxyl substituents at both the 7- and 8-positions of flavones and isoflavones. CoMFA (Comparative Molecular Field Analysis) and CoMSIA (Comparative Molecular Similarity Indices Analysis) 3D-QSAR (three-Dimensional Quantitative Structure-Activity Relationship) modeling indicated that electrostatic and hydrophobic properties were the most influential for interactions between the flavonoids and hCNT1, while electrostatic, hydrophobic and hydrogen bond donor properties were predominate for interactions with hCNT2 and hCNT3. The 3D-QSAR results also suggested possible commonalities in hydrogen bonding interactions of flavonoids and nucleosides, suggesting similarities between the hCNT-binding sites of the two classes of compounds. We report the most potent and selective non-nucleoside CNT inhibitors to date; which may serve as research tools and/or leads for further inhibitor development. PMID:19735647

  4. Potassium39 NMR of K + interaction with the gramicidin channel and NMR-derived conductance ratios for Na + , K + and Rb +

    Microsoft Academic Search

    D. W. Urry; T. L. Trapane; C. M. Venkatachalam

    1986-01-01

    Summary A potassium-39 NMR study of potassium ion interaction with the gramicidin transmembrane channel in phospholipid bilayers at high ion activity is reported which allows determination of a weak binding constant, Kbw ?8.3\\/m, and an off-rate constant for the weak site,koffw?2.6×107\\/sec. These values are interpreted with the aid of additional NMR data as the binding constant for formation of the

  5. Parameter extraction from spaceborne MOSFETs

    NASA Technical Reports Server (NTRS)

    Buehler, M. G.; Moore, B. T.; Nixon, R. H.

    1985-01-01

    An addressable matrix of 32 CMOS transistors was designed into a test chip to be flown on the Combined Release and Radiation Effects Satellite (CRRES). In this paper the matrix is described along with a SPICE-like parameter extraction procedure called JMOSFIT, and Cobalt 60 radiation test results are presented that illustrate the shift in the 21-MOSFET parameters derived from JMOSFIT.

  6. Controlling interchain interactions in conjugated polymers: Studies of the physical and electronic properties of PPV-derivatives for application in plastic optoelectronic devices

    NASA Astrophysics Data System (ADS)

    Nguyen, Thuc-Quyen Thai

    Conjugated polymers (CPs) are semiconductors with the processing advantages and mechanical properties of plastics. CPs have high photoluminescence quantum yields, can be synthesized to emit in the visible region, and are soluble in common organic solvents or in water. Thus, CPs offer a wide range of applications in novel optoelectronic devices such as flexible, large area displays. Despite these vast potential applications, CP-based devices are still far from commercialization due to their low efficiency and short operational lifetimes. This thesis focuses on the photophysics and electrical properties of CPs in order to improve their application in light-emitting diodes. One of the controversies about the photophysics of CPs concerns the nature of interactions between polymer chains. The questions we address include: Do interchain species exist? If so, are they best thought of as "aggregates", "excimers", or "polaron pairs"? How do interchain interactions affect polymer photophysics and hence the performance of CP-based devices? Are there ways to control these interchain interactions for desired applications? Our studies focus on two typical CPs: poly(2-methoxy-5-(2'-ethylhexyloxy)-1, 4-phenylene vinylene) (MEH-PPV) and poly(2,5-bis[N-methyl- N-hexylamino] phenylene vinylene) (BAMH-PPV). We find that the polymer conformation changes in different solution environments, leading to interchain interactions because of chain aggregation. When films are cast from these solutions, the aggregates survive the casting process and carry into the films. Near-field scanning optical and atomic force microscopy studies on MEH-PPV films prepared from different solutions reveal a direct correlation between chain packing and the electronic properties of a CP film. Evidence from solvatochromism experiments also suggest that multiple interchain species with various degrees of charge separation exist in annealed MEH-PPV films. We show that the film morphology and the degree of interchain interactions can be controlled by a number of factors: changing the solvent and polymer concentration of the solution from which the films are cast, heating or adding acid to the polymer solutions, and annealing polymer films. The film morphology affects the polymer photophysics, such as photooxidation and exciton-exciton annihilation rates, excited state lifetimes, the performance of CP-based devices: interchain interactions in CP films promote good carrier transport but also reduce the luminescence quantum yield. Thus, much controversy in the literature can be resolved by noting that the polymer samples in different studies were prepared differently, thus have different degrees of interchain interactions. Taking advantage of polymer/mesoporous silica composites, we also discovered that intrachain energy migration occurs more slowly than interchain energy transfer in MEH-PPV. Overall, controlling polymer morphology through film processing conditions has allowed us to improve the performance of CP-based optoelectronic devices.

  7. Interaction of thermo-mechanical processing parameters and stress corrosion cracking for two heats of Ni-Cr-Fe Alloy 600

    SciTech Connect

    Lynn, J.P.; Webb, G.L.

    1984-02-01

    The relationship between hot rolling parameters, annealing parameters, microstructures and stress corrosion cracking behavior of Ni-Cr-Fe Alloy 600 in deaerated primary plant grade water at 680[degrees]F was investigated. A high carbon (0.07%) and a medium carbon (0.04%) heat were hot rolled 20% or 80% starting at 3 different temperatures: below, near, and above the carbide solvus followed by annealing for 1 or 4 hours at a nominal temperature of 1600[degrees]F or 1900[degrees]F. Materials that are resistant to stress corrosion cracking were produced by hot rolling above the carbide solvus temperature followed by annealing at high temperatures (>1900[degrees]F). A combination of hot rolling below carbide solvus, large rolling reduction and a short annealing at a low temperature produced materials susceptible to stress corrosion cracking, especially for the high carbon heat. The resistant materials have by optical metallography as having carbide decorated grain boundaries, little intragranular carbide precipitation and good grainboundary correlation between a nital and a phosphoric acid etch. The susceptible materials as lack grain boundary carbide precipitation, have heavy intragranular carbide precipitation and lack grain boundary correlation between a nital and a phosphoric acid etch.

  8. Self-assembled hydrogel nanoparticles from curdlan derivatives: characterization, anti-cancer drug release and interaction with a hepatoma cell line (HepG2).

    PubMed

    Na, K; Park, K H; Kim, S W; Bae, Y H

    2000-11-01

    Self-assembled hydrogel nanoparticles were synthesized from carboxymethylated (CM)-curdlan, substituted with a sulfonylurea (SU) as a hydrophobic moiety for self-assembly. The degree of SU substitution was 2.4, 5.6, or 7.2 SU groups per hundred anhydroglucose units of curdlan. The physicochemical properties of the self-assembled hydrogel nanoparticles (DS 2.4, DS 5.6, and DS 7.2) in aqueous media were characterized by dynamic light scattering, transmission electron microscopy, and fluorescence spectroscopy. The mean diameter of all samples was less than 300 nm with a unimodal size distribution. The critical aggregation concentrations (CAC) of self-assembled hydrogel nanoparticles in distilled water were 4.2 x 10(-2), 3.1 x 10(-2) and 1.9 x 10(-2) mg/ml for DS 2.4, 5.6 and 7.2, respectively. The loading and release of all-trans retinoic acid (ATRA) was studied. The ATRA loading efficiencies and loading contents of CM-curdlan/SU nanoparticles increased as the degree of SU substitution increased. The ATRA release rate was controlled by the degree of substitution and drug-loading. For specific interaction with a hepatic carcinoma cell line (HepG2), CM-curdlan was additionally conjugated with lactobionic acid (LBA; galactose moiety) (5.5 LBA molecules per hundred glucose units). HepG2 was strongly luminated by ligand-receptor interactions with fluorescence-labeled LBA/CM-curdlan/SU hydrogel nanoparticles. The luminescence was not observed for other control cases. It is concluded that LBA/CM-curdlan/SU hydrogel nanoparticles are a useful drug carrier for the treatment of liver cancer, because of the potential immunological enhancement activities of CM-curdlan in the body, the ligand-receptor mediated specific interactions, and the controlled release of the anti-cancer drug. PMID:11064130

  9. Individual Beam Size And Length Measurements at the SLC Interaction Point Derived From the Beam Energy Loss During a Beam Beam Deflection Scan

    SciTech Connect

    Raimondi, P.; Field, R.Clive; Phinney, N.; Ross, M.C.; Slaton, T.; Traller, R.; /SLAC

    2011-08-26

    At the Interaction Point (IP) of the SLC Final Focus, beam-beam deflection scans routinely provide a measurement of the sum in quadrature of the electron and positron transverse beam sizes, but no information on the individual beam sizes. During the 1996 SLC run, an upgrade to the Final Focus beam position monitor system allowed a first measurement of the absolute beam energy loss of both beams on each step of the deflection scan. A fit to the energy loss distributions of the two beams provides a measurement not only of the individual transverse beam sizes at the IP but also of the individual bunch lengths.

  10. CDKL5 ensures excitatory synapse stability by reinforcing NGL-1-PSD95 interaction in the postsynaptic compartment and is impaired in patient iPSC-derived neurons.

    PubMed

    Ricciardi, Sara; Ungaro, Federica; Hambrock, Melanie; Rademacher, Nils; Stefanelli, Gilda; Brambilla, Dario; Sessa, Alessandro; Magagnotti, Cinzia; Bachi, Angela; Giarda, Elisa; Verpelli, Chiara; Kilstrup-Nielsen, Charlotte; Sala, Carlo; Kalscheuer, Vera M; Broccoli, Vania

    2012-09-01

    Mutations of the cyclin-dependent kinase-like 5 (CDKL5) and netrin-G1 (NTNG1) genes cause a severe neurodevelopmental disorder with clinical features that are closely related to Rett syndrome, including intellectual disability, early-onset intractable epilepsy and autism. We report here that CDKL5 is localized at excitatory synapses and contributes to correct dendritic spine structure and synapse activity. To exert this role, CDKL5 binds and phosphorylates the cell adhesion molecule NGL-1. This phosphorylation event ensures a stable association between NGL-1 and PSD95. Accordingly, phospho-mutant NGL-1 is unable to induce synaptic contacts whereas its phospho-mimetic form binds PSD95 more efficiently and partially rescues the CDKL5-specific spine defects. Interestingly, similarly to rodent neurons, iPSC-derived neurons from patients with CDKL5 mutations exhibit aberrant dendritic spines, thus suggesting a common function of CDKL5 in mice and humans. PMID:22922712

  11. Brain-derived neurotrophic factor interacts with adult-born immature cells in the dentate gyrus during consolidation of overlapping memories

    PubMed Central

    Bekinschtein, Pedro; Kent, Brianne A; Oomen, Charlotte A; Clemenson, Gregory D; Gage, Fred H; Saksida, Lisa M; Bussey, Timothy J

    2014-01-01

    Successful memory involves not only remembering information over time but also keeping memories distinct and less confusable. The computational process for making representations of similar input patterns more distinct from each other has been referred to as “pattern separation.” Although adult-born immature neurons have been implicated in this memory feature, the precise role of these neurons and associated molecules in the processing of overlapping memories is unknown. Recently, we found that brain-derived neurotrophic factor (BDNF) in the dentate gyrus is required for the encoding/consolidation of overlapping memories. In this study, we provide evidence that consolidation of these “pattern-separated” memories requires the action of BDNF on immature neurons specifically. PMID:24825389

  12. Discovery of a non-cationic cell penetrating peptide derived from membrane-interacting human proteins and its potential as a protein delivery carrier

    PubMed Central

    Young Kim, Hyo; Young Yum, Soo; Jang, Goo; Ahn, Dae-Ro

    2015-01-01

    Cell penetrating peptides (CPPs) are peptides that can be translocated into cells and used as a carrier platform for the intracellular uptake of cargo molecules. Subject to the source of CPP sequences and their positively charged nature, the cytotoxicity and immunogenicity of conventional CPPs needs to be optimized to expand their utility for biomedical applications. In addition to these safety issues, the stability of CPPs needs to be addressed since their positively charged residues are prone to interact with the biological milieu. As an effort to overcome these limitations of the current CPP technology, we isolated CPP candidate sequences and synthesized peptides from twelve isoforms of annexin, a family of membrane-interacting human proteins. The candidate screen returned a CPP rich in hydrophobic residues that showed more efficient cellular uptake than TAT-CPP. We then investigated the uptake mechanism, subcellular localization, and biophysical properties of the newly found CPP, verifying low cytotoxicity, long-term serum stability, and non-immunogenicity. Finally, model proteins conjugated to this peptide were successfully delivered into mammalian cells both in vitro and in vivo, indicating a potential use of the peptide as a carrier for the delivery of macromolecular cargos. PMID:26114640

  13. Isolation of a novel thioflavin S-derived compound that inhibits BAG-1-mediated protein interactions and targets BRAF inhibitor-resistant cell lines.

    PubMed

    Enthammer, Marion; Papadakis, Emmanouil S; Salomé Gachet, Maria; Deutsch, Martin; Schwaiger, Stefan; Koziel, Katarzyna; Ashraf, Muhammad Imtiaz; Khalid, Sana; Wolber, Gerhard; Packham, Graham; Cutress, Ramsey I; Stuppner, Hermann; Troppmair, Jakob

    2013-11-01

    Protein-protein interactions mediated through the C-terminal Bcl-2-associated athanogene (BAG) domain of BAG-1 are critical for cell survival and proliferation. Thioflavin S (NSC71948)-a mixture of compounds resulting from the methylation and sulfonation of primulin base-has been shown to dose-dependently inhibit the interaction between BAG-1 and Hsc70 in vitro. In human breast cancer cell lines, with high BAG-1 expression levels, Thioflavin S reduces the binding of BAG-1 to Hsc70, Hsp70, or CRAF and decreases proliferation and viability. Here, we report the development of a protocol for the purification and isolation of biologically active constituents of Thioflavin S and the characterization of the novel compound Thio-2. Thio-2 blocked the growth of several transformed cell lines, but had much weaker effects on untransformed cells. Thio-2 also inhibited the proliferation of melanoma cell lines that had become resistant to treatment with PLX4032, an inhibitor of mutant BRAF. In transformed cells, Thio-2 interfered with intracellular signaling at the level of RAF, but had no effect on the activation of AKT. Thio-2 decreased binding of BAG-1 to Hsc70 and to a lesser extent BRAF in vitro and in vivo, suggesting a possible mechanism of action. Given that tumors frequently develop resistance to kinase inhibitors during treatment, Thio-2 and related compounds may offer promising alternative strategies to currently available therapies. PMID:24048738

  14. DNA interaction, antimicrobial, electrochemical and spectroscopic studies of metal(II) complexes with tridentate heterocyclic Schiff base derived from 2?-methylacetoacetanilide

    NASA Astrophysics Data System (ADS)

    Raman, Natarajan; Pothiraj, Krishnan; Baskaran, Thanasekaran

    2011-08-01

    A new Schiff base ligand (HL) was synthesized by the condensation reaction between 2'-methyleacetoacetanilide and 2-amino-3-hydroxypyridine. Its Co(II), Ni(II), Cu(II) and Zn(II) complexes were prepared by the interaction of the ligand with metal(II) chloride. They were characterized by elemental analysis, IR, 1H NMR, EPR, UV-Vis, magnetic susceptibility measurements, conductivity measurements and FAB-mass spectra. The interaction of the complexes with calf thymus DNA (CT-DNA) has been investigated by UV absorption, viscosity and cyclic voltammetry methods, and the mode of CT-DNA binding to the complexes has been explored. Furthermore, the DNA cleavage activity by the complexes was performed. It was found to be oxidative hydroxyl radical cleavage in the presence of 3-mercaptopropionic acid (MPA). The Schiff base and its complexes have been screened for their antibacterial ( Staphylococcus aureus, Escherichia coli, Bacillus subtilis and Pseudomonas aeruginosa) and antifungal ( Aspergillus niger, Rhizopus stolonifer, Rhizoctonia bataicola and Candida albicans) activities and the data reveal that the complexes have higher activity than the free ligand.

  15. A new ternary copper(II) complex derived from 2-(2'-pyridyl)benzimidazole and glycylglycine: synthesis, characterization, DNA binding and cleavage, antioxidation and HSA interaction.

    PubMed

    Fu, Xia-Bing; Lin, Zi-Hua; Liu, Hai-Feng; Le, Xue-Yi

    2014-03-25

    A new ternary copper(II)-dipeptide complex [Cu(glygly)(HPB)(Cl)]?2H2O (glygly=glycylglycine anion, HPB=2-(2'-pyridyl)benzimidazole) has been synthesized and characterized. The DNA interaction of the complex was studied by spectroscopic methods, viscosity, and electrophoresis measurements. The antioxidant activity was also investigated using the pyrogallol autoxidation assay. Besides, the interaction of the complex with human serum albumin (HSA) in vitro was examined by multispectroscopic techniques. The complex partially intercalated to CT-DNA with a high binding constant (Kb=7.28×10(5) M(-1)), and cleaved pBR322 DNA efficiently via an oxidative mechanism in the presence of Vc, with the HO· and O2(-) as the active species, and the SOD as a promoter. Furthermore, the complex shows a considerable SOD-like activity with the IC50 value of 3.8386 ?M. The complex exhibits desired binding affinity to HSA, in which hydrogen bond or vander Waals force played a major role. The alterations of HSA secondary structure induced by the complex were confirmed by UV-visible, CD, synchronous fluorescence and 3D fluorescence spectroscopy. PMID:24291450

  16. Effect of truncated neurokinin-1 receptor expression changes on the interaction between human breast cancer and bone marrow-derived mesenchymal stem cells.

    PubMed

    Zhou, Yunli; Zuo, Duo; Wang, Meng; Zhang, Yongci; Yu, Man; Yang, Jie; Yao, Zhi

    2014-09-01

    Previous studies in breast cancer cell lines showed that truncated neurokinin receptor-1 (NK1R-Tr) was able to promote malignant transformation of breast cells, and NK1R-Tr may contribute to tumor progression and promote distant metastasis in human breast cancer. A co-culture model of breast cancer and bone marrow-derived human mesenchymal stem (HMSC-bm) cells showed that HMSC-bm inhibited the growth of breast cancer cells and entered the bone marrow at early stages. Down-regulation of NK1R-Tr may be a key factor in maintaining the quiescent phenotype of breast cancer cells among bone marrow stroma. Stromal-derived factor (SDF)-1? expression was negatively correlated with NK1R-Tr expression in breast cancer cells. Secretion of SDF-1? by HMSC-bm may maintain the quiescent phenotype of breast cancer cells among bone marrow stroma by down-regulating NK1R-Tr expression. Transforming growth factor (TGF)-?1 expression was positively associated with NK1R-Tr expression in breast cancer cells. In a co-culture system, MDA-MB-231-TGF-?1I (TGF-? genes were suppressed using specific shRNA) cells were able to attach to HMSC-bm quickly, indicating that TGF-?1 was also a key factor for maintaining the quiescent phenotype of breast cancer cells in bone marrow stroma. However, the detailed mechanism still remained unclear and could involve other molecules, in addition to NK1R-Tr. PMID:25130457

  17. Cosmological Parameters

    E-print Network

    Charles H. Lineweaver

    2001-12-17

    This article briefly summarizes the increasingly precise observational estimates of the cosmological parameters. After three years on the stump, the Lambda-CDM model is still the leading candidate. Although the Universe is expanding, our picture of it is coming together.

  18. Complex derivatives

    NASA Astrophysics Data System (ADS)

    Battiston, Stefano; Caldarelli, Guido; Georg, Co-Pierre; May, Robert; Stiglitz, Joseph

    2013-03-01

    The intrinsic complexity of the financial derivatives market has emerged as both an incentive to engage in it, and a key source of its inherent instability. Regulators now faced with the challenge of taming this beast may find inspiration in the budding science of complex systems.

  19. Complex higher order derivative theories

    SciTech Connect

    Margalli, Carlos A.; Vergara, J. David [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-543, Mexico 04510 DF (Mexico)

    2012-08-24

    In this work is considered a complex scalar field theory with higher order derivative terms and interactions. A procedure is developed to quantize consistently this system avoiding the presence of negative norm states. In order to achieve this goal the original real scalar high order field theory is extended to a complex space attaching a complex total derivative to the theory. Next, by imposing reality conditions the complex theory is mapped to a pair of interacting real scalar field theories without the presence of higher derivative terms.

  20. Relationships of Teaching Patterns to Indices of Classroom Verbal Interaction Behavior: A Further Analysis and Synthesis of Classroom Verbal Interaction Data Using Descriptive Indices of Behavior and Teaching Pattern Analysis.

    ERIC Educational Resources Information Center

    Bosch, Albert C.

    Data from four studies utilizing Flander's classroom verbal interaction analysis were reexamined to determine the stability and sensitivity of ten derived parameters that can be used to distinguish between lessons that have different amounts of indirect teacher behaviors. Teaching patterns were extracted and compared with these derived indices. No…

  1. IGGy: An interactive environment for surface grid generation

    NASA Technical Reports Server (NTRS)

    Prewitt, Nathan C.

    1992-01-01

    A graphically interactive derivative of the EAGLE boundary code is presented. This code allows the user to interactively build and execute commands and immediately see the results. Strong ties with a batch oriented script language are maintained. A generalized treatment of grid definition parameters allows a more generic definition of the grid generation process and allows the generation of command scripts which can be applied to topologically similar configurations. The use of the graphical user interface is outlined and example applications are presented.

  2. Bis(2,3-dibromo-4,5-dihydroxybenzyl) ether, a marine algae derived bromophenol, inhibits the growth of Botrytis cinerea and interacts with DNA molecules.

    PubMed

    Liu, Ming; Wang, Genzhu; Xiao, Lin; Xu, Xuanli; Liu, Xiaohui; Xu, Pingxiang; Lin, Xiukun

    2014-07-01

    Bis(2,3-dibromo-4,5-dihydroxybenzyl) ether (BDDE) is a bromophenol isolated from marine algae. Previous reports have shown that BDDE possesses cytotoxic and antibacterial activity. In the present study, we demonstrate that BDDE displays broad-spectrum antifungal activities, especially on Botrytis cinerea. BDDE inhibits the growth of B. cinerea cultured on a solid medium of potato dextrose agar (PDA) as well as on the potato dextrose broth (PDB) medium. Moreover, BDDE decreases the incidence of fruit decay and severity of strawberries infected with B. cinerea. Further studies have revealed that BDDE decreases the germination rate and inhibits the mycelial growth of B. cinerea. The inhibition mechanisms are related to the disruption of the cell membrane integrity in B. cinerea spores and newly formed germ tubes. This study also suggests that BDDE possibly interacts with DNA via intercalation and minor groove binding. The studies provide evidence that BDDE has potential application in the control of gray mold after fruit harvest and the compound could serve as a candidate or lead template for rational drug design and for the development of antifungal agents. PMID:24979270

  3. Decreased Myocardial Injury and Improved Contractility After Administration of a Peptide Derived Against the Alpha?Interacting Domain of the L?Type Calcium Channel

    PubMed Central

    Viola, Helena M.; Jordan, Maria C.; Roos, Kenneth P.; Hool, Livia C.

    2014-01-01

    Background Myocardial infarction remains the leading cause of morbidity and mortality associated with coronary artery disease. The L?type calcium channel (ICa?L) is critical to excitation and contraction. Activation of the channel also alters mitochondrial function. Here, we investigated whether application of a alpha?interacting domain/transactivator of transcription (AID?TAT) peptide, which immobilizes the auxiliary ?2 subunit of the channel and decreases metabolic demand, could alter mitochondrial function and myocardial injury. Methods and Results Treatment with AID?TAT peptide decreased ischemia?reperfusion injury in guinea?pig hearts ex vivo (n=11) and in rats in vivo (n=9) assessed with uptake of nitroblue tetrazolium, release of creatine kinase, and lactate dehydrogenase. Contractility (assessed with catheterization of the left ventricle) was improved after application of AID?TAT peptide in hearts ex vivo (n=6) and in vivo (n=8) up to 12 weeks before sacrifice. In search of the mechanism for the effect, we found that intracellular calcium ([Ca2+]i, Fura?2), superoxide production (dihydroethidium fluorescence), mitochondrial membrane potential (?m, JC?1 fluorescence), reduced nicotinamide adenine dinucleotide production, and flavoprotein oxidation (autofluorescence) are decreased after application of AID?TAT peptide. Conclusions Application of AID?TAT peptide significantly decreased infarct size and supported contractility up to 12 weeks postcoronary artery occlusion as a result of a decrease in metabolic demand during reperfusion. PMID:24958783

  4. Bis(2,3-dibromo-4,5-dihydroxybenzyl) Ether, a Marine Algae Derived Bromophenol, Inhibits the Growth of Botrytis cinerea and Interacts with DNA Molecules

    PubMed Central

    Liu, Ming; Wang, Genzhu; Xiao, Lin; Xu, Xuanli; Liu, Xiaohui; Xu, Pingxiang; Lin, Xiukun

    2014-01-01

    Bis(2,3-dibromo-4,5-dihydroxybenzyl) ether (BDDE) is a bromophenol isolated from marine algae. Previous reports have shown that BDDE possesses cytotoxic and antibacterial activity. In the present study, we demonstrate that BDDE displays broad-spectrum antifungal activities, especially on Botrytis cinerea. BDDE inhibits the growth of B. cinerea cultured on a solid medium of potato dextrose agar (PDA) as well as on the potato dextrose broth (PDB) medium. Moreover, BDDE decreases the incidence of fruit decay and severity of strawberries infected with B. cinerea. Further studies have revealed that BDDE decreases the germination rate and inhibits the mycelial growth of B. cinerea. The inhibition mechanisms are related to the disruption of the cell membrane integrity in B. cinerea spores and newly formed germ tubes. This study also suggests that BDDE possibly interacts with DNA via intercalation and minor groove binding. The studies provide evidence that BDDE has potential application in the control of gray mold after fruit harvest and the compound could serve as a candidate or lead template for rational drug design and for the development of antifungal agents. PMID:24979270

  5. Lipoxygenase-derived 9-hydro(pero)xides of linoleoylethanolamide interact with ABA signaling to arrest root development during Arabidopsis seedling establishment.

    PubMed

    Keereetaweep, Jantana; Blancaflor, Elison B; Hornung, Ellen; Feussner, Ivo; Chapman, Kent D

    2015-04-01

    Ethanolamide-conjugated fatty acid derivatives, also known as N-acylethanolamines (NAEs), occur at low levels (?g per g) in desiccated seeds, and endogenous amounts decline rapidly with seedling growth. Linoleoylethanolamide (NAE18:2) is the most abundant of these NAEs in seeds of almost all plants, including Arabidopsis thaliana. In Arabidopsis, NAE18:2 may be oxidized by lipoxygenase (LOX) or hydrolyzed by fatty acid amide hydrolase (FAAH) during normal seedling establishment, and this contributes to the normal progression of NAE depletion that is coincident with the depletion of abscisic acid (ABA). Here we provide biochemical, genetic and pharmacological evidence that a specific 9-LOX metabolite of NAE18:2 [9-hydro(pero)xy linoleoylethanolamide (9-NAE-H(P)OD)] has a potent negative influence on seedling root elongation, and acts synergistically with ABA to modulate the transition from embryo to seedling growth. Genetic analyses using mutants in ABA synthesis (aba1 and aba2), perception (pyr1, pyl1, pyl2, pyl4, pyl5 and pyl8) or transcriptional activation (abi3-1) indicated that arrest of root growth by 9-NAE-H(P)OD requires an intact ABA signaling pathway, and probably operates to increase ABA synthesis as part of a positive feedback loop to modulate seedling establishment in response to adverse environmental conditions. These results identify a specific, bioactive ethanolamide oxylipin metabolite of NAE18:2, different from those of ethanolamide-conjugated linolenic acid (NAE18:3), as well as a molecular explanation for its inhibitory action, emphasizing the oxidative metabolism of NAEs as an important feature of seedling development. PMID:25752187

  6. Synthesis of novel palladium(II) complexes with oxalic acid diamide derivatives and their interaction with nucleosides and proteins. Structural, solution, and computational study.

    PubMed

    Mrkali?, Emina M; Jeli?, Ratomir M; Klisuri?, Olivera R; Matovi?, Zoran D

    2014-10-28

    Novel palladium complexes, KH[Pd(obap)]2·3H2O (3) with oxamido-N-aminopropyl-N'-benzoic acid and [Pd(apox)] (4) with N,N'-bis(3-aminopropyl)ethanediamide, were synthesized. Exhaustive synthetic, solution and structural studies of the two Pd(ii) complexes are reported. The binary and ternary systems of the Pd(ii) ion with H2apox or H3obap as primary ligands and nucleosides (Ado or Cyt) as secondary ligands, are investigated in order to better understand their equilibrium chemistry. The relative stabilities of the ternary complexes are determined and compared with those of the corresponding binary complexes in terms of their ?log?K values. The species distribution of all complexes in solution is evaluated. Fluorescence spectroscopy data shows that the fluorescence quenching of HSA is a result of the formation of the [PdL]-HSA complex. The structure of complex 3 is confirmed using X-ray crystallography. The results are compared to those obtained for palladium complexes of similar structures. Density functional theory (DFT) has been applied for modelling and energetic analysis purposes. The nature of the Pd-N(O) bond interaction is analyzed using NBO. We report here docking simulation experiments in order to predict the most probable mechanism of pro-drug-action. The next free binding energy order of the best scores from the [PdL]-DNA docking simulations, cis-[Pt(NH3)2(H2O)2](2+) > [Pd(obap)] > [Pd(mda)], has been observed in the case of DNA alteration. For the ER and cytosolic stress mechanisms the results of the docking simulations to the chaperons Grp78 and Hsc70 are promising for possible applications as potent protein inhibitors (Ki of [Pd(mda)]/GRP78 being ?66 ?M and Ki for [Pd(obap)]/HSC70 being 14.39 ?M). PMID:25177821

  7. Structure-based drug design studies of the interactions of ent-kaurane diterpenes derived from Wedelia paludosa with the Plasmodium falciparum sarco/endoplasmic reticulum Ca2+-ATPase PfATP6

    PubMed Central

    Guimarães, Daniel Silqueira Martins; da Fonseca, Amanda Luisa; Batista, Ronan; Comar, Moacyr; de Oliveira, Alaíde Braga; Taranto, Alex Gutterres; Varotti, Fernando de Pilla

    2015-01-01

    Malaria is responsible for more deaths around the world than any other parasitic disease. Due to the emergence of strains that are resistant to the current chemotherapeutic antimalarial arsenal, the search for new antimalarial drugs remains urgent though hampered by a lack of knowledge regarding the molecular mechanisms of artemisinin resistance. Semisynthetic compounds derived from diterpenes from the medicinal plant Wedelia paludosa were tested in silico against the Plasmodium falciparum Ca2+-ATPase, PfATP6. This protein was constructed by comparative modelling using the three-dimensional structure of a homologous protein, 1IWO, as a scaffold. Compound 21 showed the best docking scores, indicating a better interaction with PfATP6 than that of thapsigargin, the natural inhibitor. Inhibition of PfATP6 by diterpene compounds could promote a change in calcium homeostasis, leading to parasite death. These data suggest PfATP6 as a potential target for the antimalarial ent-kaurane diterpenes. PMID:25946251

  8. Schumann resonance parameter changes during high-energy particle precipitation

    NASA Astrophysics Data System (ADS)

    Schlegel, K.; Füllekrug, M.

    1999-05-01

    A systematic study of Schumann resonance parameters during high-energy particle precipitation events is presented. Protons and electrons with energies above 1 MeV ionize the upper boundary of the Earth-ionosphere cavity, leading to an increase of the resonance frequency and a decrease of the damping of the first Schumann resonance, as derived from measurements at Arrival Heights, Antarctica. The study uses the nine strongest solar proton events of the past solar cycle 22 and high-energy electrons emitted periodically from corotating interaction regions in the solar wind during 1994-1995. The variation of the Schumann resonance parameters is in qualitative agreement with current theories of Schumann resonances. The study also shows that high-energy particle precipitation is not the only relevant source affecting Schumann resonance parameters. The reported findings constitute a so far little-explored aspect of solar terrestrial relations.

  9. FY2014 Parameters for Gold Ions in Booster, AGS, and RHIC

    SciTech Connect

    Gardner, C. J.

    2014-07-30

    The nominal parameters for gold ions in Booster, AGS, and RHIC are given for the FY2014 running period. The parameters are worked out using various formulas to derive mass, kinetic parameters, RF parameters, ring parameters etc..

  10. Lung-Derived Factors Mediate Breast Cancer Cell Migration through CD44 Receptor-Ligand Interactions in a Novel Ex Vivo System for Analysis of Organ-Specific Soluble Proteins12

    PubMed Central

    Chu, Jenny E; Xia, Ying; Chin-Yee, Benjamin; Goodale, David; Croker, Alysha K; Allan, Alison L

    2014-01-01

    Breast cancer preferentially metastasizes to lung, lymph node, liver, bone, and brain. However, it is unclear whether properties of cancer cells, properties of organ microenvironments, or a combination of both is responsible for this observed organ tropism. We hypothesized that breast cancer cells exhibit distinctive migration/growth patterns in organ microenvironments that mirror common clinical sites of breast cancer metastasis and that receptor-ligand interactions between breast cancer cells and soluble organ-derived factors mediate this behavior. Using an ex vivo model system composed of organ-conditioned media (CM), human breast cancer cells (MDA-MB-231, MDA-MB-468, SUM149, and SUM159) displayed cell line-specific and organ-specific patterns of migration/proliferation that corresponded to their in vivo metastatic behavior. Notably, exposure to lung-CM increased migration of all cell lines and increased proliferation in two of four lines (P < .05). Several cluster of differentiation (CD) 44 ligands including osteopontin (OPN) and L-selectin (SELL) were identified in lung-CM by protein arrays. Immunodepletion of SELL decreased migration of MDA-MB-231 cells, whereas depletion of OPN decreased both migration and proliferation. Pretreatment of cells with a CD44-blocking antibody abrogated migration effects (P < .05). “Stemlike” breast cancer cells with high aldehyde dehydrogenase and CD44 (ALDHhiCD44+) responded in a distinct chemotactic manner toward organ-CM, preferentially migrating toward lung-CM through CD44 receptor-ligand interactions (P < .05). In contrast, organ-specific changes in migration were not observed for ALDHlowCD44- cells. Our data suggest that interactions between CD44+ breast cancer cells and soluble factors present in the lung microenvironment may play an important role in determining organotropic metastatic behavior. PMID:24709425

  11. Interactions Between Computational Verbs

    Microsoft Academic Search

    Tao Yang

    2008-01-01

    Different types of interactions between computa- tional verbs are studied in a general context. The interactions can be categorized by their strengthes and directions as well as the configurations of interactions. Two interaction types; namely, coupling and parameter modulation are studied. The identical synchronization and generalized synchronization between com- putational verbs and their linguistic implications are investigated. The merge and

  12. Crystal structure of (4S)-aminoproline: conformational insight into a pH-responsive proline derivative.

    PubMed

    Siebler, Christiane; Trapp, Nils; Wennemers, Helma

    2015-03-01

    The crystal structure of a (4S)-configured ammoniumproline derivative is presented. The trifluoroacetic acid salt of the acetylated methylester of (4S)-aminoproline (Ac-(4S)Amp-OMe) crystallized as the trans conformer with a C(4)-endo ring pucker. The high-resolution structure shows typical parameters for a transannular H-bond and an n????* interaction between the adjacent amide and ester groups. The structure corroborates previous findings of solution phase studies on the importance of these two interactions in acidic and neutral aqueous environments for the conformation of this pH-responsive proline derivative. PMID:25581874

  13. Parameter