WorldWideScience

Sample records for complex organic matrices

  1. Chequered surfaces and complex matrices

    International Nuclear Information System (INIS)

    Morris, T.R.; Southampton Univ.

    1991-01-01

    We investigate a large-N matrix model involving general complex matrices. It can be reinterpreted as a model of two hermitian matrices with specific couplings, and as a model of positive definite hermitian matrices. Large-N perturbation theory generates dynamical triangulations in which the triangles can be chequered (i.e. coloured so that neighbours are opposite colours). On a sphere there is a simple relation between such triangulations and those generated by the single hermitian matrix model. For the torus (and a quartic potential) we solve the counting problem for the number of triangulations that cannot be quechered. The critical physics of chequered triangulations is the same as that of the hermitian matrix model. We show this explicitly by solving non-perturbatively pure two-dimensional ''chequered'' gravity. The interpretative framework given here applies to a number of other generalisations of the hermitian matrix model. (orig.)

  2. Infrared spectra of complex organic molecules in astronomically relevant ice matrices. I. Acetaldehyde, ethanol, and dimethyl ether

    Science.gov (United States)

    Terwisscha van Scheltinga, J.; Ligterink, N. F. W.; Boogert, A. C. A.; van Dishoeck, E. F.; Linnartz, H.

    2018-03-01

    Context. The number of identified complex organic molecules (COMs) in inter- and circumstellar gas-phase environments is steadily increasing. Recent laboratory studies show that many such species form on icy dust grains. At present only smaller molecular species have been directly identified in space in the solid state. Accurate spectroscopic laboratory data of frozen COMs, embedded in ice matrices containing ingredients related to their formation scheme, are still largely lacking. Aim. This work provides infrared reference spectra of acetaldehyde (CH3CHO), ethanol (CH3CH2OH), and dimethyl ether (CH3OCH3) recorded in a variety of ice environments and for astronomically relevant temperatures, as needed to guide or interpret astronomical observations, specifically for upcoming James Webb Space Telescope observations. Methods: Fourier transform transmission spectroscopy (500-4000 cm-1/20-2.5 μm, 1.0 cm-1 resolution) was used to investigate solid acetaldehyde, ethanol and dimethyl ether, pure or mixed with water, CO, methanol, or CO:methanol. These species were deposited on a cryogenically cooled infrared transmissive window at 15 K. A heating ramp was applied, during which IR spectra were recorded until all ice constituents were thermally desorbed. Results: We present a large number of reference spectra that can be compared with astronomical data. Accurate band positions and band widths are provided for the studied ice mixtures and temperatures. Special efforts have been put into those bands of each molecule that are best suited for identification. For acetaldehyde the 7.427 and 5.803 μm bands are recommended, for ethanol the 11.36 and 7.240 μm bands are good candidates, and for dimethyl ether bands at 9.141 and 8.011 μm can be used. All spectra are publicly available in the Leiden Database for Ice.

  3. Predicting the combinatorial effects of water activity, pH and organic acids on Listeria growth in media and complex food matrices.

    Science.gov (United States)

    Nyhan, L; Begley, M; Mutel, A; Qu, Y; Johnson, N; Callanan, M

    2018-09-01

    The aim of this study was to develop a model to predict growth of Listeria in complex food matrices as a function of pH, water activity and undissociated acetic and propionic acid concentration i.e. common food hurdles. Experimental growth curves of Listeria in food products and broth media were collected from ComBase, the literature and industry sources from which a bespoke secondary gamma model was constructed. Model performance was evaluated by comparing predictions to measured growth rates in growth media (BHI broth) and two adjusted food matrices (zucchini purée and béarnaise sauce). In general, observed growth rates were higher in broth than in the food matrices which resulted in the model over-estimating growth in the adjusted food matrices. In addition, model outputs were more accurate for conditions without acids, indicating that the organic acid component of the model was a source of inaccuracy. In summary, a new predictive growth model for innovating or renovating food products that rely on multi-hurdle technology was created. This study is the first to report on modelling of propionic acid as an inhibitor of Listeria in combination with other hurdles. Our findings provide valuable insights into predictive model design and performance and highlight the importance of experimental validation of models in real food matrices rather than laboratory media alone. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Chaos, complexity, and random matrices

    Science.gov (United States)

    Cotler, Jordan; Hunter-Jones, Nicholas; Liu, Junyu; Yoshida, Beni

    2017-11-01

    Chaos and complexity entail an entropic and computational obstruction to describing a system, and thus are intrinsically difficult to characterize. In this paper, we consider time evolution by Gaussian Unitary Ensemble (GUE) Hamiltonians and analytically compute out-of-time-ordered correlation functions (OTOCs) and frame potentials to quantify scrambling, Haar-randomness, and circuit complexity. While our random matrix analysis gives a qualitatively correct prediction of the late-time behavior of chaotic systems, we find unphysical behavior at early times including an O(1) scrambling time and the apparent breakdown of spatial and temporal locality. The salient feature of GUE Hamiltonians which gives us computational traction is the Haar-invariance of the ensemble, meaning that the ensemble-averaged dynamics look the same in any basis. Motivated by this property of the GUE, we introduce k-invariance as a precise definition of what it means for the dynamics of a quantum system to be described by random matrix theory. We envision that the dynamical onset of approximate k-invariance will be a useful tool for capturing the transition from early-time chaos, as seen by OTOCs, to late-time chaos, as seen by random matrix theory.

  5. Complex Wedge-Shaped Matrices: A Generalization of Jacobi Matrices

    Czech Academy of Sciences Publication Activity Database

    Hnětynková, Iveta; Plešinger, M.

    2015-01-01

    Roč. 487, 15 December (2015), s. 203-219 ISSN 0024-3795 R&D Projects: GA ČR GA13-06684S Keywords : eigenvalues * eigenvector * wedge-shaped matrices * generalized Jacobi matrices * band (or block) Krylov subspace methods Subject RIV: BA - General Mathematics Impact factor: 0.965, year: 2015

  6. Visualizing complex (hydrological) systems with correlation matrices

    Science.gov (United States)

    Haas, J. C.

    2016-12-01

    When trying to understand or visualize the connections of different aspects of a complex system, this often requires deeper understanding to start with, or - in the case of geo data - complicated GIS software. To our knowledge, correlation matrices have rarely been used in hydrology (e.g. Stoll et al., 2011; van Loon and Laaha, 2015), yet they do provide an interesting option for data visualization and analysis. We present a simple, python based way - using a river catchment as an example - to visualize correlations and similarities in an easy and colorful way. We apply existing and easy to use python packages from various disciplines not necessarily linked to the Earth sciences and can thus quickly show how different aquifers work or react, and identify outliers, enabling this system to also be used for quality control of large datasets. Going beyond earlier work, we add a temporal and spatial element, enabling us to visualize how a system reacts to local phenomena such as for example a river, or changes over time, by visualizing the passing of time in an animated movie. References: van Loon, A.F., Laaha, G.: Hydrological drought severity explained by climate and catchment characteristics, Journal of Hydrology 526, 3-14, 2015, Drought processes, modeling, and mitigation Stoll, S., Hendricks Franssen, H. J., Barthel, R., Kinzelbach, W.: What can we learn from long-term groundwater data to improve climate change impact studies?, Hydrology and Earth System Sciences 15(12), 3861-3875, 2011

  7. Enhancement of sensitivity in the determination of organic trace compounds in complex matrices with liquid chromatography-mass spectrometry (LC-MS)

    International Nuclear Information System (INIS)

    Mascher, D.G.

    2002-05-01

    The PhD-thesis deals with 'enhancement of sensitivity in the determination of organic trace compounds in complex matrices with liquid chromatography-mass spectrometry (LC-MS)'. Almost the most important factor is the enhancement of the ionization yield with Atmospheric Pressure Chemical Ionization (APCI) or Electrospray Ionization (ESI) in LC-MS. Ionization yields of different compounds can vary by a factor of 10000. Three ways to solve this problem of little ionization yield were tried: 1) Modification of the mobile phase in HPLC 2) Chemical modification of the analytes 3) A new type of ionization called Atmospheric Pressure Photo Ionization (APPI). ad 1) By using specific additives to mobile phases ion suppression that might derive from an ion pair reagent that was necessary for chromatography could be omitted. General remarks cannot be done. ad 2) Chemical modification or so called derivatization is well known for UV- and fluorescence-detection for a long period of time. As substances containing nitrogene (e.g. primary, secondary or tertiary amines) often have good ionization yields, poor or relatively poor ionizable substances like carboxylic acids, sugars and partially phenolic steroids were used as analytes for derivatization reactions. By using Dansyl as Dansylchlorid or Dansylhydrazine a basic derivatization agent could be found that ionizes very well. A 200 times more sensitive determination of estrogenes is possible after derivatization with Dansylchlorid. Using a tandem-mass-spectrometer a lower limit of quantification of 2 pg/mL plasma could be reached by using 1 mL of plasma. For ketones like carvon and campher an enhancement by a factor of 500 and 4000 could be reached by using Dansylhydrazine as the derivatization agent. For fatty acids DMEQ as derivatization agent enhanced the sensitivity by a factor of 20 to 100. ad 3) APPI as a new ionization mode showed really good results for specific molecules. Relatively unpolar substances as diphenylsulfide

  8. The Development of Novel Nanodiamond Based MALDI Matrices for the Analysis of Small Organic Pharmaceuticals

    Science.gov (United States)

    Chitanda, Jackson M.; Zhang, Haixia; Pahl, Erica; Purves, Randy W.; El-Aneed, Anas

    2016-10-01

    The utility of novel functionalized nanodiamonds (NDs) as matrices for matrix-assisted laser desorption ionization-mass spectrometry (MALDI-MS) is described herein. MALDI-MS analysis of small organic compounds (<1000 Da) is typically complex because of interferences from numerous cluster ions formed when using conventional matrices. To expand the use of MALDI for the analysis of small molecules, novel matrices were designed by covalently linking conventional matrices (or a lysine moiety) to detonated NDs. Four new functionalized NDs were evaluated for their ionization capabilities using five pharmaceuticals with varying molecular structures. Two ND matrices were able to ionize all tested pharmaceuticals in the negative ion mode, producing the deprotonated ions [M - H]-. Ion intensity for target analytes was generally strong with enhanced signal-to-noise ratios compared with conventional matrices. The negative ion mode is of great importance for biological samples as interference from endogenous compounds is inherently minimized in the negative ion mode. Since the molecular structures of the tested pharmaceuticals did not suggest that negative ion mode would be preferable, this result magnifies the importance of these findings. On the other hand, conventional matrices primarily facilitated the ionization as expected in the positive ion mode, producing either the protonated molecules [M + H]+ or cationic adducts (typically producing complex spectra with numerous adduct peaks). The data presented in this study suggests that these matrices may offer advantages for the analysis of low molecular weight pharmaceuticals/metabolites.

  9. Limit sets for the discrete spectrum of complex Jacobi matrices

    International Nuclear Information System (INIS)

    Golinskii, L B; Egorova, I E

    2005-01-01

    The discrete spectrum of complex Jacobi matrices that are compact perturbations of the discrete Laplacian is studied. The precise stabilization rate (in the sense of order) of the matrix elements ensuring the finiteness of the discrete spectrum is found. An example of a Jacobi matrix with discrete spectrum having a unique limit point is constructed. These results are discrete analogues of Pavlov's well-known results on Schroedinger operators with complex potential on a half-axis.

  10. Procedure for the analysis of americium in complex matrices

    International Nuclear Information System (INIS)

    Knab, D.

    1978-02-01

    A radioanalytical procedure for the analysis of americium in complex matrices has been developed. Clean separations of americium can be obtained from up to 100 g of sample ash, regardless of the starting material. The ability to analyze large masses of material provides the increased sensitivity necessary to detect americium in many environmental samples. The procedure adequately decontaminates from rare earth elements and natural radioactive nuclides that interfere with the alpha spectrometric measurements

  11. Solution of generalized shifted linear systems with complex symmetric matrices

    International Nuclear Information System (INIS)

    Sogabe, Tomohiro; Hoshi, Takeo; Zhang, Shao-Liang; Fujiwara, Takeo

    2012-01-01

    We develop the shifted COCG method [R. Takayama, T. Hoshi, T. Sogabe, S.-L. Zhang, T. Fujiwara, Linear algebraic calculation of Green’s function for large-scale electronic structure theory, Phys. Rev. B 73 (165108) (2006) 1–9] and the shifted WQMR method [T. Sogabe, T. Hoshi, S.-L. Zhang, T. Fujiwara, On a weighted quasi-residual minimization strategy of the QMR method for solving complex symmetric shifted linear systems, Electron. Trans. Numer. Anal. 31 (2008) 126–140] for solving generalized shifted linear systems with complex symmetric matrices that arise from the electronic structure theory. The complex symmetric Lanczos process with a suitable bilinear form plays an important role in the development of the methods. The numerical examples indicate that the methods are highly attractive when the inner linear systems can efficiently be solved.

  12. The complex Laguerre symplectic ensemble of non-Hermitian matrices

    International Nuclear Information System (INIS)

    Akemann, G.

    2005-01-01

    We solve the complex extension of the chiral Gaussian symplectic ensemble, defined as a Gaussian two-matrix model of chiral non-Hermitian quaternion real matrices. This leads to the appearance of Laguerre polynomials in the complex plane and we prove their orthogonality. Alternatively, a complex eigenvalue representation of this ensemble is given for general weight functions. All k-point correlation functions of complex eigenvalues are given in terms of the corresponding skew orthogonal polynomials in the complex plane for finite-N, where N is the matrix size or number of eigenvalues, respectively. We also allow for an arbitrary number of complex conjugate pairs of characteristic polynomials in the weight function, corresponding to massive quark flavours in applications to field theory. Explicit expressions are given in the large-N limit at both weak and strong non-Hermiticity for the weight of the Gaussian two-matrix model. This model can be mapped to the complex Dirac operator spectrum with non-vanishing chemical potential. It belongs to the symmetry class of either the adjoint representation or two colours in the fundamental representation using staggered lattice fermions

  13. Matrices for Sensors from Inorganic, Organic, and Biological Nanocomposites

    Directory of Open Access Journals (Sweden)

    Eugenia Pechkova

    2011-08-01

    Full Text Available Matrices and sensors resulting from inorganic, organic and biological nanocomposites are presented in this overview. The term nanocomposite designates a solid combination of a matrix and of nanodimensional phases differing in properties from the matrix due to dissimilarities in structure and chemistry. The nanoocomposites chosen for a wide variety of health and environment sensors consist of Anodic Porous Allumina and P450scc, Carbon nanotubes and Conductive Polymers, Langmuir Blodgett Films of Lipases, Laccases, Cytochromes and Rhodopsins, Three-dimensional Nanoporous Materials and Nucleic Acid Programmable Protein Arrays.

  14. Flavonoids as matrices for MALDI-TOF mass spectrometric analysis of transition metal complexes

    Science.gov (United States)

    Petkovic, Marijana; Petrovic, Biljana; Savic, Jasmina; Bugarcic, Zivadin D.; Dimitric-Markovic, Jasmina; Momic, Tatjana; Vasic, Vesna

    2010-02-01

    Matrix-assisted laser desorption and ionization time-of-flight mass spectrometry (MALDI-TOF MS) is a suitable method for the analysis of inorganic and organic compounds and biomolecules. This makes MALDI-TOF MS convenient for monitoring the interaction of metallo-drugs with biomolecules. Results presented in this manuscript demonstrate that flavonoids such as apigenin, kaempferol and luteolin are suitable for MALDI-TOF MS analysis of Pt(II), Pd(II), Pt(IV) and Ru(III) complexes, giving different signal-to-noise ratios of the analyte peak. The MALDI-TOF mass spectra of inorganic complexes acquired with these flavonoid matrices are easy to interpret and have some advantages over the application of other commonly used matrices: a low number of matrix peaks are detectable and the coordinative metal-ligand bond is, in most cases, preserved. On the other hand, flavonoids do not act as typical matrices, as their excess is not required for the acquisition of MALDI-TOF mass spectra of inorganic complexes.

  15. Extractive Atmospheric Pressure Photoionization (EAPPI) Mass Spectrometry: Rapid Analysis of Chemicals in Complex Matrices.

    Science.gov (United States)

    Liu, Chengyuan; Yang, Jiuzhong; Wang, Jian; Hu, Yonghua; Zhao, Wan; Zhou, Zhongyue; Qi, Fei; Pan, Yang

    2016-10-01

    Extractive atmospheric pressure photoionization (EAPPI) mass spectrometry was designed for rapid qualitative and quantitative analysis of chemicals in complex matrices. In this method, an ultrasonic nebulization system was applied to sample extraction, nebulization, and vaporization. Mixed with a gaseous dopant, vaporized analytes were ionized through ambient photon-induced ion-molecule reactions, and were mass-analyzed by a high resolution time-of-flight mass spectrometer (TOF-MS). After careful optimization and testing with pure sample solution, EAPPI was successfully applied to the fast screening of capsules, soil, natural products, and viscous compounds. Analysis was completed within a few seconds without the need for preseparation. Moreover, the quantification capability of EAPPI for matrices was evaluated by analyzing six polycyclic aromatic hydrocarbons (PAHs) in soil. The correlation coefficients (R (2) ) for standard curves of all six PAHs were above 0.99, and the detection limits were in the range of 0.16-0.34 ng/mg. In addition, EAPPI could also be used to monitor organic chemical reactions in real time. Graphical Abstract ᅟ.

  16. Conjugate gradient type methods for linear systems with complex symmetric coefficient matrices

    Science.gov (United States)

    Freund, Roland

    1989-01-01

    We consider conjugate gradient type methods for the solution of large sparse linear system Ax equals b with complex symmetric coefficient matrices A equals A(T). Such linear systems arise in important applications, such as the numerical solution of the complex Helmholtz equation. Furthermore, most complex non-Hermitian linear systems which occur in practice are actually complex symmetric. We investigate conjugate gradient type iterations which are based on a variant of the nonsymmetric Lanczos algorithm for complex symmetric matrices. We propose a new approach with iterates defined by a quasi-minimal residual property. The resulting algorithm presents several advantages over the standard biconjugate gradient method. We also include some remarks on the obvious approach to general complex linear systems by solving equivalent real linear systems for the real and imaginary parts of x. Finally, numerical experiments for linear systems arising from the complex Helmholtz equation are reported.

  17. Comparing methods of determining Legionella spp. in complex water matrices.

    Science.gov (United States)

    Díaz-Flores, Álvaro; Montero, Juan Carlos; Castro, Francisco Javier; Alejandres, Eva María; Bayón, Carmen; Solís, Inmaculada; Fernández-Lafuente, Roberto; Rodríguez, Guillermo

    2015-04-29

    .9 and 12.3%, respectively, without any inconclusive results reported for the IMS method. The IMS method generally improved the recovery and detectability of Legionella in environmental matrices, suggesting the possibility to use IMS method as valuable indicator of risk. Thus, this method may significantly improve our knowledge about the exposure risk to these bacteria, allowing us to implement evidence-based monitoring and disinfection strategies.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-01

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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  20. Gas chromatographic isolation of individual compounds from complex matrices for radiocarbon dating.

    Science.gov (United States)

    Eglinton, T I; Aluwihare, L I; Bauer, J E; Druffel, E R; McNichol, A P

    1996-03-01

    This paper describes the application of a novel, practical approach for isolation of individual compounds from complex organic matrices for natural abundance radiocarbon measurement. This is achieved through the use of automated preparative capillary gas chromatography (PCGC) to separate and recover sufficient quantities of individual target compounds for (14)C analysis by accelerator mass spectrometry (AMS). We developed and tested this approach using a suite of samples (plant lipids, petroleums) whose ages spanned the (14)C time scale and which contained a variety of compound types (fatty acids, sterols, hydrocarbons). Comparison of individual compound and bulk radiocarbon signatures for the isotopically homogeneous samples studied revealed that Δ(14)C values generally agreed well (±10%). Background contamination was assessed at each stage of the isolation procedure, and incomplete solvent removal prior to combustion was the only significant source of additional carbon. Isotope fractionation was addressed through compound-specific stable carbon isotopic analyses. Fractionation of isotopes during isolation of individual compounds was minimal (radiocarbon measurements. The addition of carbon accompanying derivatization of functionalized compounds (e.g., fatty acids and sterols) prior to chromatographic separation represents a further source of potential error. This contribution can be removed using a simple isotopic mass balance approach. Based on these preliminary results, the PCGC-based approach holds promise for accurately determining (14)C ages on compounds specific to a given source within complex, heterogeneous samples.

  1. Complex-Valued ABCD Matrices and Speckle Metrology

    DEFF Research Database (Denmark)

    Hanson, Steen Grüner; Jakobsen, Michael Linde; Yura, Harold T.

    2016-01-01

    coherent light sources, optical elements of finite size, and distributed random inhomogeneity along the optical path. In many cases (e.g., laser beam propagation and Gaussian optics) we have been able to derive simple analytical expressions for the optical field quantities at an observation plane. A series......We demonstrate that within the paraxial ray approximation the propagation of light through a complex optical system can be formulated in terms of a Huygens principle expressed with the complete system’s ABCD-matrix elements. As such, propagation through an optical system reduces...... of laser-based optical measurement systems have been analyzed and analytical expressions for their main parameters have been given. Specifically, scattering from rough surfaces not giving rise to a fully developed speckle field, various anemometers and systems for measuring rotational velocity have been...

  2. Diagonalization of complex symmetric matrices: Generalized Householder reflections, iterative deflation and implicit shifts

    Science.gov (United States)

    Noble, J. H.; Lubasch, M.; Stevens, J.; Jentschura, U. D.

    2017-12-01

    We describe a matrix diagonalization algorithm for complex symmetric (not Hermitian) matrices, A ̲ =A̲T, which is based on a two-step algorithm involving generalized Householder reflections based on the indefinite inner product 〈 u ̲ , v ̲ 〉 ∗ =∑iuivi. This inner product is linear in both arguments and avoids complex conjugation. The complex symmetric input matrix is transformed to tridiagonal form using generalized Householder transformations (first step). An iterative, generalized QL decomposition of the tridiagonal matrix employing an implicit shift converges toward diagonal form (second step). The QL algorithm employs iterative deflation techniques when a machine-precision zero is encountered "prematurely" on the super-/sub-diagonal. The algorithm allows for a reliable and computationally efficient computation of resonance and antiresonance energies which emerge from complex-scaled Hamiltonians, and for the numerical determination of the real energy eigenvalues of pseudo-Hermitian and PT-symmetric Hamilton matrices. Numerical reference values are provided.

  3. Raven’s Progressive Matrices, manipulations of complexity and measures of accuracy, speed and confidence

    OpenAIRE

    LAZAR STANKOV; KARL SCHWEIZER

    2007-01-01

    This paper examines the effects of complexity-enhancing manipulations of two cognitive tasks – Swaps and Triplet Numbers tests (Stankov, 2000) – on their relationship with Raven’s Progressive Matrices test representing aspects of fluid intelligence. The complexity manipulations involved four treatment levels, each requiring an increasing number of components and relationships among these components. The accuracy, speed of processing, and confidence measures were decomposed into experimental a...

  4. Fast heap transform-based QR-decomposition of real and complex matrices: algorithms and codes

    Science.gov (United States)

    Grigoryan, Artyom M.

    2015-03-01

    In this paper, we describe a new look on the application of Givens rotations to the QR-decomposition problem, which is similar to the method of Householder transformations. We apply the concept of the discrete heap transform, or signal-induced unitary transforms which had been introduced by Grigoryan (2006) and used in signal and image processing. Both cases of real and complex nonsingular matrices are considered and examples of performing QR-decomposition of square matrices are given. The proposed method of QR-decomposition for the complex matrix is novel and differs from the known method of complex Givens rotation and is based on analytical equations for the heap transforms. Many examples illustrated the proposed heap transform method of QR-decomposition are given, algorithms are described in detail, and MATLAB-based codes are included.

  5. Modified gum Arabic hydrogels as matrices for controlled release of curcumin supramolecular complexes

    International Nuclear Information System (INIS)

    Gerola, Adriana P.; Silva, Danielle C.; Rubira, Adley F.; Muniz, Edvani C.

    2015-01-01

    Modified gum Arabic (GA) hydrogels show a pH-responsive behavior making them excellent matrices to be used for oral administration of drugs. Our goal is to study the behavior of those matrices in simulated gastric and intestinal fluids. In this work we will present how the methacrylation degree of GA, by using glycidyl methacrylate, can affect the properties of these hydrogels for controlled release. The drug used in this work is the curcumin (Cur). Cur is associated with numerous pharmacological activities, but their application is limited by the low water solubility. We will present some studies involving the formation of host-guest complexes between Cur and natural cyclodextrins. Both modified GA and hydrogels were characterized by different techniques. The kinetics release of Cur complex-containing modified GA hydrogels was studied to have an insight on the release mechanism and rate constants. Toxicity studies on undifferentiated and differentiated Caco-2 were also carried out. (author)

  6. On the mean density of complex eigenvalues for an ensemble of random matrices with prescribed singular values

    International Nuclear Information System (INIS)

    Wei Yi; Fyodorov, Yan V

    2008-01-01

    Given any fixed N x N positive semi-definite diagonal matrix G ≥ 0 we derive the explicit formula for the density of complex eigenvalues for random matrices A of the form A=U√G where the random unitary matrices U are distributed on the group U(N) according to the Haar measure. (fast track communication)

  7. Subcritical-Water Extraction of Organics from Solid Matrices

    Science.gov (United States)

    Amashukeli, Xenia; Grunthaner, Frank; Patrick, Steven; Kirby, James; Bickler, Donald; Willis, Peter; Pelletier, Christine; Bryson, Charles

    2009-01-01

    An apparatus for extracting organic compounds from soils, sands, and other solid matrix materials utilizes water at subcritical temperature and pressure as a solvent. The apparatus, called subcritical water extractor (SCWE), is a prototype of subsystems of future instrumentation systems to be used in searching for organic compounds as signs of past or present life on Mars. An aqueous solution generated by an apparatus like this one can be analyzed by any of a variety of established chromatographic or spectroscopic means to detect the dissolved organic compound( s). The apparatus can be used on Earth: indeed, in proof-of-concept experiments, SCWE was used to extract amino acids from soils of the Atacama Desert (Chile), which was chosen because the dryness and other relevant soil conditions there approximate those on Mars. The design of the apparatus is based partly on the fact that the relative permittivity (also known as the dielectric constant) of liquid water varies with temperature and pressure. At a temperature of 30 C and a pressure of 0.1 MPa, the relative permittivity of water is 79.6, due to the strong dipole-dipole electrostatic interactions between individual molecular dipoles. As the temperature increases, increasing thermal energy causes increasing disorientation of molecular dipoles, with a consequent decrease in relative permittivity. For example, water at a temperature of 325 C and pressure of 20 MPa has a relative permittivity of 17.5, which is similar to the relative permittivities of such nonpolar organic solvents as 1-butanol (17.8). In the operation of this apparatus, the temperature and pressure of water are adjusted so that the water can be used in place of commonly used organic solvents to extract compounds that have dissimilar physical and chemical properties.

  8. Radiation-induced transformations of isolated organic molecules in solid rare gas matrices

    International Nuclear Information System (INIS)

    Feldman, V.I.

    1998-01-01

    Complete text of publication follows. The studies of radiation-chemical behaviour of isolated organic molecules in rigid inert media are of considerable interest for radiation chemistry and general structural chemistry. Previous efforts were limited to the ESR studies of radicals resulting from some small hydrocarbon molecules in frozen rare gas solutions. Recently, we developed an approach to the radiation chemistry of isolated organic molecules using classic matrix isolation procedure for sample preparation and a combination of ESR and IR spectroscopy for characterization of paramagnetic and diamagnetic species resulting form electron irradiation or organic molecules in solid rare gas matrices at 10-15 K. The results obtained reveal high efficiency of energy transfer from rare gas matrix to organic molecules. The total radiation-chemical yields of degradation of organic molecules in argon and xenon matrices were measured directly by IR spectroscopy. The studies of the effect of electron scavengers on the radiolysis of organic molecules in solid rare gases show that the main primary process is positive hole transfer from matrix to additive molecule. ESR spectra of a number of radical cations (alkanes, ethers, arenes) were first characterized in a low-disturbing environment. It was found that the electronic characteristics (IP, polarizability) of the matrix used had crucial effect on trapping and degradation of primary organic radical cations. Using matrices with various IP provides an unique possibility to examine the chemical meaning of excess energy resulting from exothermic positive hole transfer, that is, to follow the fate of excited cations in condensed phase

  9. The Nanomechanics of Biomineralized Soft-Tissues and Organic Matrices

    Science.gov (United States)

    Bezares-Chavez, Jiddu

    The research reported on in this dissertation is concerned with the macro-molecular constitution and geometrical organization of the soft-tissue comprising the matrix of the nacreous portion of the shell of Haliotis rufescens, the Red abalone. Nacre is one of literally legions of intricate biomineralized structures that exist in nature and has long served as a paradigm for elegant and optimized structural de-sign. Biomineralization involves, inter alia, the uptake and synthesis of elements and compounds from the environment and their incorporation into highly optimized functional structures. Nacre has a structure described as a brick wall like with a matrix of biopolymer layers that are preformed and serve as a template into which nanocrystalline tiles of CaCO3 precipitate. The matrix, or what are known as inter-lamellar layers, are of particular interest as they impart both toughness and strength to the composite ceramic nacre structure. The work first involved a histochemical mapping of the macromolecular structure of the interlamellar layers; this revealed the locations of proteins and functional molecular groups that serve as nucleation sites for the ceramic tiles. Parallel studies on the nacre of Nautilus pompilius, the Chambered Nautilus, revealed the generality of the findings. Of particular interest was determining both the content and layout of chitin within these layers. In fact it was determined that chitin was organized as mostly unidirectional architecture of fibrils, with a certain fraction of fibrils laying at cross directions. Most remarkably, it was found that the fibrils possessed a very long range connectivity that spanned many tiles. This was determined by systematic atomic force (afm) and analytical optical histochemical microscopy. These findings were further verified by a unique form of mechanical testing whereby tensile testing was conducted on groups of interlamellar layers extracted from nacre. Mechanical testing led to a quantitative

  10. Biochemical Composition and Assembly of Biosilica-associated Insoluble Organic Matrices from the Diatom Thalassiosira pseudonana.

    Science.gov (United States)

    Kotzsch, Alexander; Pawolski, Damian; Milentyev, Alexander; Shevchenko, Anna; Scheffel, André; Poulsen, Nicole; Shevchenko, Andrej; Kröger, Nils

    2016-03-04

    The nano- and micropatterned biosilica cell walls of diatoms are remarkable examples of biological morphogenesis and possess highly interesting material properties. Only recently has it been demonstrated that biosilica-associated organic structures with specific nanopatterns (termed insoluble organic matrices) are general components of diatom biosilica. The model diatom Thalassiosira pseudonana contains three types of insoluble organic matrices: chitin meshworks, organic microrings, and organic microplates, the latter being described in the present study for the first time. To date, little is known about the molecular composition, intracellular assembly, and biological functions of organic matrices. Here we have performed structural and functional analyses of the organic microrings and organic microplates from T. pseudonana. Proteomics analysis yielded seven proteins of unknown function (termed SiMat proteins) together with five known silica biomineralization proteins (four cingulins and one silaffin). The location of SiMat1-GFP in the insoluble organic microrings and the similarity of tyrosine- and lysine-rich functional domains identifies this protein as a new member of the cingulin protein family. Mass spectrometric analysis indicates that most of the lysine residues of cingulins and the other insoluble organic matrix proteins are post-translationally modified by short polyamine groups, which are known to enhance the silica formation activity of proteins. Studies with recombinant cingulins (rCinY2 and rCinW2) demonstrate that acidic conditions (pH 5.5) trigger the assembly of mixed cingulin aggregates that have silica formation activity. Our results suggest an important role for cingulins in the biogenesis of organic microrings and support the hypothesis that this type of insoluble organic matrix functions in biosilica morphogenesis. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  11. Spectral correlation functions of the sum of two independent complex Wishart matrices with unequal covariances

    International Nuclear Information System (INIS)

    Akemann, Gernot; Checinski, Tomasz; Kieburg, Mario

    2016-01-01

    We compute the spectral statistics of the sum H of two independent complex Wishart matrices, each of which is correlated with a different covariance matrix. Random matrix theory enjoys many applications including sums and products of random matrices. Typically ensembles with correlations among the matrix elements are much more difficult to solve. Using a combination of supersymmetry, superbosonisation and bi-orthogonal functions we are able to determine all spectral k -point density correlation functions of H for arbitrary matrix size N . In the half-degenerate case, when one of the covariance matrices is proportional to the identity, the recent results by Kumar for the joint eigenvalue distribution of H serve as our starting point. In this case the ensemble has a bi-orthogonal structure and we explicitly determine its kernel, providing its exact solution for finite N . The kernel follows from computing the expectation value of a single characteristic polynomial. In the general non-degenerate case the generating function for the k -point resolvent is determined from a supersymmetric evaluation of the expectation value of k ratios of characteristic polynomials. Numerical simulations illustrate our findings for the spectral density at finite N and we also give indications how to do the asymptotic large- N analysis. (paper)

  12. Melting Behavior of Organic Nanocrystals Grown in Sol-gel Matrices

    International Nuclear Information System (INIS)

    Sanz, N.; Boudet, A.; Ibanez, A.

    2002-01-01

    We have characterized the thermal stability of organic nanocrystals grown in the pores of sol-gel matrices. The structure has been measured with transmission electron microscopy (TEM) analysis. Depending on the nature of organic molecules and sol-gel matrices, we have modified the dye-matrix interactions and the interfacial structure between nanocrystals and gel-glasses. When the dye-matrix interactions are weak (Van der Waals' bonds), the corresponding interfacial structure observed by TEM is sharp and the nanocrystals melt below the bulk melting point. On the other hand, when the dye-matrix interactions are strong (hydrogen bonds), the interfacial structure is fuzzy and a great superheating of organic nanocrystals is observed in comparison to the bulk melting point of the dye

  13. Control in Complex Organizations

    DEFF Research Database (Denmark)

    Rennstam, Jens; Kärreman, Dan

    The extant research on organizational control builds on the assumption of vertical control – managers are thought to develop orders, rules and norms to control the operating core. Yet it is claimed that work becomes increasingly “knowledge intensive” and that organizations rely heavily for their ......The extant research on organizational control builds on the assumption of vertical control – managers are thought to develop orders, rules and norms to control the operating core. Yet it is claimed that work becomes increasingly “knowledge intensive” and that organizations rely heavily...... for their productivity on the knowledge and creativity of their work force. In this type of “knowledge work,” the strong focus on vertical control is insufficient as it fails to account for the important operative and horizontal interactions upon which many contemporary organizations depend. Drawing on practice theory...... and an ethnographic study of engineering work, this paper theorizes control as a form of work that does not only belong to formal management, but is dispersed among various work activities, including horizontal ones. The article introduces the idea of control work as a key practice in contemporary organizations...

  14. Organization of complex networks

    Science.gov (United States)

    Kitsak, Maksim

    Many large complex systems can be successfully analyzed using the language of graphs and networks. Interactions between the objects in a network are treated as links connecting nodes. This approach to understanding the structure of networks is an important step toward understanding the way corresponding complex systems function. Using the tools of statistical physics, we analyze the structure of networks as they are found in complex systems such as the Internet, the World Wide Web, and numerous industrial and social networks. In the first chapter we apply the concept of self-similarity to the study of transport properties in complex networks. Self-similar or fractal networks, unlike non-fractal networks, exhibit similarity on a range of scales. We find that these fractal networks have transport properties that differ from those of non-fractal networks. In non-fractal networks, transport flows primarily through the hubs. In fractal networks, the self-similar structure requires any transport to also flow through nodes that have only a few connections. We also study, in models and in real networks, the crossover from fractal to non-fractal networks that occurs when a small number of random interactions are added by means of scaling techniques. In the second chapter we use k-core techniques to study dynamic processes in networks. The k-core of a network is the network's largest component that, within itself, exhibits all nodes with at least k connections. We use this k-core analysis to estimate the relative leadership positions of firms in the Life Science (LS) and Information and Communication Technology (ICT) sectors of industry. We study the differences in the k-core structure between the LS and the ICT sectors. We find that the lead segment (highest k-core) of the LS sector, unlike that of the ICT sector, is remarkably stable over time: once a particular firm enters the lead segment, it is likely to remain there for many years. In the third chapter we study how

  15. Effect of molecular structure on fragmentation of isolated organic molecules in solid rare gas matrices

    International Nuclear Information System (INIS)

    Kobrazenko, A.V.; Sukhov, F.F.; Orlov, A.Yu.; Kovalev, G.V.; Baranova, I.A.; Feldman, V.I.

    2011-01-01

    Complete text of publication follows. Elucidation of high-energy reaction pathways in the condensed phase is an important issue for basic understanding of the radiation stability of complex organic molecules. As was shown previously, organic radical cations (RC) may undergo fragmentation or rearrangement in solid matrices due to excess energy. The probability of this process depends on both ionization potential (IP) of the molecule and molecular structure. In the present work we have studied the role of 'hot' ionic reaction channels for RC of some bifunctional compounds and alkynes. The effect of excess energy was simulated by matrix isolation method as described in detail earlier. The formation of fragmentation products was monitored by EPR and FTIR spectroscopy. In the present work it was shown that the RC of bifunctional compounds (CH 3 OCH 2 COCH 3 , CH 3 CO(CH 2 ) n COCH 3 , n 0/2) dissociated efficiently producing · CH 3 radicals upon irradiation in solid argon matrix at T ≤ 16 K. The probability of fragmentation decreases with decrease of excess energy by switching from Ar to Xe. It is worth noting that acetone RC does not show fragmentation under these conditions. Thus, bifunctional molecules were found to be less stable to 'hot' ionic fragmentation in low-temperature solids in comparison with simple prototype carbonyl compounds. In the case of alkynes of the R-C ≡ CH type, a noticeable yield of fragmentation products was observed when R = -C(CH 3 ) 3 , but it was negligible for R = -CH 3 . It means that the presence of triple bond stabilizes the molecular skeleton of linear alkynes toward 'hot' fragmentation, similarly as it was shown for alkenes. The mechanisms of 'hot' reactions and excess energy relaxation are discussed. This work was supported by the Russian Foundation for Basic Research (project 09-03-00848a).

  16. Quantitative on-line analysis of sulfur compounds in complex hydrocarbon matrices.

    Science.gov (United States)

    Djokic, Marko R; Ristic, Nenad D; Olahova, Natalia; Marin, Guy B; Van Geem, Kevin M

    2017-08-04

    An improved method for on-line measurement of sulfur containing compounds in complex matrices is presented. The on-line system consists of a specifically designed sampling system connected to a comprehensive two-dimensional gas chromatograph (GC×GC) equipped with two capillary columns (Rtx ® -1 PONA×SGE BPX50), a flame ionization detector (FID) and a sulfur chemiluminescence detector (SCD). The result is an unprecedented sensitivity down to ppm level (1 ppm-w) for various sulfur containing compounds in very complex hydrocarbon matrices. In addition to the GC×GC-SCD, the low molecular weight sulfur containing compounds such as hydrogen sulfide (H 2 S) and carbonyl sulfide (COS) can be analyzed using a thermal conductivity detector of a so-called refinery gas analyzer (RGA). The methodology was extensively tested on a continuous flow pilot plant for steam cracking, in which quantification of sulfur containing compounds in the reactor effluent was carried out using 3-chlorothiophene as internal standard. The GC×GC-FID/-SCD settings were optimized for ppm analysis of sulfur compounds in olefin-rich (ethylene- and propylene-rich) hydrocarbon matrices produced by steam cracking of petroleum feedstocks. Besides that is primarily used for analysis of the hydrocarbon matrix, FID of the GC×GC-FID/-SCD set-up serves to double check the amount of added sulfur internal standard which is crucial for a proper quantification of sulfur compounds. When vacuum gas oil containing 780 ppm-w of elemental sulfur in the form of benzothiophenes and dibenzothiophenes is subjected to steam cracking, the sulfur balance was closed, with 75% of the sulfur contained in the feed is converted to hydrogen sulfide, 13% to alkyl homologues of thiophene while the remaining 12% is present in the form of alkyl homologues of benzothiophenes. The methodology can be applied for many other conversion processes which use sulfur containing feeds such as hydrocracking, catalytic cracking, kerogen

  17. Integrating Nonadditive Genomic Relationship Matrices into the Study of Genetic Architecture of Complex Traits.

    Science.gov (United States)

    Nazarian, Alireza; Gezan, Salvador A

    2016-03-01

    The study of genetic architecture of complex traits has been dramatically influenced by implementing genome-wide analytical approaches during recent years. Of particular interest are genomic prediction strategies which make use of genomic information for predicting phenotypic responses instead of detecting trait-associated loci. In this work, we present the results of a simulation study to improve our understanding of the statistical properties of estimation of genetic variance components of complex traits, and of additive, dominance, and genetic effects through best linear unbiased prediction methodology. Simulated dense marker information was used to construct genomic additive and dominance matrices, and multiple alternative pedigree- and marker-based models were compared to determine if including a dominance term into the analysis may improve the genetic analysis of complex traits. Our results showed that a model containing a pedigree- or marker-based additive relationship matrix along with a pedigree-based dominance matrix provided the best partitioning of genetic variance into its components, especially when some degree of true dominance effects was expected to exist. Also, we noted that the use of a marker-based additive relationship matrix along with a pedigree-based dominance matrix had the best performance in terms of accuracy of correlations between true and estimated additive, dominance, and genetic effects. © The American Genetic Association 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  18. On conjugate gradient type methods and polynomial preconditioners for a class of complex non-Hermitian matrices

    Science.gov (United States)

    Freund, Roland

    1988-01-01

    Conjugate gradient type methods are considered for the solution of large linear systems Ax = b with complex coefficient matrices of the type A = T + i(sigma)I where T is Hermitian and sigma, a real scalar. Three different conjugate gradient type approaches with iterates defined by a minimal residual property, a Galerkin type condition, and an Euclidian error minimization, respectively, are investigated. In particular, numerically stable implementations based on the ideas behind Paige and Saunder's SYMMLQ and MINRES for real symmetric matrices are proposed. Error bounds for all three methods are derived. It is shown how the special shift structure of A can be preserved by using polynomial preconditioning. Results on the optimal choice of the polynomial preconditioner are given. Also, some numerical experiments for matrices arising from finite difference approximations to the complex Helmholtz equation are reported.

  19. Hazardous gas production by alpha particles in solid organic transuranic waste matrices. 1998 annual progress report

    International Nuclear Information System (INIS)

    LaVerne, J.A.

    1998-01-01

    'This project uses fundamental radiation chemical techniques to elucidate the basic processes occurring in the heavy-ion radiolysis of solid hydrocarbon matrices such as polymers and organic resins that are associated with many of the transuranic waste deposits or the transportation of these radionuclides. The environmental management of mixed waste containing transuranic radionuclides is difficult because these nuclides are alpha particle emitters and the energy deposited by the alpha particles causes chemical transformations in the matrices accompanying the waste. Most radiolysis programs focus on conventional radiation such as gamma rays, but the chemical changes induced by alpha particles and other heavy ions are typically very different and product yields can vary by more than an order of magnitude. The objective of this research is to measure the production of gases, especially molecular hydrogen, produced in the proton, helium ion, and carbon ion radiolysis of selected solid organic matrices in order to obtain fundamental mechanistic information on the radiolytic decomposition of these materials. This knowledge can also be used to directly give reasonable estimates of explosive or flammability hazards in the storage or transport of transuranic wastes in order to enhance the safety of DOE sites. This report summarizes the work after eight months of a three-year project on determining the production of hazardous gases in transuranic waste. The first stage of the project was to design and build an assembly to irradiate solid organic matrices using accelerated ion beams. It is necessary to measure absolute radiolytic yields, and simulate some of the conditions found in the field. A window assembly was constructed allowing the beam to pass consecutively through a collimator, a vacuum exit window and into the solid sample. The beam is stopped in the sample and the entire end of the assembly is a Faraday cup. Integration of the collected current, in conjunction

  20. Fibroblast Cluster Formation on 3D Collagen Matrices Requires Cell Contraction-Dependent Fibronectin Matrix Organization

    Science.gov (United States)

    da Rocha-Azevedo, Bruno; Ho, Chin-Han; Grinnell, Frederick

    2012-01-01

    Fibroblasts incubated on 3D collagen matrices in serum or lysophosphatidic acid (LPA)-containing medium self-organize into clusters through a mechanism that requires cell contraction. However, in platelet-derived growth factor (PDGF)-containing medium, cells migrate as individuals and do not form clusters even though they constantly encounter each other. Here, we present evidence that a required function of cell contraction in clustering is formation of fibronectin fibrillar matrix. We found that in serum or LPA but not in PDGF or basal medium, cells organized FN (both serum and cellular) into a fibrillar, detergent-insoluble matrix. Cell clusters developed concomitant with FN matrix formation. FN fibrils accumulated beneath cells and along the borders of cell clusters in regions of cell-matrix tension. Blocking Rho kinase or myosin II activity prevented FN matrix assembly and cell clustering. Using siRNA silencing and function-blocking antibodies and peptides, we found that cell clustering and FN matrix assembly required α5β1 integrins and fibronectin. Cells were still able to exert contractile force and compact the collagen matrix under the latter conditions, which showed that contraction was not sufficient for cell clustering to occur. Our findings provide new insights into how procontractile (serum/LPA) and promigratory (PDGF) growth factor environments can differentially regulate FN matrix assembly by fibroblasts interacting with collagen matrices and thereby influence mesenchymal cell morphogenetic behavior under physiologic circumstances such as wound repair, morphogenesis and malignancy. PMID:23117111

  1. Fibroblast cluster formation on 3D collagen matrices requires cell contraction dependent fibronectin matrix organization.

    Science.gov (United States)

    da Rocha-Azevedo, Bruno; Ho, Chin-Han; Grinnell, Frederick

    2013-02-15

    Fibroblasts incubated on 3D collagen matrices in serum or lysophosphatidic acid (LPA)-containing medium self-organize into clusters through a mechanism that requires cell contraction. However, in platelet-derived growth factor (PDGF)-containing medium, cells migrate as individuals and do not form clusters even though they constantly encounter each other. Here, we present evidence that a required function of cell contraction in clustering is formation of fibronectin (FN) fibrillar matrix. We found that in serum or LPA but not in PDGF or basal medium, cells organized FN (both serum and cellular) into a fibrillar, detergent-insoluble matrix. Cell clusters developed concomitant with FN matrix formation. FN fibrils accumulated beneath cells and along the borders of cell clusters in regions of cell-matrix tension. Blocking Rho kinase or myosin II activity prevented FN matrix assembly and cell clustering. Using siRNA silencing and function-blocking antibodies and peptides, we found that cell clustering and FN matrix assembly required α5β1 integrins and fibronectin. Cells were still able to exert contractile force and compact the collagen matrix under the latter conditions, which showed that contraction was not sufficient for cell clustering to occur. Our findings provide new insights into how procontractile (serum/LPA) and promigratory (PDGF) growth factor environments can differentially regulate FN matrix assembly by fibroblasts interacting with collagen matrices and thereby influence mesenchymal cell morphogenetic behavior under physiologic circumstances such as wound repair, morphogenesis and malignancy. Copyright © 2012 Elsevier Inc. All rights reserved.

  2. Application of the threshold of toxicological concern (TTC) concept to the safety assessment of chemically complex food matrices

    NARCIS (Netherlands)

    Rennen, M.A.J.; Koster, S.; Krul, C.A.M.; Houben, G.F.

    2011-01-01

    The toxicological assessment of chemically complex food matrices (CCFM) usually is very time consuming, expensive and uses many animal studies. Improvements to obtain a more efficient assessment process remain limited as long as we retain traditional approaches to toxicological risk assessment. New

  3. Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: A tutorial review. Part I. Theoretical considerations

    International Nuclear Information System (INIS)

    Leclercq, Amélie; Nonell, Anthony; Todolí Torró, José Luis; Bresson, Carole; Vio, Laurent; Vercouter, Thomas; Chartier, Frédéric

    2015-01-01

    Highlights: • Tutorial review addressed to beginners or more experienced analysts. • Theoretical background of effects caused by organic matrices on ICP techniques. • Spatial distribution of carbon species and analytes in plasma. • Carbon spectroscopic and non-spectroscopic interferences in ICP. - Abstract: Due to their outstanding analytical performances, inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are widely used for multi-elemental measurements and also for isotopic characterization in the case of ICP-MS. While most studies are carried out in aqueous matrices, applications involving organic/hydro-organic matrices become increasingly widespread. This kind of matrices is introduced in ICP based instruments when classical “matrix removal” approaches such as acid digestion or extraction procedures cannot be implemented. Due to the physico-chemical properties of organic/hydro-organic matrices and their associated effects on instrumentation and analytical performances, their introduction into ICP sources is particularly challenging and has become a full topic. In this framework, numerous theoretical and phenomenological studies of these effects have been performed in the past, mainly by ICP-OES, while recent literature is more focused on applications and associated instrumental developments. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP-OES and ICP-MS. The present Part I, provides theoretical considerations in connection with the physico-chemical properties of organic/hydro-organic matrices, in order to better understand the induced phenomena. This focal point is divided in four chapters highlighting: (i) the impact of organic/hydro-organic matrices from aerosol generation to atomization/excitation/ionization processes; (ii) the production of carbon molecular constituents and their spatial distribution in the

  4. Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: A tutorial review. Part I. Theoretical considerations

    Energy Technology Data Exchange (ETDEWEB)

    Leclercq, Amélie, E-mail: amelie.leclercq@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Nonell, Anthony, E-mail: anthony.nonell@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Todolí Torró, José Luis, E-mail: jose.todoli@ua.es [Universidad de Alicante, Departamento de Quimica Analitica, Nutricion y Bromatología, Ap. de Correos, 99, 03080 Alicante (Spain); Bresson, Carole, E-mail: carole.bresson@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Vio, Laurent, E-mail: laurent.vio@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Vercouter, Thomas, E-mail: thomas.vercouter@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Chartier, Frédéric, E-mail: frederic.chartier@cea.fr [CEA Saclay, DEN, DANS, DPC, 91191 Gif-sur-Yvette (France)

    2015-07-23

    Highlights: • Tutorial review addressed to beginners or more experienced analysts. • Theoretical background of effects caused by organic matrices on ICP techniques. • Spatial distribution of carbon species and analytes in plasma. • Carbon spectroscopic and non-spectroscopic interferences in ICP. - Abstract: Due to their outstanding analytical performances, inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are widely used for multi-elemental measurements and also for isotopic characterization in the case of ICP-MS. While most studies are carried out in aqueous matrices, applications involving organic/hydro-organic matrices become increasingly widespread. This kind of matrices is introduced in ICP based instruments when classical “matrix removal” approaches such as acid digestion or extraction procedures cannot be implemented. Due to the physico-chemical properties of organic/hydro-organic matrices and their associated effects on instrumentation and analytical performances, their introduction into ICP sources is particularly challenging and has become a full topic. In this framework, numerous theoretical and phenomenological studies of these effects have been performed in the past, mainly by ICP-OES, while recent literature is more focused on applications and associated instrumental developments. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP-OES and ICP-MS. The present Part I, provides theoretical considerations in connection with the physico-chemical properties of organic/hydro-organic matrices, in order to better understand the induced phenomena. This focal point is divided in four chapters highlighting: (i) the impact of organic/hydro-organic matrices from aerosol generation to atomization/excitation/ionization processes; (ii) the production of carbon molecular constituents and their spatial distribution in the

  5. QSAR models for the removal of organic micropollutants in four different river water matrices

    KAUST Repository

    Sudhakaran, Sairam

    2012-04-01

    Ozonation is an advanced water treatment process used to remove organic micropollutants (OMPs) such as pharmaceuticals and personal care products (PPCPs). In this study, Quantitative Structure Activity Relationship (QSAR) models, for ozonation and advanced oxidation process (AOP), were developed with percent-removal of OMPs by ozonation as the criterion variable. The models focused on PPCPs and pesticides elimination in bench-scale studies done within natural water matrices: Colorado River, Passaic River, Ohio River and Suwannee synthetic water. The OMPs removal for the different water matrices varied depending on the water quality conditions such as pH, DOC, alkalinity. The molecular descriptors used to define the OMPs physico-chemical properties range from one-dimensional (atom counts) to three-dimensional (quantum-chemical). Based on a statistical modeling approach using more than 40 molecular descriptors as predictors, descriptors influencing ozonation/AOP were chosen for inclusion in the QSAR models. The modeling approach was based on multiple linear regression (MLR). Also, a global model based on neural networks was created, compiling OMPs from all the four river water matrices. The chemically relevant molecular descriptors involved in the QSAR models were: energy difference between lowest unoccupied and highest occupied molecular orbital (E LUMO-E HOMO), electron-affinity (EA), number of halogen atoms (#X), number of ring atoms (#ring atoms), weakly polar component of the solvent accessible surface area (WPSA) and oxygen to carbon ratio (O/C). All the QSAR models resulted in a goodness-of-fit, R 2, greater than 0.8. Internal and external validations were performed on the models. © 2011 Elsevier Ltd.

  6. Configuration of organic dye excimers in nanoporous SiO2 matrices

    International Nuclear Information System (INIS)

    Sorokin, A.V.; Gnap, B.A.; Bespalova, I.I.; Yefimova, S.L.; Malyukin, Yu.V.

    2016-01-01

    The effect of cyanine dye 3,3′-dioctadecyloxacarbocyanine perchlorate (DiO) and benzimidazole dye 4-dimethylamino-1,8-naphthoylene-1′,2′-benzimidazole (DNBI) accumulation in nanoporous silica matrices on the dyes luminescence properties has been studied. For both dyes, ground state dimer formation with perpendicular transition dipoles at high dye concentrations has been considered as a result of restricted geometry of the nanoscale pores. The dimer excitation leads to excimer formation revealing by appearance of new long-wavelength luminescence band and shortening the dye luminescence lifetime. In the excimer luminescence excitation spectra two additional bands have been observed, one of which is bathochromically shifted relatively to the absorption band and another one is hypsocromically shifted. Using the Kasha exciton model it was shown that the excimers possess oblique transition dipoles configuration. - Highlights: • Organic dye molecules are efficiently accumulated in nanoporous silica matrices. • Restricted geometry of SiO 2 nanopores provokes excimerization of both cyanine and benzimidazole dyes. • The excimers reveal configuration of oblique dimers. • The excimers are originated from ground state dimers with a perpendicular arrangement of transition dipoles.

  7. Review of analytical methods for the quantification of iodine in complex matrices

    Energy Technology Data Exchange (ETDEWEB)

    Shelor, C. Phillip [Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX 76019-0065 (United States); Dasgupta, Purnendu K., E-mail: Dasgupta@uta.edu [Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX 76019-0065 (United States)

    2011-09-19

    Highlights: {yields} We focus on iodine in biological samples, notably urine and milk. {yields} Sample preparation and the Sandell-Kolthoff method are extensively discussed. - Abstract: Iodine is an essential element of human nutrition. Nearly a third of the global population has insufficient iodine intake and is at risk of developing Iodine Deficiency Disorders (IDD). Most countries have iodine supplementation and monitoring programs. Urinary iodide (UI) is the biomarker used for epidemiological studies; only a few methods are currently used routinely for analysis. These methods either require expensive instrumentation with qualified personnel (inductively coupled plasma-mass spectrometry, instrumental nuclear activation analysis) or oxidative sample digestion to remove potential interferences prior to analysis by a kinetic colorimetric method originally introduced by Sandell and Kolthoff {approx}75 years ago. The Sandell-Kolthoff (S-K) method is based on the catalytic effect of iodide on the reaction between Ce{sup 4+} and As{sup 3+}. No available technique fully fits the needs of developing countries; research into inexpensive reliable methods and instrumentation are needed. There have been multiple reviews of methods used for epidemiological studies and specific techniques. However, a general review of iodine determination on a wide-ranging set of complex matrices is not available. While this review is not comprehensive, we cover the principal developments since the original development of the S-K method.

  8. Determination of low chloride values in Rocky Flats scrub alloy solutions and other complex matrices

    International Nuclear Information System (INIS)

    Holcomb, H.P.

    1985-01-01

    A turbidimetric method, using silver chloride, has been developed to determine low ppM quantities of chloride in Rocky Flats scrub alloy (RFSA) dissolver solutions. This analytical technique has also been applied to other complex matrices such as process 50% caustic and neutralized Purex low heat liquid waste concentrate. A controlled-pH precipitation with NaOH, during which chloride remains in solution, is used to pretreat samples to minimize salt effects from acids, bases, and/or hydrolyzable ions. Control of pH with bromocresol purple indicator also provides a more consistent pH for silver chloride formation, aiding in turbidity reproducibility. Disodium ethylenediaminetetraacetic acid is employed to negate covalent bonding by Hg(II) with chloride. The average standard deviation was +-17% for turbidity reproducibility in simulated sample aliquots containing a total of 10 to 100 μg chloride. For actual RFSA samples, the relative standard deviation ranged from +-14% to +-26%, depending on initial chloride values. 8 refs., 1 fig

  9. Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: A tutorial review. Part II. Practical considerations

    International Nuclear Information System (INIS)

    Leclercq, Amélie; Nonell, Anthony; Todolí Torró, José Luis; Bresson, Carole; Vio, Laurent; Vercouter, Thomas; Chartier, Frédéric

    2015-01-01

    Graphical abstract: This tutorial review is dedicated to the analysis of organic/hydro-organic matrices by ICP techniques. A state-of-the-art focusing on sample introduction, relevant operating parameters optimization and analytical strategies for elemental quantification is provided. - Highlights: • Practical considerations to perform analyses in organic/hydro-organic matrices. • Description, benefits and drawbacks of recent introduction devices. • Optimization to improve plasma tolerance towards organic/hydro-organic matrices. • Analytical strategies for elemental quantification in organic/hydro-organic matrices. - Abstract: Inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are increasingly used to carry out analyses in organic/hydro-organic matrices. The introduction of such matrices into ICP sources is particularly challenging and can be the cause of numerous drawbacks. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP sources. Part I provided theoretical considerations associated with the physico-chemical properties of such matrices, in an attempt to understand the induced phenomena. Part II of this tutorial review is dedicated to more practical considerations on instrumentation, instrumental and operating parameters, as well as analytical strategies for elemental quantification in such matrices. Two important issues are addressed in this part: the first concerns the instrumentation and optimization of instrumental and operating parameters, pointing out (i) the description, benefits and drawbacks of different kinds of nebulization and desolvation devices and the impact of more specific instrumental parameters such as the injector characteristics and the material used for the cone; and, (ii) the optimization of operating parameters, for both ICP-OES and ICP-MS. Even if it is at the margin of this tutorial review

  10. Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: A tutorial review. Part II. Practical considerations

    Energy Technology Data Exchange (ETDEWEB)

    Leclercq, Amélie, E-mail: amelie.leclercq@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Nonell, Anthony, E-mail: anthony.nonell@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Todolí Torró, José Luis, E-mail: jose.todoli@ua.es [Universidad de Alicante, Departamento de Quimica Analitica, Nutricion y Bromatología, Ap. de Correos, 99, 03080 Alicante (Spain); Bresson, Carole, E-mail: carole.bresson@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Vio, Laurent, E-mail: laurent.vio@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Vercouter, Thomas, E-mail: thomas.vercouter@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Chartier, Frédéric, E-mail: frederic.chartier@cea.fr [CEA Saclay, DEN, DANS, DPC, 91191 Gif-sur-Yvette (France)

    2015-07-23

    Graphical abstract: This tutorial review is dedicated to the analysis of organic/hydro-organic matrices by ICP techniques. A state-of-the-art focusing on sample introduction, relevant operating parameters optimization and analytical strategies for elemental quantification is provided. - Highlights: • Practical considerations to perform analyses in organic/hydro-organic matrices. • Description, benefits and drawbacks of recent introduction devices. • Optimization to improve plasma tolerance towards organic/hydro-organic matrices. • Analytical strategies for elemental quantification in organic/hydro-organic matrices. - Abstract: Inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are increasingly used to carry out analyses in organic/hydro-organic matrices. The introduction of such matrices into ICP sources is particularly challenging and can be the cause of numerous drawbacks. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP sources. Part I provided theoretical considerations associated with the physico-chemical properties of such matrices, in an attempt to understand the induced phenomena. Part II of this tutorial review is dedicated to more practical considerations on instrumentation, instrumental and operating parameters, as well as analytical strategies for elemental quantification in such matrices. Two important issues are addressed in this part: the first concerns the instrumentation and optimization of instrumental and operating parameters, pointing out (i) the description, benefits and drawbacks of different kinds of nebulization and desolvation devices and the impact of more specific instrumental parameters such as the injector characteristics and the material used for the cone; and, (ii) the optimization of operating parameters, for both ICP-OES and ICP-MS. Even if it is at the margin of this tutorial review

  11. Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: a tutorial review. Part I. Theoretical considerations.

    Science.gov (United States)

    Leclercq, Amélie; Nonell, Anthony; Todolí Torró, José Luis; Bresson, Carole; Vio, Laurent; Vercouter, Thomas; Chartier, Frédéric

    2015-07-23

    Due to their outstanding analytical performances, inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are widely used for multi-elemental measurements and also for isotopic characterization in the case of ICP-MS. While most studies are carried out in aqueous matrices, applications involving organic/hydro-organic matrices become increasingly widespread. This kind of matrices is introduced in ICP based instruments when classical "matrix removal" approaches such as acid digestion or extraction procedures cannot be implemented. Due to the physico-chemical properties of organic/hydro-organic matrices and their associated effects on instrumentation and analytical performances, their introduction into ICP sources is particularly challenging and has become a full topic. In this framework, numerous theoretical and phenomenological studies of these effects have been performed in the past, mainly by ICP-OES, while recent literature is more focused on applications and associated instrumental developments. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP-OES and ICP-MS. The present Part I, provides theoretical considerations in connection with the physico-chemical properties of organic/hydro-organic matrices, in order to better understand the induced phenomena. This focal point is divided in four chapters highlighting: (i) the impact of organic/hydro-organic matrices from aerosol generation to atomization/excitation/ionization processes; (ii) the production of carbon molecular constituents and their spatial distribution in the plasma with respect to analytes repartition; (iii) the subsequent modifications of plasma fundamental properties; and (iv) the resulting spectroscopic and non spectroscopic interferences. This first part of this tutorial review is addressed either to beginners or to more experienced scientists who are interested in the

  12. Characterisation of volatile organic compounds (VOCs) released by the composting of different waste matrices.

    Science.gov (United States)

    Schiavon, Marco; Martini, Luca Matteo; Corrà, Cesare; Scapinello, Marco; Coller, Graziano; Tosi, Paolo; Ragazzi, Marco

    2017-12-01

    The complaints arising from the problem of odorants released by composting plants may impede the construction of new composting facilities, preclude the proper activity of existing facilities or even lead to their closure, with negative implications for waste management and local economy. Improving the knowledge on VOC emissions from composting processes is of particular importance since different VOCs imply different odour impacts. To this purpose, three different organic matrices were studied in this work: dewatered sewage sludge (M1), digested organic fraction of municipal solid waste (M2) and untreated food waste (M3). The three matrices were aerobically biodegraded in a bench-scale bioreactor simulating composting conditions. A homemade device sampled the process air from each treatment at defined time intervals. The samples were analysed for VOC detection. The information on the concentrations of the detected VOCs was combined with the VOC-specific odour thresholds to estimate the relative weight of each biodegraded matrix in terms of odour impact. When the odour formation was at its maximum, the waste gas from the composting of M3 showed a total odour concentration about 60 and 15,000 times higher than those resulting from the composting of M1 and M2, respectively. Ethyl isovalerate showed the highest contribution to the total odour concentration (>99%). Terpenes (α-pinene, β-pinene, p-cymene and limonene) were abundantly present in M2 and M3, while sulphides (dimethyl sulphide and dimethyl disulphide) were the dominant components of M1. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Effect of Binding Components in Complex Sample Matrices on Recovery in Direct Immersion Solid-Phase Microextraction: Friends or Foe?

    Science.gov (United States)

    Alam, Md Nazmul; Pawliszyn, Janusz

    2018-02-20

    The development of matrix compatible coatings for solid-phase microextraction (SPME) has enabled direct extraction of analytes from complex sample matrices. The direct immersion (DI) mode of SPME when utilized in conjunction with such extraction phases facilitates extraction of a wide range of analytes from complex matrices without the incurrence of fouling or coating saturation. In this work, mathematical models and computational simulations were employed to investigate the effect of binding components present in complex samples on the recovery of small molecules varying in logP for extractions carried out using the direct immersion approach. The presented findings corroborate that the studied approach indeed enables the extraction of both polar and nonpolar analytes from complex matrices, provided a suitable sorbent is employed. Further results indicated that, in certain cases, the kinetics of extraction of a given analyte in its free form might be dependent on the desorption kinetics of their bound form from matrix components, which might lower total recoveries of analytes with high affinity for the matrix. However, the binding of analytes to matrix components also enables SPME to extract a balanced quantity of different logP analytes, facilitated by multiphase equilibria, with a single extraction device.

  14. Decorin-transforming growth factor- interaction regulates matrix organization and mechanical characteristics of three-dimensional collagen matrices.

    Science.gov (United States)

    Ferdous, Zannatul; Wei, Victoria Mariko; Iozzo, Renato; Höök, Magnus; Grande-Allen, Kathryn Jane

    2007-12-07

    The small leucine-rich proteoglycan decorin has been demonstrated to be a key regulator of collagen fibrillogenesis; decorin deficiencies lead to irregularly shaped collagen fibrils and weakened material behavior in postnatal murine connective tissues. In an in vitro investigation of the contributions of decorin to tissue organization and material behavior, model tissues were engineered by seeding embryonic fibroblasts, harvested from 12.5-13.5 days gestational aged decorin null (Dcn(-/-)) or wild-type mice, within type I collagen gels. The resulting three-dimensional collagen matrices were cultured for 4 weeks under static tension. The collagen matrices seeded with Dcn(-/-) cells exhibited greater contraction, cell density, ultimate tensile strength, and elastic modulus than those seeded with wild-type cells. Ultrastructurally, the matrices seeded with Dcn(-/-) cells contained a greater density of collagen. The decorin-null tissues contained more biglycan than control tissues, suggesting that this related proteoglycan compensated for the absence of decorin. The effect of transforming growth factor-beta (TGF-beta), which is normally sequestered by decorin, was also investigated in this study. The addition of TGF-beta1 to the matrices seeded with wild-type cells improved their contraction and mechanical strength, whereas blocking TGF-beta1 in the Dcn(-/-) cell-seeded matrices significantly reduced the collagen gel contraction. These results indicate that the inhibitory interaction between decorin and TGF-beta1 significantly influenced the matrix organization and material behavior of these in vitro model tissues.

  15. Methods to assess secondary volatile lipid oxidation products in complex food matrices

    DEFF Research Database (Denmark)

    Jacobsen, Charlotte; Yesiltas, Betül

    A range of different methods are available to determine secondary volatile lipid oxidation products. These methods include e.g. spectrophotometric determination of anisidine values and TBARS as well as GC based methods for determination of specific volatile oxidation products such as pentanal...... headspace methods on the same food matrices will be presented....

  16. Complexant stability investigation. Task 2. Organic complexants

    International Nuclear Information System (INIS)

    Martin, E.C.

    1985-06-01

    The safety of high-level defense waste operations has always been given highest priority at the Hanford site. This document is part of the continued effort to appraise and reevaluate the safety of the waste stored in underground tanks on the Hanford Reservation. Hanford high-level defense waste consists mainly of moist, inorganic salts, NaNO 3 , NaAl(OH) 4 , Na 2 CO 3 , and other sodium salts. However, in addition to these salts, quantities of organic compounds constitute a significant portion of the waste. The potential reaction of the organic compounds with inorganic salts to form explosive substances is examined and found to be nonexistent or negligible. The concept that the waste mixture might react exothermically is found to be untenable under the present storage conditions. The phenomenon of slurry growth in double-shell waste storage tanks is expected to cause no increase in exothermic reaction potential within the waste. The results of this study indicate that the presence of organic material in the high-level defense waste does not constitute undue hazard under the present storage conditions

  17. Complexant stability investigation. Task 2. Organic complexants

    Energy Technology Data Exchange (ETDEWEB)

    Martin, E.C.

    1985-06-01

    The safety of high-level defense waste operations has always been given highest priority at the Hanford site. This document is part of the continued effort to appraise and reevaluate the safety of the waste stored in underground tanks on the Hanford Reservation. Hanford high-level defense waste consists mainly of moist, inorganic salts, NaNO/sub 3/, NaAl(OH)/sub 4/, Na/sub 2/CO/sub 3/, and other sodium salts. However, in addition to these salts, quantities of organic compounds constitute a significant portion of the waste. The potential reaction of the organic compounds with inorganic salts to form explosive substances is examined and found to be nonexistent or negligible. The concept that the waste mixture might react exothermically is found to be untenable under the present storage conditions. The phenomenon of slurry growth in double-shell waste storage tanks is expected to cause no increase in exothermic reaction potential within the waste. The results of this study indicate that the presence of organic material in the high-level defense waste does not constitute undue hazard under the present storage conditions.

  18. Preliminary construction of integral analysis for characteristic components in complex matrices by in-house fabricated solid-phase microextraction fibers combined with gas chromatography-mass spectrometry.

    Science.gov (United States)

    Tang, Zhentao; Hou, Wenqian; Liu, Xiuming; Wang, Mingfeng; Duan, Yixiang

    2016-08-26

    Integral analysis plays an important role in study and quality control of substances with complex matrices in our daily life. As the preliminary construction of integral analysis of substances with complex matrices, developing a relatively comprehensive and sensitive methodology might offer more informative and reliable characteristic components. Flavoring mixtures belonging to the representatives of substances with complex matrices have now been widely used in various fields. To better study and control the quality of flavoring mixtures as additives in food industry, an in-house fabricated solid-phase microextraction (SPME) fiber was prepared based on sol-gel technology in this work. The active organic component of the fiber coating was multi-walled carbon nanotubes (MWCNTs) functionalized with hydroxyl-terminated polydimethyldiphenylsiloxane, which integrate the non-polar and polar chains of both materials. In this way, more sensitive extraction capability for a wider range of compounds can be obtained in comparison with commercial SPME fibers. Preliminarily integral analysis of three similar types of samples were realized by the optimized SPME-GC-MS method. With the obtained GC-MS data, a valid and well-fit model was established by partial least square discriminant analysis (PLS-DA) for classification of these samples (R2X=0.661, R2Y=0.996, Q2=0.986). The validity of the model (R2=0.266, Q2=-0.465) has also approved the potential to predict the "belongingness" of new samples. With the PLS-DA and SPSS method, further screening out the markers among three similar batches of samples may be helpful for monitoring and controlling the quality of the flavoring mixtures as additives in food industry. Conversely, the reliability and effectiveness of the GC-MS data has verified the comprehensive and efficient extraction performance of the in-house fabricated fiber. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. pH-independent release of propranolol hydrochloride from HPMC-based matrices using organic acids

    Directory of Open Access Journals (Sweden)

    2008-08-01

    Full Text Available Background and purpose of the study: Propranolol HCl, a widely used drug in the treatment of cardiac arrhythmias and hypertension, is a weak basic drug with pH-dependent solubility that may show release problems from sustained release dosage forms at higher pH of small intestine. This might decrease drug bioavailability and cause variable oral absorption. Preparation of a sustained release matrix system with a pH-independent release profile was the aim of the present study. Methods: Three types of organic acids namely tartaric, citric and fumaric acid in the concentrations of 5, 10 and 15 % were added to the matrices prepared by hydroxypropyl methylcellulose (HPMC and dicalcium phosphate. The drug release studies were carried out at pH 1.2 and pH 6.8 separately and mean dissolution time (MDT as well as similarity factor (¦2 were calculated for all formulations. Results and discussion: It was found that incorporation of 5 and 10 % tartaric acid in tablet formulations with 30 % HPMC resulted in a suitable pH-independent release profiles with significant higher ¦2 values (89.9 and 87.6 respectively compared to acid free tablet (58.03. The other two acids did not show the desirable effects. It seems that lower pKa of tartaric acid accompanied by its higher solubility were the main factors in the achievement of pH-independent release profiles.

  20. Metal-inorganic-organic matrices as efficient sorbents for hydrogen storage.

    Science.gov (United States)

    Azzouz, Abdelkrim; Nousir, Saadia; Bouazizi, Nabil; Roy, René

    2015-03-01

    Stabilization of metal nanoparticles (MNPs) without re-aggregation is a major challenge. An unprecedented strategy is developed for achieving high dispersion of copper(0) or palladium(0) on montmorillonite-supported diethanolamine or thioglycerol. This results in novel metal-inorganic-organic matrices (MIOM) that readily capture hydrogen at ambient conditions, with easy release under air stream. Hydrogen retention appears to involve mainly physical interactions, slightly stronger on thioglycerol-based MIOM (S-MIOM). Thermal enhancement of desorption suggests also a contribution of chemical interactions. The increase of hydrogen uptake with prolonged contact times arises from diffusion hindrance, which appears to be beneficial by favoring hydrogen entrapment. Even with compact structures, MIOMs act as efficient sorbents with much higher efficiency factor (1.14-1.17 mmol H 2 m(-2)) than many other sophisticated adsorbents reported in the literature. This opens new prospects for hydrogen storage and potential applications in microfluidic hydrogenation reactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Effect of molecular structure on fragmentation of isolated organic molecules in solid rare gas matrices

    International Nuclear Information System (INIS)

    Kobzarenko, A.V.; Sukhov, F.F.; Orlov, A.Yu.; Kovalev, G.V.; Baranova, I.A.; Feldman, V.I.

    2012-01-01

    The effect of excess energy on the primary radical cations of bifunctional carbonyl compounds and aliphatic alkynes was simulated by matrix isolation method using rare gas matrices with various ionization potentials. The formation of fragmentation products was monitored by EPR and FTIR spectroscopy. It was shown that the radical cations of bifunctional compounds (CH 3 OCH 2 COCH 3 and CH 3 COCOCH 3 ) dissociated effectively yielding · CH 3 radicals upon irradiation in solid argon matrix at T≤16 K. In addition to isolated methyl radicals, the radical pairs consisting of two methyl radicals separated by two CO molecules were detected in the case of diacetyl. The probability of fragmentation decreases with the decreasing excess energy by switching from Ar to Xe. In general, bifunctional molecules were found to be less stable to “hot” ionic fragmentation in low-temperature solids in comparison with simple prototype compounds. In the case of alkynes of the R--C≡CH type, a noticeable yield of fragmentation products was observed when R=–C(CH 3 ) 3 , but it was negligible for R=–CH 3 . The mechanisms of “hot” reactions and excess energy relaxation are discussed. - Highlights: ► Radiolysis of bifunctional organic compounds and alkynes. ► Dependence of “hot” fragmentation probability from molecular structure. ► Ions of bifunctional compounds are less stable than those of monofunctional ones. ► Alkynes are rather stable to “hot” fragmentation.

  2. Increase of Organization in Complex Systems

    OpenAIRE

    Georgiev, Georgi Yordanov; Daly, Michael; Gombos, Erin; Vinod, Amrit; Hoonjan, Gajinder

    2013-01-01

    Measures of complexity and entropy have not converged to a single quantitative description of levels of organization of complex systems. The need for such a measure is increasingly necessary in all disciplines studying complex systems. To address this problem, starting from the most fundamental principle in Physics, here a new measure for quantity of organization and rate of self-organization in complex systems based on the principle of least (stationary) action is applied to a model system -...

  3. Quantification of biopharmaceuticals and biomarkers in complex biological matrices: a comparison of liquid chromatography coupled to tandem mass spectrometry and ligand binding assays

    NARCIS (Netherlands)

    Bults, Peter; van de Merbel, Nico C; Bischoff, Rainer

    2015-01-01

    The quantification of proteins (biopharmaceuticals or biomarkers) in complex biological samples such as blood plasma requires exquisite sensitivity and selectivity, as all biological matrices contain myriads of proteins that are all made of the same 20 proteinogenic amino acids, notwithstanding

  4. Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: a tutorial review. Part II. Practical considerations.

    Science.gov (United States)

    Leclercq, Amélie; Nonell, Anthony; Todolí Torró, José Luis; Bresson, Carole; Vio, Laurent; Vercouter, Thomas; Chartier, Frédéric

    2015-07-23

    Inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are increasingly used to carry out analyses in organic/hydro-organic matrices. The introduction of such matrices into ICP sources is particularly challenging and can be the cause of numerous drawbacks. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP sources. Part I provided theoretical considerations associated with the physico-chemical properties of such matrices, in an attempt to understand the induced phenomena. Part II of this tutorial review is dedicated to more practical considerations on instrumentation, instrumental and operating parameters, as well as analytical strategies for elemental quantification in such matrices. Two important issues are addressed in this part: the first concerns the instrumentation and optimization of instrumental and operating parameters, pointing out (i) the description, benefits and drawbacks of different kinds of nebulization and desolvation devices and the impact of more specific instrumental parameters such as the injector characteristics and the material used for the cone; and, (ii) the optimization of operating parameters, for both ICP-OES and ICP-MS. Even if it is at the margin of this tutorial review, Electrothermal Vaporization and Laser Ablation will also be shortly described. The second issue is devoted to the analytical strategies for elemental quantification in such matrices, with particular insight into the isotope dilution technique, particularly used in speciation analysis by ICP-coupled separation techniques. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. An inexpensive and fast method for infiltration coating of complex geometry matrices for ISOL production target applications

    International Nuclear Information System (INIS)

    Kawai, Y.; Alton, G.D.; Bilheux, J.-C.

    2005-01-01

    An inexpensive, fast, and close to universal infiltration coating technique has been developed for fabricating fast diffusion-release ISOL targets. Targets are fabricated by deposition of finely divided (∼1μm) compound materials in a paint-slurry onto highly permeable, complex structure reticulated-vitreous-carbon-foam (RVCF) matrices, followed by thermal heat treatment. In this article, we describe the coating method and present information on the physical integrity, uniformity of deposition, and matrix adherence of SiC, HfC and UC 2 targets, destined for on-line use as targets at the Holifield Radioactive Ion Beam Facility (HRIBF)

  6. Temperature dependence of the luminescence lifetime of a europium complex immobilized in different polymer matrices

    Energy Technology Data Exchange (ETDEWEB)

    Basu, Bharathi Bai J. [Surface Engineering Division, National Aerospace Laboratories, Bangalore 560017 (India)], E-mail: bharathi@css.nal.res.in; Vasantharajan, N. [Surface Engineering Division, National Aerospace Laboratories, Bangalore 560017 (India)

    2008-10-15

    The temperature dependence of the luminescence lifetime of temperature sensor films based on europium (III) thenoyltrifluoroacetonate (EuTTA) as sensor dye in various polymer matrices such as polystyrene (PS), polymethylmethacrylate (PMMA), polyurethane (PU) and model airplane dope was studied and compared. The luminescence lifetime of EuTTA was found to depend on the polymer matrix. The temperature sensitivity of lifetime was maximum for EuTTA-PS coating in the temperature range of 10-60 deg. C. The effect of concentration of the sensor dye in the polymer on the lifetime and temperature sensitivity was also studied.

  7. New sample treatment strategies for the determination of organic contaminants in environmental matrices.

    OpenAIRE

    Casas Ferreira, Ana María

    2011-01-01

    [ES] El objeto general de esta memoria consiste en proponer y desarrollar nuevas estrategias de tratamiento de muestra para la determinación de contaminantes orgánicos en matrices medioambientales. En muchos casos, cuando se trabaja con diferentes matrices, tales como aguas o suelos, es necesaria la utilización de técnicas de pretratamiento de muestra previas al análisis instrumental, cuyo objetivo principal es aislar los analitos de interés del resto de componentes presentes en la matriz...

  8. Leadership Learning for Complex Organizations

    Science.gov (United States)

    Ng, F. S. David

    2015-01-01

    Many school leadership programs are set and delivered in specific modules or workshops in order to achieve a pre-determined set of competencies, knowledge, and skills. In addition, these programs are driven by the faculty member and the prescribed content. As Singapore schools become more complex in the roles and responsibilities to educate the…

  9. Determination of radiation-induced hydrocarbons in processed food and complex lipid matrices. A new solid phase extraction (SPE) method for detection of irradiated components in food

    International Nuclear Information System (INIS)

    Hartmann, M.; Ammon, J.; Berg, H.

    1997-01-01

    Detection of irradiated components in processed food with complex lipid matrices can be affected by two problems. First, the processed food may contain only a small amount of the irradiated component, and the radiation-induced hydrocarbons may be diluted throughout the lipid matrix of the whole food. Second, in complex lipid matrices, the detection of prior irradiation is often disturbed by fat-associated compounds. In these cases, common solid phase extraction (SPE) Florisil clean-up alone is inadequate in the detection of prior irradiation. Subsequent SPE argentation chromatography of the Florisil eluate allows the measurement of small amounts of irradiated lipid-containing ingredients in processed food as well as the detection of prior irradiation in complex lipid matrices such as paprika and chilli. SPE argetation chromatography is the first method available for the selective enrichment of radiation-specific hydrocarbons from even complex lipid matrices, thus enabling the detection of irradiation does as low as 0.025 kGy. Furthermore, by using radiation-induced hydrocarbons in the detection of prior irradiation of paprika and chilli powder, a second independent method, the first being measurement of thermoluminescence, is available for the analysis of these matrices. Such analysis could be achieved by using this highly sensitive, cheap and easy to perform combined SPE Florisil/argentation chromatography method, without the need for sophisticated techniques like SFE-GC/MS or LC-GC/MS, so that highly sensitive detection of prior irradiation colud be performed in almost every laboratory

  10. Spectroscopy of plutonium-organic complexes

    International Nuclear Information System (INIS)

    Richmann, M.K.; Reed, D.T.

    1995-01-01

    Information on the spectroscopy of plutonium-organic complexes is needed to help establish the speciation of these complexes under environmentally relevant conditions. Laser photoacoustic spectroscopy (LPAS) and absorption spectrometry were used to characterize the Pu(IV)-citrate and Pu(IV)-nitrilotriacetic acid (NTA) complexes at concentrations of 10 -3 --10 -7 M in aqueous solution. Good agreement was observed between the band shape of the LPAS and absorption spectra for the Pu(IV)-NTA complex. Agreement for the Pu(IV)-citrate complex was not quite as good. In both cases, a linear dependence of the LPAS signal on laser power and total concentration of the complexes was noted. This work is part of an ongoing research effort to study key subsurface interactions of plutonium-organic complexes

  11. Using complexation for the microencapsulation of nisin in biopolymer matrices by spray-drying.

    Science.gov (United States)

    Ben Amara, Chedia; Kim, Lanhee; Oulahal, Nadia; Degraeve, Pascal; Gharsallaoui, Adem

    2017-12-01

    The aim of this study is to investigate the potential of complexation to encapsulate nisin (5g/L concentration) using spray-drying technique and to evaluate how complexation with pectin or alginate (2g/L concentration) can preserve nisin structure and antimicrobial activity. Spray-drying of nisin-low methoxyl pectin or nisin-alginate electrostatic complexes has led to the microencapsulation of the peptide in different networks that were highly influenced by the polysaccharide type. Turbidity and particle size measurements indicated that while spray-drying promoted the aggregation of nisin-pectin complexes, it favored the dissociation of nisin-alginate aggregates to form individual complexes. Structural changes of nisin induced by complexation with pectin or alginate and spray-drying were studied by using UV-Vis absorption and fluorescence spectroscopy. The results showed that complexation with pectin or alginate preserved nisin structure as well as its antimicrobial activity during spray-drying. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Sorptive and desorptive fractionation of dissolved organic matter by mineral soil matrices.

    Science.gov (United States)

    Oren, Adi; Chefetz, Benny

    2012-01-01

    Interactions of dissolved organic matter (DOM) with soil minerals, such as metal oxides and clays, involve various sorption mechanisms and may lead to sorptive fractionation of certain organic moieties. While sorption of DOM to soil minerals typically involves a degree of irreversibility, it is unclear which structural components of DOM correspond to the irreversibly bound fraction and which factors may be considered determinants. To assist in elucidating that, the current study aimed at investigating fractionation of DOM during sorption and desorption processes in soil. Batch DOM sorption and desorption experiments were conducted with organic matter poor, alkaline soils. Fourier-transform infrared (FTIR) and UV-Vis spectroscopy were used to analyze bulk DOM, sorbed DOM, and desorbed DOM fractions. Sorptive fractionation resulted mainly from the preferential uptake of aromatic, carboxylic, and phenolic moieties of DOM. Soil metal-oxide content positively affected DOM sorption and binding of some specific carboxylate and phenolate functional groups. Desorptive fractionation of DOM was expressed by the irreversible-binding nature of some carboxylic moieties, whereas other bound carboxylic moieties were readily desorbed. Inner-sphere, as opposed to outer-sphere, ligand-exchange complexation mechanisms may be responsible for these irreversible, as opposed to reversible, interactions, respectively. The interaction of aliphatic DOM constituents with soil, presumably through weak van der Waals forces, was minor and increased with increasing proportion of clay minerals in the soil. Revealing the nature of DOM-fractionation processes is of great importance to understanding carbon stabilization mechanisms in soils, as well as the overall fate of contaminants that might be associated with DOM. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  13. Indium tin oxide with zwitterionic interfacial design for biosensing applications in complex matrices

    Energy Technology Data Exchange (ETDEWEB)

    Darwish, Nadia T.; Alias, Yatimah; Khor, Sook Mei, E-mail: naomikhor@um.edu.my

    2015-01-15

    Graphical abstract: - Highlights: • The incorporation of a linker and antifouling molecules is an important interfacial design for both affinity and enzymatic biosensors. • The resistance to non-specific protein adsorptions of BSA–FITC and RBITC–Cyt c were determined by confocal laser scanning microscopy. • The antifouling interface allows detection of target analytes in highly complicated biological matrices. - Abstract: Biosensing interfaces consisting of linker molecules (COOH or NH{sub 2}) and charged, antifouling moieties ((-SO{sup 3−} and N{sup +}(Me){sub 3}) for biosensing applications were prepared for the first time by the in situ deposition of mixtures of aryl diazonium cations on indium tin oxide (ITO) electrodes. A linker molecule is required for the attachment of biorecognition molecules (e.g., antibodies, enzymes, DNA chains, and aptamers) close to the transducer surface. The attached molecules improve the biosensing sensitivity and also provide a short response time for analyte detection. Thus, the incorporation of a linker and antifouling molecules is an important interfacial design for both affinity and enzymatic biosensors. The reductive adsorption behavior and electrochemical measurement were studied for (1) an individual compound and (2) a mixture of antifouling zwitterionic molecules together with linker molecules [combination 1: 4-sulfophenyl (SP), 4-trimethylammoniophenyl (TMAP), and 1,4-phenylenediamine (PPD); combination 2: 4-sulfophenyl (SP), 4-trimethylammoniophenyl (TMAP), and 4-aminobenzoic acid (PABA)] of aryl diazonium cations grafted onto an ITO electrode. The mixture ratios of SP:TMAP:PPD and SP:TMAP:PABA that provided the greatest resistance to non-specific protein adsorptions of bovine serum albumin labeled with fluorescein isothiocyanate (BSA–FITC) and cytochrome c labeled with rhodamine B isothiocyanate (RBITC–Cyt c) were determined by confocal laser scanning microscopy (CLSM). For the surface antifouling study

  14. Indium tin oxide with zwitterionic interfacial design for biosensing applications in complex matrices

    International Nuclear Information System (INIS)

    Darwish, Nadia T.; Alias, Yatimah; Khor, Sook Mei

    2015-01-01

    Graphical abstract: - Highlights: • The incorporation of a linker and antifouling molecules is an important interfacial design for both affinity and enzymatic biosensors. • The resistance to non-specific protein adsorptions of BSA–FITC and RBITC–Cyt c were determined by confocal laser scanning microscopy. • The antifouling interface allows detection of target analytes in highly complicated biological matrices. - Abstract: Biosensing interfaces consisting of linker molecules (COOH or NH 2 ) and charged, antifouling moieties ((-SO 3− and N + (Me) 3 ) for biosensing applications were prepared for the first time by the in situ deposition of mixtures of aryl diazonium cations on indium tin oxide (ITO) electrodes. A linker molecule is required for the attachment of biorecognition molecules (e.g., antibodies, enzymes, DNA chains, and aptamers) close to the transducer surface. The attached molecules improve the biosensing sensitivity and also provide a short response time for analyte detection. Thus, the incorporation of a linker and antifouling molecules is an important interfacial design for both affinity and enzymatic biosensors. The reductive adsorption behavior and electrochemical measurement were studied for (1) an individual compound and (2) a mixture of antifouling zwitterionic molecules together with linker molecules [combination 1: 4-sulfophenyl (SP), 4-trimethylammoniophenyl (TMAP), and 1,4-phenylenediamine (PPD); combination 2: 4-sulfophenyl (SP), 4-trimethylammoniophenyl (TMAP), and 4-aminobenzoic acid (PABA)] of aryl diazonium cations grafted onto an ITO electrode. The mixture ratios of SP:TMAP:PPD and SP:TMAP:PABA that provided the greatest resistance to non-specific protein adsorptions of bovine serum albumin labeled with fluorescein isothiocyanate (BSA–FITC) and cytochrome c labeled with rhodamine B isothiocyanate (RBITC–Cyt c) were determined by confocal laser scanning microscopy (CLSM). For the surface antifouling study, we used 2

  15. Our Galactic Neighbor Hosts Complex Organic Molecules

    Science.gov (United States)

    Hensley, Kerry

    2018-03-01

    For the first time, data from the Atacama Large Millimeter/submillimeter Array (ALMA) reveal the presence of methyl formate and dimethyl ether in a star-forming region outside our galaxy. This discovery has important implications for the formation and survival of complex organic compounds importantfor the formation of life in low-metallicity galaxies bothyoung and old.No Simple Picture of Complex Molecule FormationALMA, pictured here with the Magellanic Clouds above, has observed organic molecules in our Milky Way Galaxy and beyond. [ESO/C. Malin]Complex organic molecules (those with at least six atoms, one or more of which must be carbon) are the precursors to the building blocks of life. Knowing how and where complex organic molecules can form is a key part of understanding how life came to be on Earth and how it might arise elsewhere in the universe. From exoplanet atmospheres to interstellar space, complex organic molecules are ubiquitous in the Milky Way.In our galaxy, complex organic molecules are often found in the intense environments of hot cores clumps of dense molecular gas surrounding the sites of star formation. However, its not yet fully understood how the complex organic molecules found in hot cores come to be. One possibility is that the compounds condense onto cold dust grains long before the young stars begin heating their natal shrouds. Alternatively, they might assemble themselves from the hot, dense gas surrounding the blazing protostars.Composite infrared and optical image of the N 113 star-forming region in the LMC. The ALMA coverage is indicated by the gray line. Click to enlarge. [Sewio et al. 2018]Detecting Complexity, a Galaxy AwayUsing ALMA, a team of researchers led by Marta Sewio (NASA Goddard Space Flight Center) recently detected two complex organic molecules methyl formate and dimethyl ether for the first time in our neighboring galaxy, the Large Magellanic Cloud (LMC). Previous searches for organic molecules in the LMC detected

  16. Measurement issues associated with quantitative molecular biology analysis of complex food matrices for the detection of food fraud.

    Science.gov (United States)

    Burns, Malcolm; Wiseman, Gordon; Knight, Angus; Bramley, Peter; Foster, Lucy; Rollinson, Sophie; Damant, Andrew; Primrose, Sandy

    2016-01-07

    Following a report on a significant amount of horse DNA being detected in a beef burger product on sale to the public at a UK supermarket in early 2013, the Elliott report was published in 2014 and contained a list of recommendations for helping ensure food integrity. One of the recommendations included improving laboratory testing capacity and capability to ensure a harmonised approach for testing for food authenticity. Molecular biologists have developed exquisitely sensitive methods based on the polymerase chain reaction (PCR) or mass spectrometry for detecting the presence of particular nucleic acid or peptide/protein sequences. These methods have been shown to be specific and sensitive in terms of lower limits of applicability, but they are largely qualitative in nature. Historically, the conversion of these qualitative techniques into reliable quantitative methods has been beset with problems even when used on relatively simple sample matrices. When the methods are applied to complex sample matrices, as found in many foods, the problems are magnified resulting in a high measurement uncertainty associated with the result which may mean that the assay is not fit for purpose. However, recent advances in the technology and the understanding of molecular biology approaches have further given rise to the re-assessment of these methods for their quantitative potential. This review focuses on important issues for consideration when validating a molecular biology assay and the various factors that can impact on the measurement uncertainty of a result associated with molecular biology approaches used in detection of food fraud, with a particular focus on quantitative PCR-based and proteomics assays.

  17. Change detection in polarimetric SAR images using complex Wishart distributed matrices

    DEFF Research Database (Denmark)

    Conradsen, Knut; Nielsen, Allan Aasbjerg; Skriver, Henning

    In surveillance it is important to be able to detect natural or man-made changes e.g. based on sequences of satellite or air borne images of the same area taken at different times. The mapping capability of synthetic aperture radar (SAR) is independent of e.g. cloud cover, and thus this technology...... scattering matrix, and after suitable preprocessing the outcome at each picture element (pixel) may be represented as a 3 by 3 Hermitian matrix following a complex Wishart distribution. One approach to solving the change detection problem based on SAR images is therefore to apply suitable statistical tests...... in the complex Wishart distribution. We propose a set-up for a systematic solution to the (practical) problems using the likelihood ratio test statistics. We show some examples based on a time series of images with 1024 by 1024 pixels....

  18. Realm of Matrices

    Indian Academy of Sciences (India)

    IAS Admin

    harmonic analysis and complex analysis, in ... gebra describes not only the study of linear transforma- tions and .... special case of the Jordan canonical form of matrices. ..... Richard Bronson, Schaum's Outline Series Theory And Problems Of.

  19. BODIPY associates in organic matrices: Spectral properties, photostability and evaluation as OLED emitters

    Energy Technology Data Exchange (ETDEWEB)

    Merkushev, D.A.; Usoltsev, S.D. [Ivanovo State University of Chemistry and Technology, Sheremetevskiy Avenue 7, 153000 Ivanovo (Russian Federation); Marfin, Yu.S., E-mail: marfin@isuct.ru [Ivanovo State University of Chemistry and Technology, Sheremetevskiy Avenue 7, 153000 Ivanovo (Russian Federation); Pushkarev, A.P., E-mail: pushkarev@iomc.ras.ru [G.A. Razuvaev Institute of Organometallic Chemistry RAS, Tropinina 49, 603950 Nizhny Novgorod (Russian Federation); Volyniuk, D.; Grazulevicius, J.V. [Department of Polymer Chemistry and Technology, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Rumyantsev, E.V. [Ivanovo State University of Chemistry and Technology, Sheremetevskiy Avenue 7, 153000 Ivanovo (Russian Federation)

    2017-02-01

    In the present study four BODIPY (boron dipyrromethene: 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene) dyes with π-extended substituents in C-8 position were investigated in solvents and polymer mediums. High aggregation degree was observed for the dyes in the solid state. Association and twisted intramolecular charge transfer processes were found to affect the spectral properties of the compounds causing bathochromic shifts in absorption and fluorescence spectra. The extension of substituent π-conjugation gains molecular association evoked presumably by π-π interaction between the substituents of the adjacent molecules. Photostability of the complexes in different forms was analyzed and the distorted form stabilized by polymer matrix was found to be the most stable. The substituent nature did not affect strongly the photostability of dyes. Displacement of monomer-associate equilibrium in hybrid materials with polymethylmethacrylate and poly(9-vinylcarbazole) was exploited for tuning spectral characteristics of the materials. Two dyes readily forming aggregates at the lowest concentrations were applied for the fabrication of organic light-emitting diodes. The fabricated devices exhibited electroluminescence in the appropriate spectral ranges with moderate efficiency. - Highlights: • Four BODIPY dyes with π-extended substituents in 8-position were investigated in solvents and polymers. • Substituent influence on photophysical properties and photostability of the compounds are discussed. • Aggregation induced spectral changes were observed. • Displacement of monomer-aggregate equilibrium was exploited for tuning electroluminescent characteristics of OLED devices.

  20. Porous Aluminum Oxide and Magnesium Oxide Films Using Organic Hydrogels as Structure Matrices

    Directory of Open Access Journals (Sweden)

    Zimei Chen

    2018-03-01

    Full Text Available We describe the synthesis of mesoporous Al2O3 and MgO layers on silicon wafer substrates by using poly(dimethylacrylamide hydrogels as porogenic matrices. Hydrogel films are prepared by spreading the polymer through spin-coating, followed by photo-cross-linking and anchoring to the substrate surface. The metal oxides are obtained by swelling the hydrogels in the respective metal nitrate solutions and subsequent thermal conversion. Combustion of the hydrogel results in mesoporous metal oxide layers with thicknesses in the μm range and high specific surface areas up to 558 m2∙g−1. Materials are characterized by SEM, FIB ablation, EDX, and Kr physisorption porosimetry.

  1. LC-MS/MS signal suppression effects in the analysis of pesticides in complex environmental matrices.

    Science.gov (United States)

    Choi, B K; Hercules, D M; Gusev, A I

    2001-02-01

    The application of LC separation and mobile phase additives in addressing LC-MS/MS matrix signal suppression effects for the analysis of pesticides in a complex environmental matrix was investigated. It was shown that signal suppression is most significant for analytes eluting early in the LC-MS analysis. Introduction of different buffers (e.g. ammonium formate, ammonium hydroxide, formic acid) into the LC mobile phase was effective in improving signal correlation between the matrix and standard samples. The signal improvement is dependent on buffer concentration as well as LC separation of the matrix components. The application of LC separation alone was not effective in addressing suppression effects when characterizing complex matrix samples. Overloading of the LC column by matrix components was found to significantly contribute to analyte-matrix co-elution and suppression of signal. This signal suppression effect can be efficiently compensated by 2D LC (LC-LC) separation techniques. The effectiveness of buffers and LC separation in improving signal correlation between standard and matrix samples is discussed.

  2. Comparing HPLC-ESI-ITMS and UPLC-ESI-OA-TOF-MS in Characterizing Macrolide Antibiotics and Illicit Drugs in Complex Environmental Matrices

    Science.gov (United States)

    Among the challenges of characterizing emerging contaminants in complex environmental matrices (e.g., biosolids, sewage, or wastewater) are the co-eluting interferences. For example, surfactants, fats, and humic acids, can be preferentially ionized instead of the analyte(s) of in...

  3. VanderLaan Circulant Type Matrices

    Directory of Open Access Journals (Sweden)

    Hongyan Pan

    2015-01-01

    Full Text Available Circulant matrices have become a satisfactory tools in control methods for modern complex systems. In the paper, VanderLaan circulant type matrices are presented, which include VanderLaan circulant, left circulant, and g-circulant matrices. The nonsingularity of these special matrices is discussed by the surprising properties of VanderLaan numbers. The exact determinants of VanderLaan circulant type matrices are given by structuring transformation matrices, determinants of well-known tridiagonal matrices, and tridiagonal-like matrices. The explicit inverse matrices of these special matrices are obtained by structuring transformation matrices, inverses of known tridiagonal matrices, and quasi-tridiagonal matrices. Three kinds of norms and lower bound for the spread of VanderLaan circulant and left circulant matrix are given separately. And we gain the spectral norm of VanderLaan g-circulant matrix.

  4. The selective cleanup of complex matrices and simultaneous separation of benzo[a]pyrene by solid-phase extraction with MgO microspheres as sorbents.

    Science.gov (United States)

    Jin, Jing; Li, Yun; Zhang, Zhiping; Su, Fan; Qi, Peipei; Lu, Xianbo; Chen, Jiping

    2011-12-23

    A new method for the selective cleanup of complex matrices and simultaneous separation of benzo[a]pyrene (BaP) was developed in this study. This method was based on solid-phase extraction (SPE) using magnesium oxide microspheres as sorbents, and it eliminated interferences from various impurities, such as lipids, sulphur, pigments, halobenzenes, polychlorodibenzo-p-dioxins and polychlorodibenzofurans. Several parameters, including the volume of rinsing and eluting solvents, the type of loading solvents and SPE sorbents, were optimized systematically. The capability for impurity removal was verified by gel permeation chromatography, gas chromatography, and liquid chromatography. Compared to commercial sorbents (silica gel, florisil and alumina), MgO microspheres exhibited excellent performance in the selective isolation of BaP and removal of impurities. The proposed method was applied to detect BaP in complex samples (sediments, soils, fish, and porcine liver). The limit of quantification (LOQ) was 1.04 ngL(-1), and the resulting regression coefficient (r(2)) was greater than 0.999 over a broad concentration range (9.5-7600 ngL(-1)). In contrast to traditional methods, the proposed method can give rise to higher recovery (85.1-100.8%) and better selectivity with simpler operation and less consumption of organic solvents (20-40 mL). Copyright © 2011 Elsevier B.V. All rights reserved.

  5. Organic Donor-Acceptor Complexes as Novel Organic Semiconductors.

    Science.gov (United States)

    Zhang, Jing; Xu, Wei; Sheng, Peng; Zhao, Guangyao; Zhu, Daoben

    2017-07-18

    Organic donor-acceptor (DA) complexes have attracted wide attention in recent decades, resulting in the rapid development of organic binary system electronics. The design and synthesis of organic DA complexes with a variety of component structures have mainly focused on metallicity (or even superconductivity), emission, or ferroelectricity studies. Further efforts have been made in high-performance electronic investigations. The chemical versatility of organic semiconductors provides DA complexes with a great number of possibilities for semiconducting applications. Organic DA complexes extend the semiconductor family and promote charge separation and transport in organic field-effect transistors (OFETs) and organic photovoltaics (OPVs). In OFETs, the organic complex serves as an active layer across extraordinary charge pathways, ensuring the efficient transport of induced charges. Although an increasing number of organic semiconductors have been reported to exhibit good p- or n-type properties (mobilities higher than 1 or even 10 cm 2 V -1 s -1 ), critical scientific challenges remain in utilizing the advantages of existing semiconductor materials for more and wider applications while maintaining less complicated synthetic or device fabrication processes. DA complex materials have revealed new insight: their unique molecular packing and structure-property relationships. The combination of donors and acceptors could offer practical advantages compared with their unimolecular materials. First, growing crystals of DA complexes with densely packed structures will reduce impurities and traps from the self-assembly process. Second, complexes based on the original structural components could form superior mixture stacking, which can facilitate charge transport depending on the driving force in the coassembly process. Third, the effective use of organic semiconductors can lead to tunable band structures, allowing the operation mode (p- or n-type) of the transistor to be

  6. Self-organization in metal complexes

    International Nuclear Information System (INIS)

    Radecka-Paryzek, W.

    1999-01-01

    Inorganic self-organization involves the spontaneous generation of well-defined supramolecular architectures from metal ions and organic ligands. The basic concept of supramolecular chemistry is a molecular recognition. When the substrate are metal ions, recognition is expressed in the stability and selectivity of metal ion complexation by organic ligands and depends on the geometry of the ligand and on their binding sites that it contains. The combination of the geometric features of the ligand units and the coordination geometries of the metal ions provides very efficient tool for the synthesis of novel, intriguing and highly sophisticated species such as catenanes, box structures, double and triple helicates with a variety of interesting properties. The article will focus on the examples of inorganic self-organization involving the templating as a first step for the assembly of supramolecular structures of high complexity. (author)

  7. Complex Systems and Self-organization Modelling

    CERN Document Server

    Bertelle, Cyrille; Kadri-Dahmani, Hakima

    2009-01-01

    The concern of this book is the use of emergent computing and self-organization modelling within various applications of complex systems. The authors focus their attention both on the innovative concepts and implementations in order to model self-organizations, but also on the relevant applicative domains in which they can be used efficiently. This book is the outcome of a workshop meeting within ESM 2006 (Eurosis), held in Toulouse, France in October 2006.

  8. Temperature dependence of electron spin-lattice relaxation of radiation-produced silver atoms in polycrystalline aqueous and glassy organic matrices. Importance of relaxation by tunneling modes in disordered matrices

    International Nuclear Information System (INIS)

    Michalik, J.; Kevan, L.

    1978-01-01

    The electron spin-lattice relaxation of trapped silver atoms in polycrystalline ice matrices and in methanol, ethanol, propylene carbonate, and 2-methyltetrahydrofuran organic glasses has been directly studied as a function of temperature by the saturation-recovery method. Below 40 K the dominant electron spin-lattice relaxation mechanism involves modulation of the electron nuclear dipolar interaction with nuclei in the radical's environment by tunneling of those nuclei between two nearly equal energy configurations. This relaxation mechanism occurs with high efficiency, has a characteristic linear temperature dependence, and is typically found in highly disordered matrices. The efficiency of this relaxation mechanism seems to decrease with decreasing polarity of the matrix. Deuteration experiments show that the tunneling nuclei are protons and in methanol it is shown that the methyl protons have more tunneling modes available than the hydroxyl protons. In polycrystalline ice matrices silver atoms can be stabilized with two different orientations of surrounding water molecules; the efficiency of the tunneling relaxation reflects this difference. From these and previous results on tunneling relaxation of trapped electrons in glassy matrices it appears that tunneling relaxation may be used to distinguish models with different geometrical configurations and to determine the relative rigidity of such configurations around trapped radicals in disordered solids. (author)

  9. HS-GC-MS method for the analysis of fragrance allergens in complex cosmetic matrices.

    Science.gov (United States)

    Desmedt, B; Canfyn, M; Pype, M; Baudewyns, S; Hanot, V; Courselle, P; De Beer, J O; Rogiers, V; De Paepe, K; Deconinck, E

    2015-01-01

    Potential allergenic fragrances are part of the Cosmetic Regulation with labelling and concentration restrictions. This means that they have to be declared on the ingredients list, when their concentration exceeds the labelling limit of 10 ppm or 100 ppm for leave-on or rinse-off cosmetics, respectively. Labelling is important regarding consumer safety. In this way, sensitised people towards fragrances might select their products based on the ingredients list to prevent elicitation of an allergic reaction. It is therefore important to quantify potential allergenic ingredients in cosmetic products. An easy to perform liquid extraction was developed, combined with a new headspace GC-MS method. The latter was capable of analysing 24 volatile allergenic fragrances in complex cosmetic formulations, such as hydrophilic (O/W) and lipophilic (W/O) creams, lotions and gels. This method was successfully validated using the total error approach. The trueness deviations for all components were smaller than 8%, and the expectation tolerance limits did not exceed the acceptance limits of ± 20% at the labelling limit. The current methodology was used to analyse 18 cosmetic samples that were already identified as being illegal on the EU market for containing forbidden skin whitening substances. Our results showed that these cosmetic products also contained undeclared fragrances above the limit value for labelling, which imposes an additional health risk for the consumer. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Spectrophotometric determination of boron in complex matrices by isothermal distillation of borate ester into curcumin

    International Nuclear Information System (INIS)

    Thangavel, S.; Dhavile, S.M.; Dash, K.; Chaurasia, S.C.

    2004-01-01

    In situ distillation of borate ester into the curcumin solution has been developed for the spectrophotometric determination of boron in a variety of complex matrixes. A polypropylene vessel containing the sample solution was placed inside a vessel (PP) containing 10 ml of curcumin solution and the distillation was carried out at room temperature/on a water bath. The borate ester collected in to the curcumin solution was evaporated to dryness on the water bath, taken in acetone and the absorbance was measured at 550 nm. In situ distillation of borate ester directly into the chromogenic reagent eliminates tedious sample treatment (before and/or after borate separation), use of methanol, complicated quartz set up, possible loss of boron and reduces the analysis time significantly. In situ dehydration of sample solution by ethanolic vapour in the absence of dehydrating acid prevents the formation of fluoborate and co-distillation of potential anionic interferents (nitrate and fluoride). This developed method has been applied for the determination of traces of boric acid in boron powder by the distillation of methyl borate at room temperature. For other matrixes (water, uranium oxide, uranyl nitrate, fluoride salt, etc.) distillation of ethyl borate was carried out on the water bath. LOD (3σ) was 5 ng g -1 for water and 30 ng g -1 for solid samples

  11. Using In Silico Fragmentation to Improve Routine Residue Screening in Complex Matrices

    Science.gov (United States)

    Kaufmann, Anton; Butcher, Patrick; Maden, Kathryn; Walker, Stephan; Widmer, Mirjam

    2017-12-01

    Targeted residue screening requires the use of reference substances in order to identify potential residues. This becomes a difficult issue when using multi-residue methods capable of analyzing several hundreds of analytes. Therefore, the capability of in silico fragmentation based on a structure database ("suspect screening") instead of physical reference substances for routine targeted residue screening was investigated. The detection of fragment ions that can be predicted or explained by in silico software was utilized to reduce the number of false positives. These "proof of principle" experiments were done with a tool that is integrated into a commercial MS vendor instrument operating software (UNIFI) as well as with a platform-independent MS tool (Mass Frontier). A total of 97 analytes belonging to different chemical families were separated by reversed phase liquid chromatography and detected in a data-independent acquisition (DIA) mode using ion mobility hyphenated with quadrupole time of flight mass spectrometry. The instrument was operated in the MSE mode with alternating low and high energy traces. The fragments observed from product ion spectra were investigated using a "chopping" bond disconnection algorithm and a rule-based algorithm. The bond disconnection algorithm clearly explained more analyte product ions and a greater percentage of the spectral abundance than the rule-based software (92 out of the 97 compounds produced ≥1 explainable fragment ions). On the other hand, tests with a complex blank matrix (bovine liver extract) indicated that the chopping algorithm reports significantly more false positive fragments than the rule based software. [Figure not available: see fulltext.

  12. On-line coupled LC-LC-GC for irradiation detection in complex lipid matrices

    International Nuclear Information System (INIS)

    Schulzki, G.; Spiegelberg, A.; Helle, N.; Boegl, K.W.; Schreiber, G.A.

    1993-01-01

    Since sample preparation with HPLC coupled on-line to the GC has been performed for only a few weeks in our laboratory, the results presented give a first look at what can be done by means of this technique. Even difficult samples as the described fish species, where an unequivocal identification regarding an irradiation treatment seemed to become a hopeless enterprise, could be managed. Because of the greater variety of fatty acids in fish ''new'' radiation-induced hydrocarbons were available. According to the theory of Nawar in addition to 16:2 and 17:2 hydrocarbons we have looked for in irradiated meat, further alkadienes appeared in irradiated fish, which were 14:2, 18:2 and 20:2. Analysis of the alkadiene-fraction, transferred to the GC after a two step LC clean up, resulted in an unequivocal identification of all fish samples as well as the fruits and sponge cake. For fruits and sponge cake the detection limit seems to be clearly below 0.5 kGy. It can further be lowered by increasing the amount of lipid whereas the upper limit for a certain LC column has to be determined. In contrast to these samples only qualitative results were obtained for fish. In the case of sponge cake for the first time irradiation of a component of a heat treated food was detected. Further investigations regarding reproducibility, dose dependence and detection limit have to be done. On-line coupled (LC-)LC-GC was proved to be a highly efficient method for analysis of complex samples. In contrast to off-line Florisil column chromatography only a small part of the initial lipid material is needed because the complete hydrocarbon fraction is transferred on-line to the GC. This offers the possibility to analyze even foods with a low fat content like various seafoods. Classification of the hydrocarbon fraction by a two step LC may facilitate the identification of the radiolytic products also if no mass spectrometric detection system is available. (orig./vhe)

  13. A nanosized cadmium(II)-imprinted polymer for use in selective trace determination of cadmium in complex matrices

    International Nuclear Information System (INIS)

    Behbahani, Mohammad; Bagheri, Akbar; Barati, Mozhgan; Pourali, Ali Reza; Tapeh, Nasim Akbari Ghareh; Bojdi, Majid Kalate

    2013-01-01

    We describe a nanosized Cd(II)-imprinted polymer that was prepared from 4-vinyl pyridine (the functional monomer), ethyleneglycol dimethacrylate (the cross-linker), 2,2′-azobisisobutyronitrile (the radical initiator), neocuproine (the ligand), and Cd(II) (the template ion) by precipitation polymerization in acetonitrile as the solvent. The imprinted polymer was characterized by X-ray diffraction, thermogravimetric analysis, differential thermal analysis, and scanning electron microscopy. The maximum adsorption capacity of the nanosized sorbent was calculated to be 64 mg g −1 . Cadmium(II) was then quantified by FAAS. The relative standard deviation and limit of detection are 4.2 % and 0.2 μg L −1 , respectively. The imprinted polymer displays improve selectivity for Cd(II) ions over a range of competing metal ions with the same charge and similar ionic radius. This nanosized sorbent is an efficient solid phase for selective extraction and preconcentration of Cd(II) in complex matrices. The method was successfully applied to the trace determination of Cd(II) in food and water samples. (author)

  14. SELECTED BIBLIOGRAPHY ON SUCCESSION IN COMPLEX ORGANIZATIONS.

    Science.gov (United States)

    THIEMANN, FRANCIS C.

    THIS DOCUMENT LISTS 56 JOURNAL ARTICLES, 18 BOOKS, 10 DOCTORAL DISSERTATIONS, AND TWO UNPUBLISHED PAPERS ON SUCCESSION IN COMPLEX ORGANIZATIONS PUBLISHED BETWEEN 1948 AND 1966. SOCIOLOGY CONTRIBUTED 40 OF THE BIBLIOGRAPHICAL ENTRIES, HISTORY AND POLITICAL SCIENCE 19, EDUCATION 16, PSYCHOLOGY SEVEN, AND BUSINESS FOUR. (HM)

  15. ELECTROPHORETIC MOBILITY OF MYCOBACTERIUM AVIUM COMPLEX ORGANISMS

    Science.gov (United States)

    The electrophoretic mobilities (EPMs) of thirty Mycobacterium avium Complex (MAC) organisms were measured. The EPMs of fifteen clinical isolates ranged from -1.9 to -5.0 µm cm V-1s-1, and the EPMs of fifteen environmental isolates ranged from -1...

  16. 3D bioprinting matrices with controlled pore structure and release function guide in vitro self-organization of sweat gland.

    Science.gov (United States)

    Liu, Nanbo; Huang, Sha; Yao, Bin; Xie, Jiangfan; Wu, Xu; Fu, Xiaobing

    2016-10-03

    3D bioprinting matrices are novel platforms for tissue regeneration. Tissue self-organization is a critical process during regeneration that implies the features of organogenesis. However, it is not clear from the current evidences whether 3D printed construct plays a role in guiding tissue self-organization in vitro. Based on our previous study, we bioprinted a 3D matrix as the restrictive niche for direct sweat gland differentiation of epidermal progenitors by different pore structure (300-μm or 400-μm nozzle diameters printed) and reported a long-term gradual transition of differentiated cells into glandular morphogenesis occurs within the 3D construct in vitro. At the initial 14-day culture, an accelerated cell differentiation was achieved with inductive cues released along with gelatin reduction. After protein release completed, the 3D construct guide the self-organized formation of sweat gland tissues, which is similar to that of the natural developmental process. However, glandular morphogenesis was only observed in 300-μm-printed constructs. In the absence of 3D architectural support, glandular morphogenesis was not occurred. This striking finding made us to identify a previously unknown role of the 3D-printed structure in glandular tissue regeneration, and this self-organizing strategy can be applied to forming other tissues in vitro.

  17. QSAR models for the removal of organic micropollutants in four different river water matrices

    KAUST Repository

    Sudhakaran, Sairam; Calvin, James; Amy, Gary L.

    2012-01-01

    Ozonation is an advanced water treatment process used to remove organic micropollutants (OMPs) such as pharmaceuticals and personal care products (PPCPs). In this study, Quantitative Structure Activity Relationship (QSAR) models, for ozonation

  18. Metal Complexes for Organic Optoelectronic Applications

    Science.gov (United States)

    Huang, Liang

    Organic optoelectronic devices have drawn extensive attention by over the past two decades. Two major applications for Organic optoelectronic devices are efficient organic photovoltaic devices(OPV) and organic light emitting diodes (OLED). Organic Solar cell has been proven to be compatible with the low cost, large area bulk processing technology and processed high absorption efficiencies compared to inorganic solar cells. Organic light emitting diodes are a promising approach for display and solid state lighting applications. To improve the efficiency, stability, and materials variety for organic optoelectronic devices, several emissive materials, absorber-type materials, and charge transporting materials were developed and employed in various device settings. Optical, electrical, and photophysical studies of the organic materials and their corresponding devices were thoroughly carried out. In this thesis, Chapter 1 provides an introduction to the background knowledge of OPV and OLED research fields presented. Chapter 2 discusses new porphyrin derivatives- azatetrabenzylporphyrins for OPV and near infrared OLED applications. A modified synthetic method is utilized to increase the reaction yield of the azatetrabenzylporphyrin materials and their photophysical properties, electrochemical properties are studied. OPV devices are also fabricated using Zinc azatetrabenzylporphyrin as donor materials. Pt(II) azatetrabenzylporphyrin were also synthesized and used in near infra-red OLED to achieve an emission over 800 nm with reasonable external quantum efficiencies. Chapter 3, discusses the synthesis, characterization, and device evaluation of a series of tetradentate platinum and palladium complexesfor single doped white OLED applications and RGB white OLED applications. Devices employing some of the developed emitters demonstrated impressively high external quantum efficiencies within the range of 22%-27% for various emitter concentrations. And the palladium complex, i

  19. Charging and exciton-mediated decharging of metal nanoparticles in organic semiconductor matrices

    International Nuclear Information System (INIS)

    Ligorio, Giovanni; Vittorio Nardi, Marco; Christodoulou, Christos; Florea, Ileana; Ersen, Ovidiu; Monteiro, Nicolas-Crespo; Brinkmann, Martin; Koch, Norbert

    2014-01-01

    Gold nanoparticles (Au-NPs) were deposited on the surface of n- and p-type organic semiconductors to form defined model systems for charge storage based electrically addressable memory elements. We used ultraviolet photoelectron spectroscopy to study the electronic properties and found that the Au-NPs become positively charged because of photoelectron emission, evidenced by spectral shifts to higher binding energy. Upon illumination with light that can be absorbed by the organic semiconductors, dynamic charge neutrality of the Au-NPs could be re-established through electron transfer from excitons. The light-controlled charge state of the Au-NPs could add optical addressability to memory elements

  20. Simultaneous quantification of iodine and high valent metals via ICP-MS under acidic conditions in complex matrices.

    Science.gov (United States)

    Brix, Kristina; Hein, Christina; Sander, Jonas Michael; Kautenburger, Ralf

    2017-05-15

    The determination of iodine as a main fission product (especially the isotopes I-129 and I-131) of stored HLW in a disposal beside its distribution as a natural ingredient of many different products like milk, food and seawater is a matter of particular interest. The simultaneous ICP-MS determination of iodine as iodide together with other elements (especially higher valent metal ions) relevant for HLW is analytically very problematic. A reliable ICP-MS quantification of iodide must be performed at neutral or alkaline conditions in contrast to the analysis of metal ions which are determined in acidic pH ranges. Herein, we present a method to solve this problem by changing the iodine speciation resulting in an ICP-MS determination of iodide as iodate. The oxidation from iodide to iodate with sodium hypochlorite at room temperature is a fast and convenient method with flexible reaction time, from one hour up to three days, thus eliminating the disadvantages of quantifying iodine species via ICP-MS. In the analysed concentration range of iodine (0.1-100µgL -1 ) we obtain likely quantitative recovery rates for iodine between 91% and 102% as well as relatively low RSD values (0.3-4.0%). As an additional result, it is possible to measure different other element species in parallel together with the generated iodate, even high valent metals (europium and uranium beside caesium) at recovery rates in the same order of magnitude (93-104%). In addition, the oxidation process operates above pH 7 thus offering a wide pH range for sample preparation. Even analytes in complex matrices, like 5M saline (NaCl) solution or artificial cement pore water (ACW) can be quantified with this robust sample preparation method. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. High laser-fluence deposition of organic materials in water ice matrices by ''MAPLE''

    DEFF Research Database (Denmark)

    Christensen, Bo Toftmann; Rodrigo, K.; Schou, Jørgen

    2005-01-01

    Matrix assisted pulsed laser evaporation (MAPLE) is a deposition technique for organic material. Water ice was used as a matrix for the biotechnologically important guest material, polyethylene glycol (PEG), for concentrations from 0.5 to 4 wt.%. The target was irradiated with 6 ns laser pulses...

  2. Catalytic Organic Transformations Mediated by Actinide Complexes

    Directory of Open Access Journals (Sweden)

    Isabell S. R. Karmel

    2015-10-01

    Full Text Available This review article presents the development of organoactinides and actinide coordination complexes as catalysts for homogeneous organic transformations. This chapter introduces the basic principles of actinide catalysis and deals with the historic development of actinide complexes in catalytic processes. The application of organoactinides in homogeneous catalysis is exemplified in the hydroelementation reactions, such as the hydroamination, hydrosilylation, hydroalkoxylation and hydrothiolation of alkynes. Additionally, the use of actinide coordination complexes for the catalytic polymerization of α-olefins and the ring opening polymerization of cyclic esters is presented. The last part of this review article highlights novel catalytic transformations mediated by actinide compounds and gives an outlook to the further potential of this field.

  3. Modified gum Arabic hydrogels as matrices for controlled release of curcumin supramolecular complexes; Hidrogeis de goma arabica modificada como matrizes para libertacao controlada de complexos supramoleculares de curcumina

    Energy Technology Data Exchange (ETDEWEB)

    Gerola, Adriana P.; Silva, Danielle C., E-mail: avalente@ci.uc.pt [Department of Chemistry, University of Coimbra, Coimbra (Portugal); Rubira, Adley F.; Muniz, Edvani C. [Universidade Estadual de Maringa (GMPC/UEM), PR (Brazil). Grupo de Materiais Polimericos e Compositos; Jesus, Sandra; Borges, Olga [Faculty of Pharmacy, University of Coimbra, Coimbra (Portugal)

    2015-07-01

    Modified gum Arabic (GA) hydrogels show a pH-responsive behavior making them excellent matrices to be used for oral administration of drugs. Our goal is to study the behavior of those matrices in simulated gastric and intestinal fluids. In this work we will present how the methacrylation degree of GA, by using glycidyl methacrylate, can affect the properties of these hydrogels for controlled release. The drug used in this work is the curcumin (Cur). Cur is associated with numerous pharmacological activities, but their application is limited by the low water solubility. We will present some studies involving the formation of host-guest complexes between Cur and natural cyclodextrins. Both modified GA and hydrogels were characterized by different techniques. The kinetics release of Cur complex-containing modified GA hydrogels was studied to have an insight on the release mechanism and rate constants. Toxicity studies on undifferentiated and differentiated Caco-2 were also carried out. (author)

  4. Application of headspace and direct immersion solid-phase microextraction in the analysis of organothiophosphates related to the Chemical Weapons Convention from water and complex matrices.

    Science.gov (United States)

    Althoff, Marc André; Bertsch, Andreas; Metzulat, Manfred; Klapötke, Thomas M; Karaghiosoff, Konstantin L

    2017-11-01

    The successful application of headspace (HS) and direct immersion (DI) solid phase microextraction (SPME) for the unambiguous identification and characterization of a series of toxic thiophosphate esters, such as Amiton (I), from aqueous phases and complex matrices (e.g. grass and foliage) has been demonstrated. A Thermo Scientific gas chromatograph (GC) - tandem mass spectrometer (MS/MS) system with a TriPlus RSH® autosampler and a SPME tool was used to investigate the effect of different parameters that influence the extraction efficiency: e.g. pH of the sample matrix and extraction temperature. The developed methods were employed for the detection of several Amiton derivatives (Schedule II of the CWC) that are structurally closely related to each other; some of which are new and have not been reported in literature previously. In addition, a novel DI SPME method from complex matrices for the analysis of organophosphates related to the CWC was developed. The studies clearly show that DI SPME for complex matrices is superior to HS extraction and can potentially be applied to other related compounds controlled under the CWC. Copyright © 2017. Published by Elsevier B.V.

  5. Immobilization of low and intermediate level of organic radioactive wastes in cement matrices

    Energy Technology Data Exchange (ETDEWEB)

    Eskander, S.B. [Radioisotopes Department, Atomic Energy Authority, Dokki, Cairo (Egypt); Abdel Aziz, S.M. [Middle Eastern Regional Radioisotope Centre for the Arab Countries, Dokki, Cairo (Egypt); El-Didamony, H. [Faculty of Science, Zagazig University, Zagazig, El-Sharkia (Egypt); Sayed, M.I., E-mail: mois_161272@yahoo.com [Middle Eastern Regional Radioisotope Centre for the Arab Countries, Dokki, Cairo (Egypt)

    2011-06-15

    Highlights: {yields} Solidification/stabilization of liquid scintillation waste. {yields} Resistance to frost attack. {yields} Retarding effect of scintillator waste was overcome by adding clay. {yields} Evaluation of the suitability of cement-clay composite to solidify and stabilize scintillation waste. - Abstract: The adequacy of cement-clay composite, for solidification/stabilization of organic radioactive spent liquid scintillator wastes and its resistance to frost attack were determined by a freezing/thawing (F/T) test. Frost resistance is assessed for the candidate cement-clay composite after 75 cycles of freezing and thawing by evaluating their mass durability index, compressive strength, apparent porosity, volume of open pores, water absorption, and bulk density. Infrared (IR), X-ray diffraction (XRD), differential thermal analysis (DTA), thermal gravimetric analysis (TGA) and scanning electron microscopy (SEM) were performed for the final waste form (FWF) before and after the F/T treatment to follow the changes that may take place in its microstructure during the hydration regime. The results were obtained indicate that the candidate composite exhibits acceptable resistance to freeze/thaw treatment and has adequate suitability to solidify and stabilize organic radioactive spent liquid scintillator wastes even at very exaggerating conditions (-50{sup Degree-Sign }C and +60{sup Degree-Sign }C ).

  6. Immobilization of low and intermediate level of organic radioactive wastes in cement matrices

    International Nuclear Information System (INIS)

    Eskander, S.B.; Abdel Aziz, S.M.; El-Didamony, H.; Sayed, M.I.

    2011-01-01

    Highlights: → Solidification/stabilization of liquid scintillation waste. → Resistance to frost attack. → Retarding effect of scintillator waste was overcome by adding clay. → Evaluation of the suitability of cement-clay composite to solidify and stabilize scintillation waste. - Abstract: The adequacy of cement-clay composite, for solidification/stabilization of organic radioactive spent liquid scintillator wastes and its resistance to frost attack were determined by a freezing/thawing (F/T) test. Frost resistance is assessed for the candidate cement-clay composite after 75 cycles of freezing and thawing by evaluating their mass durability index, compressive strength, apparent porosity, volume of open pores, water absorption, and bulk density. Infrared (IR), X-ray diffraction (XRD), differential thermal analysis (DTA), thermal gravimetric analysis (TGA) and scanning electron microscopy (SEM) were performed for the final waste form (FWF) before and after the F/T treatment to follow the changes that may take place in its microstructure during the hydration regime. The results were obtained indicate that the candidate composite exhibits acceptable resistance to freeze/thaw treatment and has adequate suitability to solidify and stabilize organic radioactive spent liquid scintillator wastes even at very exaggerating conditions (-50 ° C and +60 ° C ).

  7. Analytical pyrolysis-based study on intra-skeletal organic matrices from Mediterranean corals.

    Science.gov (United States)

    Adamiano, Alessio; Goffredo, Stefano; Dubinsky, Zvy; Levy, Oren; Fermani, Simona; Fabbri, Daniele; Falini, Giuseppe

    2014-09-01

    Off-line analytical pyrolysis combined with gas chromatography–mass spectroscopy (GC–MS), directly or after trimethylsilylation, along with infrared spectroscopy and amino acid analysis was applied for the first time to the characterization of the intra-skeletal organic matrix (OM) extracted from four Mediterranean hard corals. They were diverse in growth form and trophic strategy namely Balanophyllia europaea and Leptopsammia pruvoti—solitary corals, only the first having zooxanthelle—and Cladocora caespitosa and Astroides calycularis—colonial corals, only the first with zooxanthelle. Pyrolysis products evolved from OM could be assigned to lipid (e.g. fatty acids, fatty alcohols, monoacylglicerols), protein (e.g. 2,5-diketopiperazines, DKPs) and polysaccharide (e.g. anhydrosugars) precursors. Their quantitative distribution showed for all the species a low protein content with respect to lipids and polysaccharides. A chemometric approach using principal component analysis (PCA) and clustering analysis was applied on OM mean amino acidic compositions. The small compositional diversity across coral species was tentatively related with coral growth form. The presence of N-acetyl glucosamine markers suggested a functional link with other calcified tissues containing chitin. The protein fraction was further investigated using novel DKP markers tentatively identified from analytical pyrolysis of model polar linear dipeptides. Again, no correlation was observed in relation to coral ecology. These analytical results revealed that the bulk structure and composition of OMs among studied corals are similar, as it is the textural organization of the skeleton mineralized units. Therefore, they suggest that coral’s biomineralization is governed by similar macromolecules, and probably mechanisms, independently from their ecology.

  8. Organic complexant topical report. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    Meacham, J.E.; and others

    1997-06-26

    This document reviews the current understanding of hazards associated with the storage of organic complexant salts in Hanford Site high-level waste tanks. Two distinct hazards were evaluated: spontaneous self- accelerating decomposition reactions in the bulk material (bulk runaway) and ignition followed by condensed phase propagation (point source ignition). Results from the bulk runaway assessment showed that bulk runaway is not credible for all tanks except C-106. However, speciation of the organic in C-106 shows that it is almost all in the form of low energy oxalate, and there is little potential for a bulk runaway. Additional testing and evaluation would be necessary to definitely conclude that there is no potential for bulk runaway; therefore, controls are currently required for his tank. Temperature monitoring and controls (water addition and active ventilation) are adequate to prevent bulk runaway in C-106.

  9. Organic complexant topical report. Revision 1

    International Nuclear Information System (INIS)

    Meacham, J.E.

    1997-01-01

    This document reviews the current understanding of hazards associated with the storage of organic complexant salts in Hanford Site high-level waste tanks. Two distinct hazards were evaluated: spontaneous self- accelerating decomposition reactions in the bulk material (bulk runaway) and ignition followed by condensed phase propagation (point source ignition). Results from the bulk runaway assessment showed that bulk runaway is not credible for all tanks except C-106. However, speciation of the organic in C-106 shows that it is almost all in the form of low energy oxalate, and there is little potential for a bulk runaway. Additional testing and evaluation would be necessary to definitely conclude that there is no potential for bulk runaway; therefore, controls are currently required for his tank. Temperature monitoring and controls (water addition and active ventilation) are adequate to prevent bulk runaway in C-106

  10. Chemical interactions in complex matrices: Determination of polar impurities in biofuels and fuel contaminants in building materials

    Science.gov (United States)

    Baglayeva, Ganna

    The solutions to several real-life analytical and physical chemistry problems, which involve chemical interactions in complex matrices are presented. The possible interferences due to the analyte-analyte and analyte-matrix chemical interactions were minimized on each step of the performed chemical analysis. Concrete and wood, as major construction materials, typically become contaminated with fuel oil hydrocarbons during their spillage. In the catastrophic scenarios (e.g., during floods), fuel oil mixes with water and then becomes entrained within the porous structure of wood or concrete. A strategy was proposed for the efficient extraction of fuel oil hydrocarbons from concrete to enable their monitoring. The impacts of sample aging and inundation with water on the extraction efficiency were investigated to elucidate the nature of analytematrix interactions. Two extraction methods, 4-days cold solvent extraction with shaking and 24-hours Soxhlet extraction with ethylacetate, methanol or acetonitrile yielded 95-100 % recovery of fuel oil hydrocarbons from concrete. A method of concrete remediation after contamination with fuel oil hydrocarbons using activated carbon as an adsorbent was developed. The 14 days remediation was able to achieve ca. 90 % of the contaminant removal even from aged water-submerged concrete samples. The degree of contamination can be qualitatively assessed using transport rates of the contaminants. Two models were developed, Fickian and empirical, to predict long-term transport behavior of fuel oil hydrocarbons under flood representative scenarios into wood. Various sorption parameters, including sorption rate, penetration degree and diffusion coefficients were obtained. The explanations to the observed three sorption phases are provided in terms of analyte-matrix interactions. The detailed simultaneous analysis of intermediate products of the cracking of triacylglycerol oils, namely monocarboxylic acids, triacyl-, diacyl- and

  11. Self-organization in a simple model of adaptive agents playing 2 x 2 games with arbitrary payoff matrices.

    Science.gov (United States)

    Fort, H; Viola, S

    2004-03-01

    We analyze, both analytically and numerically, the self-organization of a system of "selfish" adaptive agents playing an arbitrary iterated pairwise game (defined by a 2 x 2 payoff matrix). Examples of possible games to play are the prisoner's dilemma (PD) game, the chicken game, the hero game, etc. The agents have no memory, use strategies not based on direct reciprocity nor "tags" and are chosen at random, i.e., geographical vicinity is neglected. They can play two possible strategies: cooperate (C) or defect (D). The players measure their success by comparing their utilities with an estimate for the expected benefits and update their strategy following a simple rule. Two versions of the model are studied: (1) the deterministic version (the agents are either in definite states C or D) and (2) the stochastic version (the agents have a probability c of playing C). Using a general master equation we compute the equilibrium states into which the system self-organizes, characterized by their average probability of cooperation c(eq). Depending on the payoff matrix, we show that c(eq) can take five different values. We also consider the mixing of agents using two different payoff matrices and show that any value of c(eq) can be reached by tuning the proportions of agents using each payoff matrix. In particular, this can be used as a way to simulate the effect of a fraction d of "antisocial" individuals--incapable of realizing any value to cooperation--on the cooperative regime hold by a population of neutral or "normal" agents.

  12. Electrospun poly(ε-caprolactone) matrices containing silver sulfadiazine complexed with β-cyclodextrin as a new pharmaceutical dosage form to wound healing: preliminary physicochemical and biological evaluation.

    Science.gov (United States)

    Souza, Sarah Oliveira Lamas; Cotrim, Monique Alvarenga Pinto; Oréfice, Rodrigo Lambert; Carvalho, Suzana Gonçalves; Dutra, Jessyca Aparecida Paes; de Paula Careta, Francisco; Resende, Juliana Alves; Villanova, Janaina Cecília Oliveira

    2018-05-10

    Cooperation between researchers in the areas of medical, pharmaceutical and materials science has facilitated the development of pharmaceutical dosage forms that elicit therapeutic effects and protective action with a single product. In addition to optimizing pharmacologic action, such dosage forms provide greater patient comfort and increase success and treatment compliance. In the present work, we prepared semipermeable bioactive electrospun fibers for use as wound dressings containing silver sulfadiazine complexed with β-cyclodextrin in a poly(Ɛ-caprolactone) nanofiber matrix aiming to reduce the direct contact between silver and skin and to modulate the drug release. Wound dressings were prepared by electrospinning, and were subjected to ATR-FT-IR and TG/DTG assays to evaluate drug stability. The hydrophilicity of the fibrous nanostructure in water and PBS buffer was studied by goniometry. Electrospun fibers permeability and swelling capacity were assessed, and a dissolution test was performed. In vitro biological tests were realized to investigate the biological compatibility and antimicrobial activity. We obtained flexible matrices that were each approximately 1.0 g in weight. The electrospun fibers were shown to be semipermeable, with water vapor transmission and swelling indexes compatible with the proposed objective. The hydrophilicity was moderate. Matrices containing pure drug modulated drug release adequately during 24 h but presented a high hemolytic index. Complexation promoted a decrease in the hemolytic index and in the drug release but did not negatively impact antimicrobial activity. The drug was released predominantly by diffusion. These results indicate that electrospun PCL matrices containing β-cyclodextrin/silver sulfadiazine inclusion complexes are a promising pharmaceutical dosage form for wound healing.

  13. Complex conductivity of organic-rich shales

    Science.gov (United States)

    Woodruff, W. F.; Revil, A.; Torres-Verdin, C.

    2013-12-01

    We can accurately determine the intrinsic anisotropy and material properties in the laboratory, providing empirical evidence of transverse isotropy and the polarization of the organic and metallic fractions in saturated and unsaturated shales. We develop two distinct approaches to obtain the complex conductivity tensor from spectral induced polarization (SIP) measurements. Experimental results indicate clear anisotropy, and characterize the effects of thermal maturation, TOC, and pyrite, aiding in the calibration and interpretation of geophysical data. SIP is a non-intrusive measurement, sensitive to the surface conductance of mineral grains, frequency-dependent polarization of the electrical double layer, and bulk conductivity of the pore water. The in-phase and quadrature components depend upon parameters of principal importance in unconventional shale formation evaluation (e.g., the distribution of pore throat sizes, formation factor, permeability, salinity and cation exchange capacity (CEC), fluid saturation and wettability). In addition to the contribution of the electrical double layer of non-conducting minerals to surface conductivity, we have observed a clear relaxation associated with kerogen pyrolysis, pyrite distribution, and evidence that the CEC of the kerogen fraction may also contribute, depending on thermal maturation history. We utilize a recent model for anisotropic complex conductivity, and rigorous experimental protocols to quantify the role of kerogen and pyrolysis on surface and quadrature conductivity in mudrocks. The complex conductivity tensor σ* describes the directional dependence of electrical conduction in a porous medium, and accounts for both conduction and polarization. The complex-valued tensor components are given as σ*ij , where σ'ij represents in-phase and σ"ij denotes quadrature conductivities. The directional dependence of the complex conductivity tensor is relegated to the textural properties of the material. The

  14. Formal matrices

    CERN Document Server

    Krylov, Piotr

    2017-01-01

    This monograph is a comprehensive account of formal matrices, examining homological properties of modules over formal matrix rings and summarising the interplay between Morita contexts and K theory. While various special types of formal matrix rings have been studied for a long time from several points of view and appear in various textbooks, for instance to examine equivalences of module categories and to illustrate rings with one-sided non-symmetric properties, this particular class of rings has, so far, not been treated systematically. Exploring formal matrix rings of order 2 and introducing the notion of the determinant of a formal matrix over a commutative ring, this monograph further covers the Grothendieck and Whitehead groups of rings. Graduate students and researchers interested in ring theory, module theory and operator algebras will find this book particularly valuable. Containing numerous examples, Formal Matrices is a largely self-contained and accessible introduction to the topic, assuming a sol...

  15. Organization structures for dealing with complexity

    NARCIS (Netherlands)

    Meijer, B.R.

    2006-01-01

    "Complexity is in the eye of the beholder" is a well known quote in the research field of complexity. In the world of managers the word complex is often a synonym for difficult, complicated, involving many factors and highly uncertain. A complex business decision requires careful preparation and

  16. System dynamics in complex psychiatric treatment organizations.

    Science.gov (United States)

    Rosenheck, R

    1988-05-01

    One of the major challenges facing contemporary psychiatry is the coordination of diverse services through organizational integration. With increasing frequency, psychiatric treatment takes place in complex treatment systems composed of multiple inpatient and outpatient programs. Particularly in public health care systems serving the chronically ill, contemporary practice demands a broad spectrum of programs, often geographically dispersed, that include crisis intervention teams, day treatment programs, substance abuse units, social rehabilitation programs and halfway houses (Bachrach 1983; Turner and TenHoor 1978). Individualized treatment planning often requires that a particular patient participate in two or more specialized programs either simultaneously or in a specified sequence. As a consequence of this specialization, treatment fragmentation has emerged as a significant clinical problem, and continuity of care has been highlighted as a valuable but elusive ingredient of optimal treatment. This paper will describe the dynamic interactions that result when several such programs are united under a common organizational roof. Using a large VA Psychiatry Service as an example, I will outline the hierarchical structure characteristic of such an organization, as well as the persistent pulls toward both integration and fragmentation that influence its operation.

  17. Complexity-management in SME : organization of complex relationships

    NARCIS (Netherlands)

    Gregus, M.; Mandorf, S.

    2009-01-01

    The complexity of companies' environment IS growmg. Complexity management and restructuring of small and medium-sized enterprises (SME) become big challenges of business studies in the next future. A chance could be seen in the use of e-business strategies and the implementation of information

  18. Averaging operations on matrices

    Indian Academy of Sciences (India)

    2014-07-03

    Jul 3, 2014 ... Role of Positive Definite Matrices. • Diffusion Tensor Imaging: 3 × 3 pd matrices model water flow at each voxel of brain scan. • Elasticity: 6 × 6 pd matrices model stress tensors. • Machine Learning: n × n pd matrices occur as kernel matrices. Tanvi Jain. Averaging operations on matrices ...

  19. Quantum interference experiments with complex organic molecules

    International Nuclear Information System (INIS)

    Eibenberger, S. I.

    2015-01-01

    Matter-wave interference with complex particles is a thriving field in experimental quantum physics. The quest for testing the quantum superposition principle with highly complex molecules has motivated the development of the Kapitza-Dirac-Talbot-Lau interferometer (KDTLI). This interferometer has enabled quantum interference with large organic molecules in an unprecedented mass regime. In this doctoral thesis I describe quantum superposition experiments which we were able to successfully realize with molecules of masses beyond 10 000 amu and consisting of more than 800 atoms. The typical de Broglie wavelengths of all particles in this thesis are in the order of 0.3-5 pm. This is significantly smaller than any molecular extension (nanometers) or the delocalization length in our interferometer (hundreds of nanometers). Many vibrational and rotational states are populated since the molecules are thermally highly excited (300-1000 K). And yet, high-contrast quantum interference patterns could be observed. The visibility and position of these matter-wave interference patterns is highly sensitive to external perturbations. This sensitivity has opened the path to extensive studies of the influence of internal molecular properties on the coherence of their associated matter waves. In addition, it enables a new approach to quantum-assisted metrology. Quantum interference imprints a high-contrast nano-structured density pattern onto the molecular beam which allows us to resolve tiny shifts and dephasing of the molecular beam. I describe how KDTL interferometry can be used to investigate a number of different molecular properties. We have studied vibrationally-induced conformational changes of floppy molecules and permanent electric dipole moments using matter-wave deflectometry in an external electric field. We have developed a new method for optical absorption spectroscopy which uses the recoil of the molecules upon absorption of individual photons. This allows us to

  20. Exploratory Project: Rigid nanostructured organic polymer monolith for in situ collection and analysis of plant metabolites from soil matrices

    Energy Technology Data Exchange (ETDEWEB)

    Tharayil, Nishanth [Clemson Univ., SC (United States)

    2016-06-29

    Plant metabolites released from litter leachates and root exudates enable plants to adapt and survive in a wide range of habitats by facilitating resource foraging and plant-organismal interactions, and could influence soil carbon storage. The biological functions of these plant inputs and the organismal interactions they facilitate in soil are strictly governed by their composition and molecular identity. Our current understanding about the molecular identity of exudates is based on physiological studies that are done in soil-less axenic cultures. On the other hand, ecological studies that rely on isotope labeling to track the fluxes of carbon from plants to soil have found the complexities of soil-microbe matrices as an insurmountable barrier to undertake any meaningful molecular level characterization of plant inputs. Although it is constantly advocated to undertake a molecular level identification of the dynamicity of plant metabolites in soils, the complexity of soil system has thus far prevented any such endeavors. We developed polymeric probes through in-situ polymerization of poly(styrene-co-vinylbenzyl chloride-co-divinylbenzene) to elucidate the chemical environment of the soil to which the plant roots are exposed. Hypercrosslinking of the polymeric probes through an in-situ Friedel-Crafts alkylation significantly increased the surface area and the sorption capacity of the probes. Surface functionalization of the probes using a hybrid approach was also attempted. The efficacy of these probes was tested using batch equilibration. Scanning electron microscopy revealed extensive modification of the surface of the probes through hypercrosslinking. The probes exhibited a lower site specific sorption (slope of Freundlich adsorption isotherm close to unity) and percent recovery of the sorbed compounds from the probes were >70, indicating a predominance of reversible sorption. Further we imparted specificity to this copolymer matrix by using molecular

  1. Maintaining Situational Awareness in Large, Complex Organizations

    National Research Council Canada - National Science Library

    Carreno, Jose; Galdorisi, George; Goshorn, Rebekah

    2006-01-01

    .... Another solution, gaining popularity in the business sector, is environmental scanning. Environmental scanning identifies, collects, translates and applies information about external events that influence an organization's strategic landscape...

  2. Chromosome organizaton in simple and complex unicellular organisms.

    Science.gov (United States)

    O'Sullivan, Justin M

    2011-01-01

    The genomes of unicellular organisms form complex 3-dimensional structures. This spatial organization is hypothesized to have a significant role in genomic function. Spatial organization is not limited solely to the three-dimensional folding of the chromosome(s) in genomes but also includes genome positioning, and the folding and compartmentalization of any additional genetic material (e.g. episomes) present within complex genomes. In this comment, I will highlight similarities in the spatial organization of eukaryotic and prokaryotic unicellular genomes.

  3. Risk management integration into complex project organizations

    Science.gov (United States)

    Fisher, K.; Greanias, G.; Rose, J.; Dumas, R.

    2002-01-01

    This paper describes the approach used in designing and adapting the SIRTF prototype, discusses some of the lessons learned in developing the SIRTF prototype, and explains the adaptability of the risk management database to varying levels project complexity.

  4. Discourse, complexity and sustainability ambiental in organizations

    Directory of Open Access Journals (Sweden)

    Clóvis Ricardo Montenegro de Lima

    2015-08-01

    Full Text Available In this article we seek to conduct an investigation into the dynamics of internalization of environmental sustainability in a productive organization of the sugarcane industry. The theoretical discussion is developed from the criticism of Jurgen Habermas to systemic functionalism of Niklas Luhmann. Also, we discuss the theme environmental public sphere and administration of environmental sustainability as a way of adapting organizations to new quality standards required and demanded by the State, Market and Society. The methodological procedures used were: interviews, document analysis and closed questionnaire application. The questionnaire used with 12 representatives of the plant has thirty (30 assertive, accompanied each of two extreme scenarios. The results show that the organization started to internalize environmental sustainability in their organizational system from a Conduct Adjustment Term, prepared by the Public Ministry State. As well as to internalize sustainable practices were adapted in different areas such as: organizational management, procurement, production management, people management and marketing management.

  5. Nitrosonium complexes of organic compounds. Structure and reactivity

    International Nuclear Information System (INIS)

    Borodkin, Gennady I; Shubin, Vyacheslav G

    2001-01-01

    Data on the structures and reactivities of nitrosonium complexes of organic compounds are systematised and generalised. The characteristic features of the electronic structure of the NO + cation are responsible for a wide structural variety of nitrosonium complexes. Reactions of nitrosonium complexes are described. The bibliography includes 172 references.

  6. Comparative In Vitro Controlled Release Studies on the Chronobiotic Hormone Melatonin from Cyclodextrins-Containing Matrices and Cyclodextrin: Melatonin Complexes.

    Science.gov (United States)

    Vlachou, Marilena; Papamichael, Marianna; Siamidi, Angeliki; Fragouli, Irene; Afroudakis, Pandelis A; Kompogennitaki, Rodanthi; Dotsikas, Yannis

    2017-07-28

    A series of hydrophilic matrix tablets was prepared and tested with respect to their ability to release the hormone melatonin in a controlled manner, in order to alleviate sleep onset and sleep maintenance dysfunctions. Besides the active ingredient, the tablets were comprised of combinations of the following: HPMC K 15M, low viscosity sodium alginate, microcrystalline cellulose (Avicel PH 102), magnesium stearate, and the cyclodextrins, α-CD, β-CD, γ-CD, HP-β-CD, sulfated β-CD, HP-α-CD and HP-γ-CD, and MLT (guest):CD (host) complexes of the above cyclodextrins, in 1:1 ratio. The controlled release studies were conducted in two aqueous dissolution media at pH 1.2 and 7.4. The stoichiometry of the formed complexes was examined by applying the continuous variation method (Job plot), while the stability constants were calculated by monitoring the spectrophotometric properties of free and CD-encapsulated melatonin (UV-Vis). Host-guest interactions were studied by Nuclear Magnetic Resonance (NMR) spectroscopy. The dissolution data suggest that melatonin is released faster from the MLT:CD complexes than from the rest matrix systems. This enhancement in the dissolution rate and the % release of melatonin from the complexes is due to the increased solubility of the MLT:CD complexes.

  7. Functional self-organization in complex systems

    Energy Technology Data Exchange (ETDEWEB)

    Fontana, W. (Los Alamos National Lab., NM (USA) Santa Fe Inst., NM (USA))

    1990-01-01

    A novel approach to functional self-organization is presented. It consists of a universe generated by a formal language that defines objects (=programs), their meaning (=functions), and their interactions (=composition). Results obtained so far are briefly discussed. 17 refs., 5 figs.

  8. Determination of sub-parts per billion levels of copper in complex matrices by adsorptive string voltammetry on a mercury electrode

    International Nuclear Information System (INIS)

    Shahbaazi, H.R.; Shahbaazi, H.R.; Safavi, A.; Maleki, N.

    2008-01-01

    The voltammetric characteristics of Cu(II)-SSA complex at the mercury electrode were investigated. An analytical method that based on the adsorptive accumulation of Cu(II)-SSA complex followed by the reduction of the complexed copper was developed for the copper determination in complex matrices in presence of the large amount of foreign ions. Adsorptive voltammetry determination showed that the Cu(II)-SSA complex behaves irreversibly exchanging two electrons on the hanging mercury drop electrode (HMDE). Factor affecting on the complextion, accumulation and stripping steps were studied and a procedure was developed. The instrumental parameters in the measurement step were also tested. The optimum conditions of pH, SSA concentration, accumulation potential and accumulation time were studied. Under optimal conditions (pH=12.9 glycin Buffer, 7 x 10 - '3 M SSA and accumulation potential -100 mV vs. Ag/ AgCl), a linear calibration graph in the range 1.25 μg L -1 to 42.5 μg L'- 1 and a detection limit of 0.8 μ L -1 were obtained. The average relative standard deviation (RSD) for seven determinations was calculated as 7 %, 5.5 % and 3 % for the concentrations between 3, 15 and 23 μg L'- 1 . The effect of foreign ions and surfactants on the peak height of Cu(II)-SSA complex was evaluated. The method was applied for the determination of the copper in different real samples such as crude oil, crude oil tank button sludge, waste water and tap water samples. The accuracy of the results was checked by ICP. (author)

  9. Study of the degradation of organic molecules complexing radionuclides by using Advanced Oxidation Processes

    International Nuclear Information System (INIS)

    Rekab, K.

    2014-01-01

    This research thesis reports the study of the application of two AOPs (Advanced Oxidation Processes) to degrade and mineralise organic molecules which are complexing radio-elements, and thus to allow their concentrations by trapping on mineral matrices. EDTA (ethylene diamine tetraacetic acid) is chosen as reference organic complexing agent for preliminary tests performed with inactive cobalt 59 before addressing actual nuclear effluents with active cobalt 60. The author first presents the industrial context (existing nuclear wastes, notably liquid effluents and their processing) and proposes an overview of the state of the art on adsorption and precipitation of cobalt (natural and radioactive isotope). Then, the author presents the characteristics of the various studied oxides, the photochemical reactor used to perform tests, experimental techniques and operational modes. Results are then presented regarding various issues: adsorption of EDTA and the Co-EDTA complex, and cobalt precipitation; determination of the lamp photon flow by chemical actinometry and by using the Keitz method; efficiency of different processes (UV, UV/TiO 2 , UV/H 2 O 2 ) to degrade EDTA and to degrade the Co-EDTA complex; processing of a nuclear effluent coming from La Hague pools with determination of decontamination factors

  10. Detection of irradiated constituents in processed food with complex lipid matrices. Results of a research project of Baden-Wuerttemberg

    International Nuclear Information System (INIS)

    Hartmann, M.; Ammon, J.; Berg, H.

    1999-01-01

    The detection of irradiated constituents in processed food with a complex lipid matrix can be adversely affected by two conditions. The small amounts of radiation-induced hydrocarbons are diluted by the fat matrix of the food, or there are substances accompanying the lipids in the matrix and thus make the analysis more difficult. In those cases, sample preparation alone by means of Florisil SPE (solid-phase extraction) is not enough and requires additional, subsequent SPE argentation chromatography of the Florisil eluate, as this latter analytical method permits reliable detection down to very small amounts of irradiated, fat-containing constituents even in a complex lipid matrix. SPE-Florisil/argentation chromatography detects and selects radiation-induced hydrocarbons in a complex lipid matrix, so that detection of irradiation at even very low doses down to 0.025 kGy is possible. The method described is highly sensitive, inexpensive, and easy to apply. It efficiently substitutes such complex preparation or measuring methods as SFE-GC/MS or LC-GC/MS. This highly sensitive testing method for detection of food irradiation can be carried out in almost any analytical laboratory. (orig./CB) [de

  11. Resolution of Hanford tanks organic complexant safety issue

    International Nuclear Information System (INIS)

    Kirch, N.W.

    1998-01-01

    The Hanford Site tanks have been assessed for organic complexant reaction hazards. The results have shown that most tanks contain insufficient concentrations of TOC to support a propagating reaction. It has also been shown that those tanks where the TOC concentration approaches levels of concern, degradation of the organic complexants to less energetic compounds has occurred. The results of the investigations have been documented. The residual organic complexants in the Hanford Site waste tanks do not present a safety concern for long-term storage

  12. Towards a fully automated lab-on-a-disc system integrating sample enrichment and detection of analytes from complex matrices

    DEFF Research Database (Denmark)

    Andreasen, Sune Zoëga

    the technology on a large scale from fulfilling its potential for maturing into applied technologies and products. In this work, we have taken the first steps towards realizing a capable and truly automated “sample-to-answer” analysis system, aimed at small molecule detection and quantification from a complex...... sample matrix. The main result is a working prototype of a microfluidic system, integrating both centrifugal microfluidics for sample handling, supported liquid membrane extraction (SLM) for selective and effective sample treatment, as well as in-situ electrochemical detection. As a case study...

  13. Inverse m-matrices and ultrametric matrices

    CERN Document Server

    Dellacherie, Claude; San Martin, Jaime

    2014-01-01

    The study of M-matrices, their inverses and discrete potential theory is now a well-established part of linear algebra and the theory of Markov chains. The main focus of this monograph is the so-called inverse M-matrix problem, which asks for a characterization of nonnegative matrices whose inverses are M-matrices. We present an answer in terms of discrete potential theory based on the Choquet-Deny Theorem. A distinguished subclass of inverse M-matrices is ultrametric matrices, which are important in applications such as taxonomy. Ultrametricity is revealed to be a relevant concept in linear algebra and discrete potential theory because of its relation with trees in graph theory and mean expected value matrices in probability theory. Remarkable properties of Hadamard functions and products for the class of inverse M-matrices are developed and probabilistic insights are provided throughout the monograph.

  14. Mitofilin complexes : conserved organizers of mitochondrial membrane architecture

    NARCIS (Netherlands)

    Zerbes, Ralf M.; van der Klei, Ida J.; Veenhuis, Marten; Pfanner, Nikolaus; van der Laan, Martin; Bohnert, Maria

    2012-01-01

    Mitofilin proteins are crucial organizers of mitochondrial architecture. They are located in the inner mitochondrial membrane and interact with several protein complexes of the outer membrane, thereby generating contact sites between the two membrane systems of mitochondria. Within the inner

  15. Modelling the self-organization and collapse of complex networks

    Indian Academy of Sciences (India)

    Modelling the self-organization and collapse of complex networks. Sanjay Jain Department of Physics and Astrophysics, University of Delhi Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore Santa Fe Institute, Santa Fe, New Mexico.

  16. Introducing Capillary Electrophoresis with Laser-Induced Fluorescence (CE-LIF) as a Potential Analysis and Quantification Tool for Galactooligosaccharides Extracted from Complex Food Matrices

    NARCIS (Netherlands)

    Albrecht, S.A.; Schols, H.A.; Klarenbeek, B.; Voragen, A.G.J.; Gruppen, H.

    2010-01-01

    The analysis and quantification of (galacto)oligosaccharides from food matrices demands both a reproducible extraction method as well as a sensitive and accurate analytical method. Three typical matrices, namely, infant formula, fruit juice, and a maltodextrin-rich preparation, to which a commercial

  17. Use of 2-mercaptopyridine for the determination of alkylating agents in complex matrices: application to dimethyl sulfate.

    Science.gov (United States)

    Hoogerheide, J G; Scott, R A

    2005-01-30

    A rapid and sensitive method for the determination of alkylating agents in complex reaction mixtures was developed and characterized. Analyses are based on the alkylation of 2-mercaptopyridine by the analyte; the derivative is separated by RP-HPLC and measured by fluorescence detection. When applied to the determination of dimethyl sulfate, the method is linear over four orders of magnitude: 0.01-10mugmL(-1). By using recrystallized 2-mercaptopyridine, quantitation limits of 10ngmL(-1) can be achieved. Precision of the assay is 2% R.S.D. in the 1-10mugmL(-1) range and about 15% R.S.D. at 10ngmL(-1). Studies on the pH dependence of the derivatization reaction were key to minimizing interference from the dimethyl sulfate degradation product, monomethyl sulfate, in quenched reaction samples.

  18. Diffusion, sorption and stability of radionuclide-organic complexes in clays and clay-organic complexes

    International Nuclear Information System (INIS)

    Staunton, S.; Rees, L.V.C.

    1991-01-01

    The dependence on various parameters of the diffusion coefficient of neptunium (V) in clay systems has been studied. The effect of the clay mineralogy, the charge compensating cation in the clay, the ionic strength of a background perchlorate solution and the presence of three organic ligands have been investigated. The diffusion coefficients were compared to those predicted if diffusion occurred only in the liquid phase and adsorption was reversible; agreement was fairly good. An approximation to the diffusion coefficient can thus be obtained from readily measured experimental parameters. There is no evidence of surface phase diffusion. The most significant factor in determining the diffusion coefficient is the magnitude of the distribution ratio, itself highly dependent on the nature of the clay. Neither EDTA nor citrate modified the diffusion coefficient. Although the presence of 1 or 100 mg dm -3 of Aldrich humic acid had little effect on the distribution ratio of neptunium, it caused a lowering of the measured diffusion coefficient. This is interpreted in terms of the limiting liquid phase diffusion coefficient and the true liquid phase impedance factor of neptunium-humic acid complexes. 21 figs; 3 tabs; 20 refs

  19. Persistence of urban organic aerosols composition: Decoding their structural complexity and seasonal variability

    International Nuclear Information System (INIS)

    Matos, João T.V.; Duarte, Regina M.B.O.; Lopes, Sónia P.; Silva, Artur M.S.; Duarte, Armando C.

    2017-01-01

    Organic Aerosols (OAs) are typically defined as highly complex matrices whose composition changes in time and space. Focusing on time vector, this work uses two-dimensional nuclear magnetic resonance (2D NMR) techniques to examine the structural features of water-soluble (WSOM) and alkaline-soluble organic matter (ASOM) sequentially extracted from fine atmospheric aerosols collected in an urban setting during cold and warm seasons. This study reveals molecular signatures not previously decoded in NMR-related studies of OAs as meaningful source markers. Although the ASOM is less hydrophilic and structurally diverse than its WSOM counterpart, both fractions feature a core with heteroatom-rich branched aliphatics from both primary (natural and anthropogenic) and secondary origin, aromatic secondary organics originated from anthropogenic aromatic precursors, as well as primary saccharides and amino sugar derivatives from biogenic emissions. These common structures represent those 2D NMR spectral signatures that are present in both seasons and can thus be seen as an “annual background” profile of the structural composition of OAs at the urban location. Lignin-derived structures, nitroaromatics, disaccharides, and anhydrosaccharides signatures were also identified in the WSOM samples only from periods identified as smoke impacted, which reflects the influence of biomass-burning sources. The NMR dataset on the H–C molecules backbone was also used to propose a semi-quantitative structural model of urban WSOM, which will aid efforts for more realistic studies relating the chemical properties of OAs with their atmospheric behavior. - Highlights: • 2D NMR spectroscopy was used to decode urban organic aerosols. • Water and alkaline soluble components of urban organic aerosols have been compared. • Persistence of urban organic aerosols composition across different seasons. • Annual background profile of the structural features of urban organic aerosols. • Semi

  20. Application of Microwave Irradiation to Rapid Organic Inclusion Complex

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    @@ Microwave irradiation has been used in chemical laboratories for moisture analysis and wet asking procedures of biological and geological materials for a number of years [1]. More recently the microwave irradiation also widely used for rapid organic synthesis [2]. However, there have not yet been any reports concerning the ultilisatioin of microwave ovens in the routine organic inclusion complex regularly in chemical research.

  1. Lectures on matrices

    CERN Document Server

    M Wedderburn, J H

    1934-01-01

    It is the organization and presentation of the material, however, which make the peculiar appeal of the book. This is no mere compendium of results-the subject has been completely reworked and the proofs recast with the skill and elegance which come only from years of devotion. -Bulletin of the American Mathematical Society The very clear and simple presentation gives the reader easy access to the more difficult parts of the theory. -Jahrbuch über die Fortschritte der Mathematik In 1937, the theory of matrices was seventy-five years old. However, many results had only recently evolved from sp

  2. Organic pollutant levels in an agricultural watershed: the importance of analyzing multiple matrices for assessing stream water pollution.

    Science.gov (United States)

    Gonzalez, Mariana; Miglioranza, Karina S B; Grondona, Sebastían I; Silva Barni, Maria Florencia; Martinez, Daniel E; Peña, Aránzazu

    2013-04-01

    This study is aimed at analyzing the occurrence and transport of organochlorine pesticides (OCPs), polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) in the Quequén Grande river basin, as representative of a catchment under diffuse pollution sources. Pollutant levels in soils, river bottom sediments (RBS), streamwater (Sw), suspended particle materials (SPMs), macrophytes and muscle of silverside were determined by GC-ECD. Soil K(d) values for the current-used insecticides, endosulfans and cypermethrin, were established. Total levels (ng g(-1) dry weight) in soil ranged between 0.07–0.9 for OCPs, 0.03–0.37 for PCBs and 0.01–0.05 for PBDEs. Endosulfan insecticide (α- + b- + sulfate metabolite) represented up to 72.5% of OCPs. The low soil retention for α-endosulfan (K(d): 77) and endosulfan sulfate (K(d): 100) allows their transport to Sw, SPM and RBS. Levels of endosulfan in Sw in some cases exceeded the value postulated by international guidelines for aquatic biota protection (3 ng L(-1)). PCB and PBDE pollution was related to harbour, dumping sites and pile tire burning. Tri and hexa PCB congeners predominated in all matrices and exceeded the quality guideline value of 0.04 ng L(-1) in Sw. Considering levels in silverside muscle, none of the oral reference doses were exceeded, however, PCBs accounted for 18.6% of the total daily allowed ingest for a 70 kg individual. Although the levels of PCBs and OCPs in soil and RBS were low and did not go beyond quality guidelines, these compounds could still represent a risk to aquatic biota and humanbeings, and thus actions towards preventing this situation should be undertaken.

  3. Complexation of lead by organic matter in Luanda Bay, Angola.

    Science.gov (United States)

    Leitão, Anabela; Santos, Ana Maria; Boaventura, Rui A R

    2015-10-01

    Speciation is defined as the distribution of an element among different chemical species. Although the relation between speciation and bioavailability is complex, the metal present as free hydrated ion, or as weak complexes able to dissociate, is usually more bioavailable than the metal incorporated in strong complexes or adsorbed on colloidal or particulate matter. Among the analytical techniques currently available, anodic stripping voltammetry (ASV) has been one of the most used in the identification and quantification of several heavy metal species in aquatic systems. This work concerns the speciation study of lead, in original (natural, non-filtered) and filtered water samples and in suspensions of particulate matter and sediments from Luanda Bay (Angola). Complexes of lead with organics were identified and quantified by differential pulse anodic stripping voltammetry technique. Each sample was progressively titrated with a Pb(II) standard solution until complete saturation of the organic ligands. After each addition of Pb(II), the intensity, potential and peak width of the voltammetric signal were measured. The results obtained in this work show that more than 95 % of the lead in the aquatic environment is bound in inert organic complexes, considering all samples from different sampling sites. In sediment samples, the lead is totally (100 %) complexed with ligands adsorbed on the particles surface. Two kinds of dominant lead complexes, very strong (logK >11) and strong to moderately strong (8< logK <11), were found, revealing the lead affinity for the stronger ligands.

  4. QuEChERS sample preparation for the determination of pesticides and other organic residues in environmental matrices: a critical review.

    Science.gov (United States)

    Bruzzoniti, Maria Concetta; Checchini, Leonardo; De Carlo, Rosa Maria; Orlandini, Serena; Rivoira, Luca; Del Bubba, Massimo

    2014-07-01

    Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) is an extraction and clean-up technique originally developed for recovering pesticide residues from fruits and vegetables. Since its introduction, and until December 2013, about 700 papers have been published using the QuEChERS technique, according to a literature overview carried out using SciFinder, Elsevier SciVerse, and Google search engines. Most of these papers were dedicated to pesticide multiresidue analysis in food matrices, and this topic has been thoroughly reviewed over recent years. The QuEChERS approach is now rapidly developing beyond its original field of application to analytes other than pesticides, and matrices other than food, such as biological fluids and non-edible plants, including Chinese medicinal plants. Recently, the QuEChERS concept has spread to environmental applications by analyzing not only pesticides but also other compounds of environmental concern in soil, sediments, and water. To the best of our knowledge, QuEChERS environmental applications have not been reviewed so far; therefore, in this contribution, after a general discussion on the evolution and changes of the original QuEChERS method, a critical survey of the literature regarding environmental applications of conventional and modified QuEChERS methodology is provided. The overall recoveries obtained with QuEChERS and other extraction approaches (e.g., accelerated solvent extraction, ultrasonic solvent extraction, liquid/solid extraction, and soxhlet extraction) were compared, providing evidence for QuEChERS higher recoveries for various classes of compounds, such as biopesticides, chloroalkanes, phenols, and perfluoroalkyl substances. The role of physicochemical properties of soil (i.e., clay and organic carbon content, as well as cation exchange capacity) and target analytes (i.e., log KOW, water solubility, and vapor pressure) were also evaluated in order to interpret recovery and matrix effect data.

  5. Genome complexity, robustness and genetic interactions in digital organisms

    Science.gov (United States)

    Lenski, Richard E.; Ofria, Charles; Collier, Travis C.; Adami, Christoph

    1999-08-01

    Digital organisms are computer programs that self-replicate, mutate and adapt by natural selection. They offer an opportunity to test generalizations about living systems that may extend beyond the organic life that biologists usually study. Here we have generated two classes of digital organism: simple programs selected solely for rapid replication, and complex programs selected to perform mathematical operations that accelerate replication through a set of defined `metabolic' rewards. To examine the differences in their genetic architecture, we introduced millions of single and multiple mutations into each organism and measured the effects on the organism's fitness. The complex organisms are more robust than the simple ones with respect to the average effects of single mutations. Interactions among mutations are common and usually yield higher fitness than predicted from the component mutations assuming multiplicative effects; such interactions are especially important in the complex organisms. Frequent interactions among mutations have also been seen in bacteria, fungi and fruitflies. Our findings support the view that interactions are a general feature of genetic systems.

  6. Quantum Hilbert matrices and orthogonal polynomials

    DEFF Research Database (Denmark)

    Andersen, Jørgen Ellegaard; Berg, Christian

    2009-01-01

    Using the notion of quantum integers associated with a complex number q≠0 , we define the quantum Hilbert matrix and various extensions. They are Hankel matrices corresponding to certain little q -Jacobi polynomials when |q|<1 , and for the special value they are closely related to Hankel matrice...

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

    Directory of Open Access Journals (Sweden)

    Ben D. Beake

    2010-02-01

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

  8. Vaginal Fibroblastic Cells from Women with Pelvic Organ Prolapse Produce Matrices with Increased Stiffness and Collagen Content

    NARCIS (Netherlands)

    Ruiz-Zapata, A.M.Kerkhof, M.H.; Ghazanfari, S.; Zandieh-Doulabi, B.; Stoop, R.; Smit, T.H.; Helder, M.N.

    2016-01-01

    Pelvic organ prolapse (POP) is characterised by the weakening of the pelvic floor support tissues, and often by subsequent prolapse of the bladder outside the body, i.e. cystocele. The bladder is kept in place by the anterior vaginal wall which consists of a dense extracellular matrix rich in

  9. MERSENNE AND HADAMARD MATRICES CALCULATION BY SCARPIS METHOD

    Directory of Open Access Journals (Sweden)

    N. A. Balonin

    2014-05-01

    Full Text Available Purpose. The paper deals with the problem of basic generalizations of Hadamard matrices associated with maximum determinant matrices or not optimal by determinant matrices with orthogonal columns (weighing matrices, Mersenne and Euler matrices, ets.; calculation methods for the quasi-orthogonal local maximum determinant Mersenne matrices are not studied enough sufficiently. The goal of this paper is to develop the theory of Mersenne and Hadamard matrices on the base of generalized Scarpis method research. Methods. Extreme solutions are found in general by minimization of maximum for absolute values of the elements of studied matrices followed by their subsequent classification according to the quantity of levels and their values depending on orders. Less universal but more effective methods are based on structural invariants of quasi-orthogonal matrices (Silvester, Paley, Scarpis methods, ets.. Results. Generalizations of Hadamard and Belevitch matrices as a family of quasi-orthogonal matrices of odd orders are observed; they include, in particular, two-level Mersenne matrices. Definitions of section and layer on the set of generalized matrices are proposed. Calculation algorithms for matrices of adjacent layers and sections by matrices of lower orders are described. Approximation examples of the Belevitch matrix structures up to 22-nd critical order by Mersenne matrix of the third order are given. New formulation of the modified Scarpis method to approximate Hadamard matrices of high orders by lower order Mersenne matrices is proposed. Williamson method is described by example of one modular level matrices approximation by matrices with a small number of levels. Practical relevance. The efficiency of developing direction for the band-pass filters creation is justified. Algorithms for Mersenne matrices design by Scarpis method are used in developing software of the research program complex. Mersenne filters are based on the suboptimal by

  10. Organic complexing agents in low and medium level radioactive waste

    International Nuclear Information System (INIS)

    Allard, B.; Persson, G.

    1985-11-01

    Low and medium level radioactive wastes will contain various organic agents, such as ion exchange resins (mainly in the operational wastes), plastics and cellulose (mainly in the reprocessing wastes and in the decommissioning wastes) and bitumen (mainly in the reprocessing wastes). The degradation of these organics will lead to the formation of complexing agents that possibly could affect the release of radionuclides from an underground repository and the subsequent transport of these nuclides. The solution chemistry of the actinides may be totally dominated by the presence of such organic degradation products within the repository. However, hydrolysis and formation of carbonates (and possibly humates) will most likely dominate solubility and speciation outside the immediate vicinity of the repository. The minor quantities of strong complexing agents (in the reprocessing waste), notably aminopolycarboxylic acids (EDTA, DTPA) and possibly organic phosphates (DBP) could significantly affect speciation and sorption behaviour of primarily the trivalent actinides even outside the repository. (author)

  11. Immanant Conversion on Symmetric Matrices

    Directory of Open Access Journals (Sweden)

    Purificação Coelho M.

    2014-01-01

    Full Text Available Letr Σn(C denote the space of all n χ n symmetric matrices over the complex field C. The main objective of this paper is to prove that the maps Φ : Σn(C -> Σn (C satisfying for any fixed irre- ducible characters X, X' -SC the condition dx(A +aB = dχ·(Φ(Α + αΦ(Β for all matrices A,В ε Σ„(С and all scalars a ε C are automatically linear and bijective. As a corollary of the above result we characterize all such maps Φ acting on ΣИ(С.

  12. Introduction into Hierarchical Matrices

    KAUST Repository

    Litvinenko, Alexander

    2013-12-05

    Hierarchical matrices allow us to reduce computational storage and cost from cubic to almost linear. This technique can be applied for solving PDEs, integral equations, matrix equations and approximation of large covariance and precision matrices.

  13. Introduction into Hierarchical Matrices

    KAUST Repository

    Litvinenko, Alexander

    2013-01-01

    Hierarchical matrices allow us to reduce computational storage and cost from cubic to almost linear. This technique can be applied for solving PDEs, integral equations, matrix equations and approximation of large covariance and precision matrices.

  14. Metal–organic complexation in the marine environment

    Directory of Open Access Journals (Sweden)

    Witter Amy

    2001-09-01

    Full Text Available We discuss the voltammetric methods that are used to assess metal–organic complexation in seawater. These consist of titration methods using anodic stripping voltammetry (ASV and cathodic stripping voltammetry competitive ligand experiments (CSV-CLE. These approaches and a kinetic approach using CSV-CLE give similar information on the amount of excess ligand to metal in a sample and the conditional metal ligand stability constant for the excess ligand bound to the metal. CSV-CLE data using different ligands to measure Fe(III organic complexes are similar. All these methods give conditional stability constants for which the side reaction coefficient for the metal can be corrected but not that for the ligand. Another approach, pseudovoltammetry, provides information on the actual metal–ligand complex(es in a sample by doing ASV experiments where the deposition potential is varied more negatively in order to destroy the metal–ligand complex. This latter approach gives concentration information on each actual ligand bound to the metal as well as the thermodynamic stability constant of each complex in solution when compared to known metal–ligand complexes. In this case the side reaction coefficients for the metal and ligand are corrected. Thus, this method may not give identical information to the titration methods because the excess ligand in the sample may not be identical to some of the actual ligands binding the metal in the sample.

  15. Potential Trace Metal–Organic Complexation in the Atmosphere

    Directory of Open Access Journals (Sweden)

    Hiroshi Okochi

    2002-01-01

    Full Text Available It is possible that metal–organic complexation enhances the uptake of gaseous organic compounds and the solubility of metals in aerosols and atmospheric water. We investigated potential atmospheric organic ligands and the enhanced uptake of hydroxy-, oxo-, and dicarboxylic acids as well as dicarbonyls into atmospheric aqueous aerosol. We examined complexation with transition metals (iron, manganese, nickel, copper, zinc and lead on the basis of available references and our experimental data. Humic-like substances are most likely ligands in the atmosphere, although this is a poorly characterized material. A number of polycarboxylic acids and hydroxy forms (e.g., citric and tartronic acids effectively complex metals such as copper in atmospheric aerosols. The simple equilibrium model calculations show that the effect of the complexation on the gas–aqueous phase partition of gaseous atmospheric ligands is quite small for the ligands with the high physical Henry’s law constants, e.g., dicarboxylic acids represented by oxalic acid, even if they have high affinity with metal ions. The lower Henry’s law constants of the α-dicarbonyls, such as glyoxal and methylglyoxal, mean that the complexation could lead to profound increases in their partition into the aqueous phase. Despite quantum mechanical arguments for copper–glyoxal complexes, experiments showed no evidence of complexation between either hydrated or unhydrated α-dicarbonyls and the cupric ion. By contrast the β-dicarbonyl, malondialdehyde, has properties that would allow it to partition into atmospheric water via the complexation with metal ions under some conditions.

  16. Communication Network Integration and Group Uniformity in a Complex Organization.

    Science.gov (United States)

    Danowski, James A.; Farace, Richard V.

    This paper contains a discussion of the limitations of research on group processes in complex organizations and the manner in which a procedure for network analysis in on-going systems can reduce problems. The research literature on group uniformity processes and on theoretical models of these processes from an information processing perspective…

  17. Complexity: the organizing principle at the interface of biological (dis ...

    Indian Academy of Sciences (India)

    RAMRAY BHAT

    2017-07-05

    Jul 5, 2017 ... opment of complexity theory in the context of biological systems. ... (DST), a mathematical enterprise that deals with the behaviour of ... and application of programming to trace the dynamical .... with the resultant organization being regulated by the ... more regular the pattern, the smaller the program needed.

  18. Structural complexities in the active layers of organic electronics.

    Science.gov (United States)

    Lee, Stephanie S; Loo, Yueh-Lin

    2010-01-01

    The field of organic electronics has progressed rapidly in recent years. However, understanding the direct structure-function relationships between the morphology in electrically active layers and the performance of devices composed of these materials has proven difficult. The morphology of active layers in organic electronics is inherently complex, with heterogeneities existing across multiple length scales, from subnanometer to micron and millimeter range. A major challenge still facing the organic electronics community is understanding how the morphology across all of the length scales in active layers collectively determines the device performance of organic electronics. In this review we highlight experiments that have contributed to the elucidation of structure-function relationships in organic electronics and also point to areas in which knowledge of such relationships is still lacking. Such knowledge will lead to the ability to select active materials on the basis of their inherent properties for the fabrication of devices with prespecified characteristics.

  19. Complex organic molecules in organic-poor massive young stellar objects

    DEFF Research Database (Denmark)

    Fayolle, Edith C.; Öberg, Karin I.; Garrod, Robin T.

    2015-01-01

    to search for complex organic molecules over 8-16 GHz in the 1 mm atmospheric window toward three MYSOs with known ice abundances, but without luminous molecular hot cores. Results. Complex molecules are detected toward all three sources at comparable abundances with respect to CH3OH to classical hot core......Context. Massive young stellar objects (MYSOs) with hot cores are classic sources of complex organic molecules. The origins of these molecules in such sources, as well as the small-and large-scale differentiation between nitrogen-and oxygen-bearing complex species, are poorly understood. Aims. We...... aim to use complex molecule abundances toward a chemically less explored class of MYSOs with weak hot organic emission lines to constrain the impact of hot molecular cores and initial ice conditions on the chemical composition toward MYSOs. Methods. We use the IRAM 30 m and the Submillimeter Array...

  20. Mitofilin complexes: conserved organizers of mitochondrial membrane architecture.

    Science.gov (United States)

    Zerbes, Ralf M; van der Klei, Ida J; Veenhuis, Marten; Pfanner, Nikolaus; van der Laan, Martin; Bohnert, Maria

    2012-11-01

    Mitofilin proteins are crucial organizers of mitochondrial architecture. They are located in the inner mitochondrial membrane and interact with several protein complexes of the outer membrane, thereby generating contact sites between the two membrane systems of mitochondria. Within the inner membrane, mitofilins are part of hetero-oligomeric protein complexes that have been termed the mitochondrial inner membrane organizing system (MINOS). MINOS integrity is required for the maintenance of the characteristic morphology of the inner mitochondrial membrane, with an inner boundary region closely apposed to the outer membrane and cristae membranes, which form large tubular invaginations that protrude into the mitochondrial matrix and harbor the enzyme complexes of the oxidative phosphorylation machinery. MINOS deficiency comes along with a loss of crista junction structures and the detachment of cristae from the inner boundary membrane. MINOS has been conserved in evolution from unicellular eukaryotes to humans, where alterations of MINOS subunits are associated with multiple pathological conditions.

  1. An Ontology for Modeling Complex Inter-relational Organizations

    Science.gov (United States)

    Wautelet, Yves; Neysen, Nicolas; Kolp, Manuel

    This paper presents an ontology for organizational modeling through multiple complementary aspects. The primary goal of the ontology is to dispose of an adequate set of related concepts for studying complex organizations involved in a lot of relationships at the same time. In this paper, we define complex organizations as networked organizations involved in a market eco-system that are playing several roles simultaneously. In such a context, traditional approaches focus on the macro analytic level of transactions; this is supplemented here with a micro analytic study of the actors' rationale. At first, the paper overviews enterprise ontologies literature to position our proposal and exposes its contributions and limitations. The ontology is then brought to an advanced level of formalization: a meta-model in the form of a UML class diagram allows to overview the ontology concepts and their relationships which are formally defined. Finally, the paper presents the case study on which the ontology has been validated.

  2. Measuring the Complexity of Self-Organizing Traffic Lights

    Directory of Open Access Journals (Sweden)

    Darío Zubillaga

    2014-04-01

    Full Text Available We apply measures of complexity, emergence, and self-organization to an urban traffic model for comparing a traditional traffic-light coordination method with a self-organizing method in two scenarios: cyclic boundaries and non-orientable boundaries. We show that the measures are useful to identify and characterize different dynamical phases. It becomes clear that different operation regimes are required for different traffic demands. Thus, not only is traffic a non-stationary problem, requiring controllers to adapt constantly; controllers must also change drastically the complexity of their behavior depending on the demand. Based on our measures and extending Ashby’s law of requisite variety, we can say that the self-organizing method achieves an adaptability level comparable to that of a living system.

  3. Full evaporation headspace gas chromatography for sensitive determination of high boiling point volatile organic compounds in low boiling matrices.

    Science.gov (United States)

    Mana Kialengila, Didi; Wolfs, Kris; Bugalama, John; Van Schepdael, Ann; Adams, Erwin

    2013-11-08

    Determination of volatile organic components (VOC's) is often done by static headspace gas chromatography as this technique is very robust and combines easy sample preparation with good selectivity and low detection limits. This technique is used nowadays in different applications which have in common that they have a dirty matrix which would be problematic in direct injection approaches. Headspace by nature favors the most volatile compounds, avoiding the less volatile to reach the injector and column. As a consequence, determination of a high boiling solvent in a lower boiling matrix becomes challenging. Determination of VOCs like: xylenes, cumene, N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), N,N-dimethylacetamide (DMA), N-methyl-2-pyrrolidone (NMP), 1,3-dimethyl-2-imidazolidinone (DMI), benzyl alcohol (BA) and anisole in water or water soluble products are an interesting example of the arising problems. In this work, a headspace variant called full evaporation technique is worked out and validated for the mentioned solvents. Detection limits below 0.1 μg/vial are reached with RSD values below 10%. Mean recovery values ranged from 92.5 to 110%. The optimized method was applied to determine residual DMSO in a water based cell culture and DMSO and DMA in tetracycline hydrochloride (a water soluble sample). Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Microanalysis of Organic Pigments in Ancient Textiles by Surface-Enhanced Raman Scattering on Agar Gel Matrices

    Directory of Open Access Journals (Sweden)

    Marilena Ricci

    2016-01-01

    Full Text Available We review some new methods based on surface-enhanced Raman scattering (SERS for the nondestructive/minimally invasive identification of organic colorants in objects whose value or function precludes sampling, such as historic and archeological textiles, paintings, and drawing. We discuss in detail the methodology we developed for the selective extraction and identification of anthraquinones and indigoids in the typical concentration used in textiles by means of an ecocompatible homogeneous nanostructured agar matrix. The extraction system was modulated according to the chemical properties of the target analyte by choosing appropriate reagents for the extraction and optimizing the extraction time. The system has been found to be extremely stable, easy to use and produce, easy to store, and at the same time able to be analyzed even after long time intervals, maintaining its enhancement properties unaltered, without the detriment of the extracted compound. Highly structured SERS band intensities have been obtained from the extracted dyes adopting laser light excitations at 514.5 and 785 nm of a micro-Raman setup. This analytical method has been found to be extremely safe for the analyzed substrates, thus being a promising procedure for the selective analysis and detection of molecules at low concentration in the field of artworks conservation.

  5. Multi-layer solid-phase extraction and evaporation-enrichment methods for polar organic chemicals from aqueous matrices.

    Science.gov (United States)

    Köke, Niklas; Zahn, Daniel; Knepper, Thomas P; Frömel, Tobias

    2018-03-01

    Analysis of polar organic chemicals in the aquatic environment is exacerbated by the lack of suitable and widely applicable enrichment methods. In this work, we assessed the suitability of a novel combination of well-known solid-phase extraction (SPE) materials in one cartridge as well as an evaporation method and for the enrichment of 26 polar model substances (predominantly log D evaporation method were investigated for the recovery and matrix effects of the model substances and analyzed with hydrophilic interaction liquid chromatography-tandem mass spectrometry (HILIC-MS/MS). In total, 65% of the model substances were amenable (> 10% recovery) to the mlSPE method with a mean recovery of 76% while 73% of the model substances were enriched with the evaporation method achieving a mean recovery of 78%. Target and non-target screening comparison of both methods with a frequently used reversed-phase SPE method utilizing "hydrophilic and lipophilic balanced" (HLB) material was performed. Target analysis showed that the mlSPE and evaporation method have pronounced advantages over the HLB method since the HLB material retained only 30% of the model substances. Non-target screening of a ground water sample with the investigated enrichment methods showed that the median retention time of all detected features on a HILIC system decreased in the order mlSPE (3641 features, median t R 9.7 min), evaporation (1391, 9.3 min), HLB (4414, 7.2 min), indicating a higher potential of the described methods to enrich polar analytes from water compared with HLB-SPE. Graphical abstract Schematic of the method evaluation (recovery and matrix effects) and method comparison (target and non-target analysis) of the two investigated enrichment methods for very polar chemicals in aqueousmatrices.

  6. Evidence for organic complexed copper in sea water

    Energy Technology Data Exchange (ETDEWEB)

    Slowey, J F; Jeffrey, L M; Hood, D W

    1967-04-22

    A few attempts have been made to characterize the chemical components contributing to the copper content of seawater. About 0.3 mu/liter of particulate copper in 2 stations in the English Channel and 15 mu/liter of ultrafilterable (10 mu) but non-dialyzable copper in a sample from Texas Bay has been reported. Also the evidence has been shown for copper in the organic form in waters of the Florida Current. The occasional presence of non- dialyzable copper for many samples from the Gulf of Mexico suggests that strongly complexed copper-organic compounds are present in seawater. This communication presents evidence for such complexes that are extractable into a nonpolar solvent in the absence of any added chelating agent. Preliminary results have shown that the copper- organic complex isolated by chloroform extraction occurs in the eighth fraction of the Hirsch and Ahrens lipid separation method using silica gel chromatography. This would indicate that copper complex is associated with the phospholipid, amino lipid, or porphyrin fraction of the lipids.

  7. Nuclear organization of the rock hyrax (Procavia capensis) amygdaloid complex.

    Science.gov (United States)

    Limacher-Burrell, Aude-Marie; Bhagwandin, Adhil; Gravett, Nadine; Maseko, Busisiwe C; Manger, Paul R

    2016-07-01

    The current study details the nuclear organization of the rock hyrax amygdaloid complex using both Nissl and myelin stains, along with a range of immunohistochemical stains. The rock hyrax appears to be the least derived of the Afrotherians, a group with a huge range of body phenotypes, life histories and specialized behaviours, brain sizes, and ecological niches. In this sense, the rock hyrax represents a species where the organization of the amygdaloid complex may be reflective of that in stem Eutherian mammals. Our analysis indicates that the nuclear organization of the rock hyrax amygdaloid complex is indeed very similar to that in other mammals studied, with four major nuclear groupings (the deep or basolateral group; the superficial or cortical-like or corticomedial group; the centromedial group; and the other amygdaloid nuclei) being observed, which is typical of Eutherian mammals. Moreover, each of these groupings is composed of several nuclei, the vast majority of which were readily identified in the rock hyrax. Small nuclei identified in rodents and primates were absent in the superficial and centromedial groups, seemingly involved with olfaction. A novel shell-like nucleus of the accessory basal nuclear cluster was observed in the rock hyrax, again, likely to be involved in olfaction. The current study underlines the conserved nature of nuclear parcellation in the Eutherian mammal amygdaloid complex and indicates that across most species, the flow of information processing related to species-specific affective-laden stimuli and the resultant physiological and behavioural outcomes are likely to be similar across species.

  8. Technetium Chemistry in HLW: Role of Organic Complexants

    International Nuclear Information System (INIS)

    Hess, Nancy J.; Blanchard, David L. Jr.; Campbell, James A.; Cho, Herman M.; Rai, Dhanpat Rai; Xia, Yuanxian; Conradson, Steven D.

    2002-01-01

    Technetium complexation with organic compounds in tank waste plays a significant role in the redox chemistry of Tc and the partitioning of Tc between the supernatant and sludge components in waste tanks. These processes need to be understood so that strategies to effectively remove Tc from high-level nuclear waste prior to waste immobilization can be developed and so that longterm consequences of Tc remaining in residual waste after sludge removal can be evaluated. Only limited data on the stability of Tc-organic complexes exists, and even less thermodynamic data on which to develop predictive models of Tc chemical behavior is available. To meet these challenges, we present a research program to study Tc-speciation in actual tank waste using state-of-the-art analytical organic chemistry, separations, and speciation techniques. On the basis of such studies, we will acquire thermodynamic data for the identified Tc-organic complexes over a wide range of chemical conditions in order to develop credible models to predict Tc speciation in tank waste and Tc behavior during waste pretreatment processing and in waste tank residuals

  9. Tc Chemistry in HLW: Role of Organic Complexants

    International Nuclear Information System (INIS)

    Hess, Nancy S.; Conradsen, Steven D.

    2003-01-01

    Tc complexation with organic compounds in tank waste plays a significant role in the redox chemistry of Tc and the partitioning of Tc between the supernatant and sludge components in waste tanks. These processes need to be understood so that strategies to effectively remove Tc from high-level nuclear waste prior to waste immobilization can be developed and so that long-term consequences of Tc remaining in residual waste after sludge removal can be evaluated. Only limited data on the stability of Tc-organic complexes exists and even less thermodynamic data on which to develop predictive models of Tc chemical behavior is available. To meet these challenges we are conducting a research program to study to develop thermodynamic data on Tc-organic complexation over a wide range of chemical conditions. We will attempt to characterize Tc-speciation in actual tank waste using state-of-the-art analytical organic chemistry, separations, and speciation techniques to validate our model. On the basis of such studies we will develop credible model of Tc chemistry in HLW that will allow prediction of Tc speciation in tank waste and Tc behavior during waste pretreatment processing and in waste tank residuals

  10. Complexity in plasma: From self-organization to geodynamo

    International Nuclear Information System (INIS)

    Sato, T.

    1996-01-01

    A central theme of open-quote open-quote Complexity close-quote close-quote is the question of the creation of ordered structure in nature (self-organization). The assertion is made that self-organization is governed by three key processes, i.e., energy pumping, entropy expulsion and nonlinearity. Extensive efforts have been done to confirm this assertion through computer simulations of plasmas. A system exhibits markedly different features in self-organization, depending on whether the energy pumping is instantaneous or continuous, or whether the produced entropy is expulsed or reserved. The nonlinearity acts to bring a nonequilibrium state into a bifurcation, thus resulting in a new structure along with an anomalous entropy production. As a practical application of our grand view of self-organization a preferential generation of a dipole magnetic field is successfully demonstrated. copyright 1996 American Institute of Physics

  11. Community Detection for Correlation Matrices

    Directory of Open Access Journals (Sweden)

    Mel MacMahon

    2015-04-01

    Full Text Available A challenging problem in the study of complex systems is that of resolving, without prior information, the emergent, mesoscopic organization determined by groups of units whose dynamical activity is more strongly correlated internally than with the rest of the system. The existing techniques to filter correlations are not explicitly oriented towards identifying such modules and can suffer from an unavoidable information loss. A promising alternative is that of employing community detection techniques developed in network theory. Unfortunately, this approach has focused predominantly on replacing network data with correlation matrices, a procedure that we show to be intrinsically biased because of its inconsistency with the null hypotheses underlying the existing algorithms. Here, we introduce, via a consistent redefinition of null models based on random matrix theory, the appropriate correlation-based counterparts of the most popular community detection techniques. Our methods can filter out both unit-specific noise and system-wide dependencies, and the resulting communities are internally correlated and mutually anticorrelated. We also implement multiresolution and multifrequency approaches revealing hierarchically nested subcommunities with “hard” cores and “soft” peripheries. We apply our techniques to several financial time series and identify mesoscopic groups of stocks which are irreducible to a standard, sectorial taxonomy; detect “soft stocks” that alternate between communities; and discuss implications for portfolio optimization and risk management.

  12. Community Detection for Correlation Matrices

    Science.gov (United States)

    MacMahon, Mel; Garlaschelli, Diego

    2015-04-01

    A challenging problem in the study of complex systems is that of resolving, without prior information, the emergent, mesoscopic organization determined by groups of units whose dynamical activity is more strongly correlated internally than with the rest of the system. The existing techniques to filter correlations are not explicitly oriented towards identifying such modules and can suffer from an unavoidable information loss. A promising alternative is that of employing community detection techniques developed in network theory. Unfortunately, this approach has focused predominantly on replacing network data with correlation matrices, a procedure that we show to be intrinsically biased because of its inconsistency with the null hypotheses underlying the existing algorithms. Here, we introduce, via a consistent redefinition of null models based on random matrix theory, the appropriate correlation-based counterparts of the most popular community detection techniques. Our methods can filter out both unit-specific noise and system-wide dependencies, and the resulting communities are internally correlated and mutually anticorrelated. We also implement multiresolution and multifrequency approaches revealing hierarchically nested subcommunities with "hard" cores and "soft" peripheries. We apply our techniques to several financial time series and identify mesoscopic groups of stocks which are irreducible to a standard, sectorial taxonomy; detect "soft stocks" that alternate between communities; and discuss implications for portfolio optimization and risk management.

  13. The complex use of religion in decisions on organ transplantation.

    Science.gov (United States)

    Röcklinsberg, Helena

    2009-03-01

    Because of its existential character, organ transplantation is strongly connected to a person's view of life. This article describes how participants in a focus group use religious elements in decision-making on transplantation medicine in four European countries. Further these findings are related to two influential theologians: James Gustafson and Paul Ramsey, and their thinking on the role of religion in medical ethics. Both participants' and theologians' use of religious elements is complex, and show significant variety in regard to both content and form. Decisions in transplantation medicine would benefit from considering the complexity of religious views when striving for informed consent as participative involvement.

  14. Emergence of complex chemistry on an organic monolayer.

    Science.gov (United States)

    Prins, Leonard J

    2015-07-21

    In many origin-of-life scenarios, inorganic materials, such as FeS or mineral clays, play an important role owing to their ability to concentrate and select small organic molecules on their surface and facilitate their chemical transformations into new molecules. However, considering that life is made up of organic matter, at a certain stage during the evolution the role of the inorganic material must have been taken over by organic molecules. How this exactly happened is unclear, and, indeed, a big gap separates the rudimentary level of organization involving inorganic materials and the complex organization of cells, which are the building blocks of life. Over the past years, we have extensively studied the interaction of small molecules with monolayer-protected gold nanoparticles (Au NPs) for the purpose of developing innovative sensing and catalytic systems. During the course of these studies, we realized that the functional role of this system is very similar to that typically attributed to inorganic surfaces in the early stages of life, with the important being difference that the functional properties (molecular recognition, catalysis, signaling, adaptation) originate entirely from the organic monolayer rather than the inorganic support. This led us to the proposition that this system may serve as a model that illustrates how the important role of inorganic surfaces in dictating chemical processes in the early stages of life may have been taken over by organic matter. Here, we reframe our previously obtained results in the context of the origin-of-life question. The following functional roles of Au NPs will be discussed: the ability to concentrate small molecules and create different local populations, the ability to catalyze the chemical transformation of bound molecules, and, finally, the ability to install rudimentary signaling pathways and display primitive adaptive behavior. In particular, we will show that many of the functional properties of the system

  15. Complexity in plasma. A grand view of self-organization

    International Nuclear Information System (INIS)

    Sato, Tetsuya.

    1994-11-01

    The central theme of the Complexity is the inquest of the creation of ordered structure in nature. Extensive computer simulations on plasmas have revealed that self-organization is governed by the three key processes, i.e. energy pumping, entropy expulsion and nonlinearity. A system exhibits characteristically different self-organization, depending on whether the energy pumping is instantaneous or continuous, or whether the produced entropy is expulsed or reserved. The nonlinearity acts to bring a nonequilibrium state into a bifurcation, thus resulting in a new structure along with an anomalous entropy production. (author)

  16. Supercritical fluid extraction behaviour of polymer matrices

    International Nuclear Information System (INIS)

    Sujatha, K.; Kumar, R.; Sivaraman, N.; Srinivasan, T.G.; Vasudeva Rao, P.R.

    2007-01-01

    Organic compounds present in polymeric matrices such as neoprene, surgical gloves and PVC were co-extracted during the removal of uranium using supercritical fluid extraction (SFE) technique. Hence SFE studies of these matrices were carried out to establish the extracted species using HPLC, IR and mass spectrometry techniques. The initial study indicated that uranium present in the extract could be purified from the co-extracted organic species. (author)

  17. Matrices and linear transformations

    CERN Document Server

    Cullen, Charles G

    1990-01-01

    ""Comprehensive . . . an excellent introduction to the subject."" - Electronic Engineer's Design Magazine.This introductory textbook, aimed at sophomore- and junior-level undergraduates in mathematics, engineering, and the physical sciences, offers a smooth, in-depth treatment of linear algebra and matrix theory. The major objects of study are matrices over an arbitrary field. Contents include Matrices and Linear Systems; Vector Spaces; Determinants; Linear Transformations; Similarity: Part I and Part II; Polynomials and Polynomial Matrices; Matrix Analysis; and Numerical Methods. The first

  18. Use of Iron (II Salts and Complexes for the Production of Soil Amendments from Organic Solid Wastes

    Directory of Open Access Journals (Sweden)

    Amerigo Beneduci

    2012-01-01

    Full Text Available A method to obtain rapidly stabilized composts for crops from solid organic wastes is evaluated. Here we used a laboratory scale reaction chamber where solid waste treatment was performed under strictly controlled temperature and pressure conditions. The row organic waste was mixed with acid solutions containing iron (II ions either in the fully hydrated form or in the form of complexes with the diethylentriaminopentaacetic acid. Data from elemental analysis distribution and GC/MS analysis of the polar and non polar dissolved organic matter, clearly showed that Fe(II ions significantly enhance organic substrate oxidation of the initial solid waste, compared to a material obtained without the addition of the Fe(II ions to the raw organic matrix. These results suggest that Fe(II ions might be involved in a catalytic oxidation pathway that would be activated under the experimental conditions used. The extent of the oxidation process was evaluated by the value of the C/N ratio and, qualitatively, by the molecular composition of the dissolved organic matter. After about 6 hours of incubation, dark-brown and dry organic matrices were obtained with C/N ratio as low as 12 and a high degree of oxidative decomposition into low-molecular-weight compounds at high oxidation state.

  19. Self-organized topology of recurrence-based complex networks

    International Nuclear Information System (INIS)

    Yang, Hui; Liu, Gang

    2013-01-01

    With the rapid technological advancement, network is almost everywhere in our daily life. Network theory leads to a new way to investigate the dynamics of complex systems. As a result, many methods are proposed to construct a network from nonlinear time series, including the partition of state space, visibility graph, nearest neighbors, and recurrence approaches. However, most previous works focus on deriving the adjacency matrix to represent the complex network and extract new network-theoretic measures. Although the adjacency matrix provides connectivity information of nodes and edges, the network geometry can take variable forms. The research objective of this article is to develop a self-organizing approach to derive the steady geometric structure of a network from the adjacency matrix. We simulate the recurrence network as a physical system by treating the edges as springs and the nodes as electrically charged particles. Then, force-directed algorithms are developed to automatically organize the network geometry by minimizing the system energy. Further, a set of experiments were designed to investigate important factors (i.e., dynamical systems, network construction methods, force-model parameter, nonhomogeneous distribution) affecting this self-organizing process. Interestingly, experimental results show that the self-organized geometry recovers the attractor of a dynamical system that produced the adjacency matrix. This research addresses a question, i.e., “what is the self-organizing geometry of a recurrence network?” and provides a new way to reproduce the attractor or time series from the recurrence plot. As a result, novel network-theoretic measures (e.g., average path length and proximity ratio) can be achieved based on actual node-to-node distances in the self-organized network topology. The paper brings the physical models into the recurrence analysis and discloses the spatial geometry of recurrence networks

  20. An efficient link prediction index for complex military organization

    Science.gov (United States)

    Fan, Changjun; Liu, Zhong; Lu, Xin; Xiu, Baoxin; Chen, Qing

    2017-03-01

    Quality of information is crucial for decision-makers to judge the battlefield situations and design the best operation plans, however, real intelligence data are often incomplete and noisy, where missing links prediction methods and spurious links identification algorithms can be applied, if modeling the complex military organization as the complex network where nodes represent functional units and edges denote communication links. Traditional link prediction methods usually work well on homogeneous networks, but few for the heterogeneous ones. And the military network is a typical heterogeneous network, where there are different types of nodes and edges. In this paper, we proposed a combined link prediction index considering both the nodes' types effects and nodes' structural similarities, and demonstrated that it is remarkably superior to all the 25 existing similarity-based methods both in predicting missing links and identifying spurious links in a real military network data; we also investigated the algorithms' robustness under noisy environment, and found the mistaken information is more misleading than incomplete information in military areas, which is different from that in recommendation systems, and our method maintained the best performance under the condition of small noise. Since the real military network intelligence must be carefully checked at first due to its significance, and link prediction methods are just adopted to purify the network with the left latent noise, the method proposed here is applicable in real situations. In the end, as the FINC-E model, here used to describe the complex military organizations, is also suitable to many other social organizations, such as criminal networks, business organizations, etc., thus our method has its prospects in these areas for many tasks, like detecting the underground relationships between terrorists, predicting the potential business markets for decision-makers, and so on.

  1. Phosphorescent Organic Light Emitting Diodes Implementing Platinum Complexes

    Science.gov (United States)

    Ecton, Jeremy Exton

    Organic light emitting diodes (OLEDs) are a promising approach for display and solid state lighting applications. However, further work is needed in establishing the availability of efficient and stable materials for OLEDs with high external quantum efficiency's (EQE) and high operational lifetimes. Recently, significant improvements in the internal quantum efficiency or ratio of generated photons to injected electrons have been achieved with the advent of phosphorescent complexes with the ability to harvest both singlet and triplet excitons. Since then, a variety of phosphorescent complexes containing heavy metal centers including Os, Ni, Ir, Pd, and Pt have been developed. Thus far, the majority of the work in the field has focused on iridium based complexes. Platinum based complexes, however, have received considerably less attention despite demonstrating efficiency's equal to or better than their iridium analogs. In this study, a series of OLEDs implementing newly developed platinum based complexes were demonstrated with efficiency's or operational lifetimes equal to or better than their iridium analogs for select cases. In addition to demonstrating excellent device performance in OLEDs, platinum based complexes exhibit unique photophysical properties including the ability to form excimer emission capable of generating broad white light emission from a single emitter and the ability to form narrow band emission from a rigid, tetradentate molecular structure for select cases. These unique photophysical properties were exploited and their optical and electrical properties in a device setting were elucidated. Utilizing the unique properties of a tridentate Pt complex, Pt-16, a highly efficient white device employing a single emissive layer exhibited a peak EQE of over 20% and high color quality with a CRI of 80 and color coordinates CIE(x=0.33, y=0.33). Furthermore, by employing a rigid, tetradentate platinum complex, PtN1N, with a narrow band emission into a

  2. Persistence of urban organic aerosols composition: Decoding their structural complexity and seasonal variability.

    Science.gov (United States)

    Matos, João T V; Duarte, Regina M B O; Lopes, Sónia P; Silva, Artur M S; Duarte, Armando C

    2017-12-01

    Organic Aerosols (OAs) are typically defined as highly complex matrices whose composition changes in time and space. Focusing on time vector, this work uses two-dimensional nuclear magnetic resonance (2D NMR) techniques to examine the structural features of water-soluble (WSOM) and alkaline-soluble organic matter (ASOM) sequentially extracted from fine atmospheric aerosols collected in an urban setting during cold and warm seasons. This study reveals molecular signatures not previously decoded in NMR-related studies of OAs as meaningful source markers. Although the ASOM is less hydrophilic and structurally diverse than its WSOM counterpart, both fractions feature a core with heteroatom-rich branched aliphatics from both primary (natural and anthropogenic) and secondary origin, aromatic secondary organics originated from anthropogenic aromatic precursors, as well as primary saccharides and amino sugar derivatives from biogenic emissions. These common structures represent those 2D NMR spectral signatures that are present in both seasons and can thus be seen as an "annual background" profile of the structural composition of OAs at the urban location. Lignin-derived structures, nitroaromatics, disaccharides, and anhydrosaccharides signatures were also identified in the WSOM samples only from periods identified as smoke impacted, which reflects the influence of biomass-burning sources. The NMR dataset on the H-C molecules backbone was also used to propose a semi-quantitative structural model of urban WSOM, which will aid efforts for more realistic studies relating the chemical properties of OAs with their atmospheric behavior. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Organic analyses of an actual and simulated mixed waste. Hanford's organic complexant waste revisited

    International Nuclear Information System (INIS)

    Toste, A.P.; Osborn, B.C.; Polach, K.J.; Lechner-Fish, T.J.

    1995-01-01

    Reanalysis of the organics in a mixed waste, an organic complexant waste, from the U.S. Department of Energy's Hanford Site, has yielded an 80.4% accounting of the waste's total organic content. In addition to several complexing and chelating agents (citrate, EDTA, HEDTA and NTA), 38 chelator/complexor fragments have been identified, compared to only 11 in the original analysis, all presumably formed via organic degradation. Moreover, a mis identification, methanetricarboxylic acid, has been re-identified as the chelator fragment N-(methylamine)imino-diacetic acid (MAIDA). A nonradioactive simulant of the actual waste, containing the parent organics (citrate, EDTA, HEDTA and NTA), was formulated and stored in the dark at ambient temperature for 90 days. Twenty chelator and complexor fragments were identified in the simulant, along with several carboxylic acids, confirming that myriad chelator and complexor fragments are formed via degradation of the parent organics. Moreover, their abundance in the simulant (60.9% of the organics identified) argues that the harsh chemistries of mixed wastes like Hanford's organic degradation, even in the absence of radiation. (author). 26 refs., 2 tabs

  4. Geomorphology and landscape organization of a northern peatland complex

    Science.gov (United States)

    Richardson, M. C.

    2012-12-01

    The geomorphic evolution of northern peatlands is governed by complex ecohydrological feedback mechanisms and associated hydro-climatic drivers. For example, prevailing models of bog development (i.e. Ingram's groundwater mounding hypothesis and variants) attempt to explicitly link bog dome characteristics to the regional climate based on analytical and numerical models of lateral groundwater flow and the first-order control of water table position on rates of peat accumulation. In this talk I will present new results from quantitative geomorphic analyses of a northern peatland complex at the De Beers Victor diamond mine site in the Hudson Bay Lowlands of northern Ontario. This work capitalizes on spatially-extensive, high-resolution topographic (LiDAR) data to rigorously test analytical and numerical models of bog dome development in this landscape. The analysis and discussion are then expanded beyond individual bog formations to more broadly consider ecohydrological drivers of landscape organization, with implications for understanding and modeling catchment-scale runoff response. Results show that in this landscape, drainage patterns exhibit relatively well-organized characteristics consistent with observed runoff responses in six gauged research catchments. Interpreted together, the results of these geomorphic and hydrologic analyses help refine our understanding of water balance partitioning among different landcover types within northern peatland complexes. These findings can be used to help guide the development of appropriate numerical model structures for hydrologic prediction in ungauged peatland basins of northern Canada.

  5. Stability of engineered nanomaterials in complex aqueous matrices: Settling behaviour of CeO{sub 2} nanoparticles in natural surface waters

    Energy Technology Data Exchange (ETDEWEB)

    Van Koetsem, Frederik, E-mail: Frederik.VanKoetsem@UGent.be [Laboratory of Analytical Chemistry and Applied Ecochemistry, Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent (Belgium); Verstraete, Simon [Laboratory of Analytical Chemistry and Applied Ecochemistry, Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent (Belgium); Van der Meeren, Paul [Particle and Interfacial Technology Group, Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent (Belgium); Du Laing, Gijs, E-mail: Gijs.DuLaing@UGent.be [Laboratory of Analytical Chemistry and Applied Ecochemistry, Department of Applied Analytical and Physical Chemistry, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent (Belgium)

    2015-10-15

    The stability of engineered nanoparticles (ENPs) in complex aqueous matrices is a key determinant of their fate and potential toxicity towards the aquatic environment and human health. Metal oxide nanoparticles, such as CeO{sub 2} ENPs, are increasingly being incorporated into a wide range of industrial and commercial applications, which will undoubtedly result in their (unintentional) release into the environment. Hereby, the behaviour and fate of CeO{sub 2} ENPs could potentially serve as model for other nanoparticles that possess similar characteristics. The present study examined the stability and settling of CeO{sub 2} ENPs (7.3±1.4 nm) as well as Ce{sup 3+} ions in 10 distinct natural surface waters during 7 d, under stagnant and isothermal experimental conditions. Natural water samples were collected throughout Flanders (Belgium) and were thoroughly characterized. For the majority of the surface waters, a substantial depletion (>95%) of the initially added CeO{sub 2} ENPs was observed just below the liquid surface of the water samples after 7 d. In all cases, the reduction was considerably higher for CeO{sub 2} ENPs than for Ce{sup 3+} ions (<68%). A first-order kinetics model was able to describe the observed time-dependant removal of both CeO{sub 2} ENPs (R{sup 2}≥0.998) and Ce{sup 3+} ions (R{sup 2}≥0.812) from the water column, at least in case notable sedimentation occurred over time. Solution-pH appeared to be a prime parameter governing nanoparticle colloidal stability. Moreover, the suspended solids (TSS) content also seemed to be an important factor affecting the settling rate and residual fraction of CeO{sub 2} ENPs as well as Ce{sup 3+} ions in natural surface waters. Correlation results also suggest potential association and co-precipitation of CeO{sub 2} ENPs with aluminium- and iron-containing natural colloidal material. The CeO{sub 2} ENPs remained stable in dispersion in surface water characterized by a low pH, ionic strength (IS), and

  6. Mercury reduction and complexation by natural organic matter

    International Nuclear Information System (INIS)

    Gu, Baohua; Bian, Yongrong; Miller, Carrie L.; Dong, Wenming; Jiang, Xin; Liang, Liyuan

    2011-01-01

    Mercuric Hg(II) species form complexes with natural dissolved organic matter (DOM) such as humic acid (HA), and this binding is known to affect the chemical and biological transformation and cycling of mercury in aquatic environments. Dissolved elemental mercury, Hg(0), is also widely observed in sediments and water. However, reactions between Hg(0) and DOM have rarely been studied in anoxic environments. Here, under anoxic dark conditions we show strong interactions between reduced HA and Hg(0) through thiol-ligand induced oxidative complexation with an estimated binding capacity of about 3.5 umol Hg(0)/g HA and a partitioning coefficient greater than 10 6 mL/g. We further demonstrate that Hg(II) can be effectively reduced to Hg(0) in the presence of as little as 0.2 mg/L reduced HA, whereas production of purgeable Hg(0) is inhibited by complexation as HA concentration increases. This dual role played by DOM in the reduction and complexation of mercury is likely widespread in anoxic sediments and water and can be expected to significantly influence the mercury species transformations and biological uptake that leads to the formation of toxic methylmercury.

  7. Predicting Complex Organic Molecule Emission from TW Hya

    Science.gov (United States)

    Vissapragada, Shreyas; Walsh, Catherine

    2017-01-01

    The Atacama Large Millimeter/submillimeter Array (ALMA) has significantly increased our ability to observe the rich chemical inventory of star and planet formation. ALMA has recently been used to detect CH3OH (methanol) and CH3CN (methyl cyanide) in protoplanetary disks; these molecules may be vital indicators of the complex organic ice reservoir in the comet-forming zone. We have constructed a physiochemical model of TW Hya, a well-studied protoplanetary disk, to explore the different formation mechanisms of complex ices. By running our model through a radiative transfer code and convolving with beam sizes appropriate for ALMA, we have obtained synthetic observations of methanol and methyl cyanide. Here, we compare and comment on these synthetic observations, and provide astrochemical justification for their spatial distributions.

  8. A divergent heritage for complex organics in Isheyevo lithic clasts

    DEFF Research Database (Denmark)

    van Kooten, Elishevah M.M.E.; Nagashima, Kazuhide; Kasama, Takeshi

    2017-01-01

    enrichments in 15N believed to be of outer Solar System origin. Using transmission electron microscopy (TEM-EELS) and in situ isotope analyses (SIMS and NanoSIMS), we report on the structure of the organic matter as well as the bulk H and N isotope composition of Isheyevo lithic clasts. These data......, we speculate on the accretion regions of the various primitive chondrites and components and the origin of the Solar System’s N and H isotope variability.......Primitive meteorites are samples of asteroidal bodies that contain a high proportion of chemically complex organic matter (COM) including prebiotic molecules such as amino acids, which are thought to have been delivered to Earth via impacts during the early history of the Solar System. Thus...

  9. Compliance and High Reliability in a Complex Healthcare Organization.

    Science.gov (United States)

    Simon, Maxine dellaBadia

    2018-01-01

    When considering the impact of regulation on healthcare, visualize a spider's web. The spider weaves sections together to create the whole, with each fiber adding to the structure to support its success or lead to its failure. Each section is dependent on the others, and all must be aligned to maintain the structure. Outside forces can cause a shift in the web's fragile equilibrium.The interdependence of the sections of the spider's web is similar to the way hospital departments and services work together. An organization's structure must be shaped to support its mission and vision. At the same time, the business of healthcare requires the development and achievement of operational objectives and financial performance goals. Establishing a culture that is flexible enough to permit creativity, provide resiliency, and manage complexity as the organization grows is fundamental to success. An organization must address each of these factors while maintaining stability, carrying out its mission, and fostering improvement.Nature's order maintains the spider's web. Likewise, regulation can strengthen healthcare organizations by initiating disruptive changes that can support efforts to achieve and sustain high reliability in the delivery of care. To that end, leadership must be willing to provide the necessary vision and resources.

  10. Investigation into organic boron compounds complexing. 25. Triaryl borane complexes with benzimidazole

    Energy Technology Data Exchange (ETDEWEB)

    Belonovich, M I; Lapkin, I I; Morozova, T L; Okatysheva, L Yu; Rybakova, M N; Yuzhakova, G A [Permskij Gosudarstvennyj Univ. (USSR)

    1984-02-01

    Coordination of organic boron compounds with heterocyclic ligands is studied. Substances containing one molecule of ligand per one molecule of triarylborane are extracted when mixing ether solution of triarylborane and alcohol solution of benzimidazole. Based on IR spectra it is stated that coordination with boron is realized at the expense of pyridine nitrogen atom of imidazole cycle. Dipole momenta are determined for synthesized complexes using Debye method.

  11. Selfish cellular networks and the evolution of complex organisms.

    Science.gov (United States)

    Kourilsky, Philippe

    2012-03-01

    Human gametogenesis takes years and involves many cellular divisions, particularly in males. Consequently, gametogenesis provides the opportunity to acquire multiple de novo mutations. A significant portion of these is likely to impact the cellular networks linking genes, proteins, RNA and metabolites, which constitute the functional units of cells. A wealth of literature shows that these individual cellular networks are complex, robust and evolvable. To some extent, they are able to monitor their own performance, and display sufficient autonomy to be termed "selfish". Their robustness is linked to quality control mechanisms which are embedded in and act upon the individual networks, thereby providing a basis for selection during gametogenesis. These selective processes are equally likely to affect cellular functions that are not gamete-specific, and the evolution of the most complex organisms, including man, is therefore likely to occur via two pathways: essential housekeeping functions would be regulated and evolve during gametogenesis within the parents before being transmitted to their progeny, while classical selection would operate on other traits of the organisms that shape their fitness with respect to the environment. Copyright © 2012 Académie des sciences. Published by Elsevier SAS. All rights reserved.

  12. A divergent heritage for complex organics in Isheyevo lithic clasts

    Science.gov (United States)

    van Kooten, Elishevah M. M. E.; Nagashima, Kazuhide; Kasama, Takeshi; Wampfler, Susanne F.; Ramsey, Jon P.; Frimann, Søren; Balogh, Zoltan I.; Schiller, Martin; Wielandt, Daniel P.; Franchi, Ian A.; Jørgensen, Jes K.; Krot, Alexander N.; Bizzarro, Martin

    2017-05-01

    Primitive meteorites are samples of asteroidal bodies that contain a high proportion of chemically complex organic matter (COM) including prebiotic molecules such as amino acids, which are thought to have been delivered to Earth via impacts during the early history of the Solar System. Thus, understanding the origin of COM, including their formation pathway(s) and environment(s), is critical to elucidate the origin of life on Earth as well as assessing the potential habitability of exoplanetary systems. The Isheyevo CH/CBb carbonaceous chondrite contains chondritic lithic clasts with variable enrichments in 15N believed to be of outer Solar System origin. Using transmission electron microscopy (TEM-EELS) and in situ isotope analyses (SIMS and NanoSIMS), we report on the structure of the organic matter as well as the bulk H and N isotope composition of Isheyevo lithic clasts. These data are complemented by electron microprobe analyses of the clast mineral chemistry and bulk Mg and Cr isotopes obtained by inductively coupled plasma and thermal ionization mass spectrometry, respectively (MC-ICPMS and TIMS). Weakly hydrated (A) clasts largely consist of Mg-rich anhydrous silicates with local hydrated veins composed of phyllosilicates, magnetite and globular and diffuse organic matter. Extensively hydrated clasts (H) are thoroughly hydrated and contain Fe-sulfides, sometimes clustered with organic matter, as well as magnetite and carbonates embedded in a phyllosilicate matrix. The A-clasts are characterized by a more 15N-rich bulk nitrogen isotope composition (δ15N = 200-650‰) relative to H-clasts (δ15N = 50-180‰) and contain extremely 15N-rich domains with δ15N < 5000‰. The D/H ratios of the clasts are correlated with the degree of clast hydration and define two distinct populations, which we interpret as reflecting mixing between D-poor fluid(s) and distinct organic endmember components that are variably D-rich. High-resolution N isotope data of 15N

  13. Social behavior of bacteria: from physics to complex organization

    Science.gov (United States)

    Ben-Jacob, E.

    2008-10-01

    I describe how bacteria develop complex colonial patterns by utilizing intricate communication capabilities, such as quorum sensing, chemotactic signaling and exchange of genetic information (plasmids) Bacteria do not store genetically all the information required for generating the patterns for all possible environments. Instead, additional information is cooperatively generated as required for the colonial organization to proceed. Each bacterium is, by itself, a biotic autonomous system with its own internal cellular informatics capabilities (storage, processing and assessments of information). These afford the cell certain plasticity to select its response to biochemical messages it receives, including self-alteration and broadcasting messages to initiate alterations in other bacteria. Hence, new features can collectively emerge during self-organization from the intra-cellular level to the whole colony. Collectively bacteria store information, perform decision make decisions (e.g. to sporulate) and even learn from past experience (e.g. exposure to antibiotics)-features we begin to associate with bacterial social behavior and even rudimentary intelligence. I also take Schrdinger’s’ “feeding on negative entropy” criteria further and propose that, in addition organisms have to extract latent information embedded in the environment. By latent information we refer to the non-arbitrary spatio-temporal patterns of regularities and variations that characterize the environmental dynamics. In other words, bacteria must be able to sense the environment and perform internal information processing for thriving on latent information embedded in the complexity of their environment. I then propose that by acting together, bacteria can perform this most elementary cognitive function more efficiently as can be illustrated by their cooperative behavior.

  14. Complexity Analysis of Industrial Organizations Based on a Perspective of Systems Engineering Analysts

    Directory of Open Access Journals (Sweden)

    I. H. Garbie

    2011-12-01

    Full Text Available Complexity in industrial organizations became more difficult and complex to be solved and it needs more attention from academicians and technicians. For these reasons, complexity in industrial organizations represents a new challenge in the next decades. Until now, analysis of industrial organizations complexity is still remaining a research topic of immense international interest and they require reduction in their complexity. In this paper, analysis of complexity in industrial organizations is shown based on the perspective of systems engineering analyst. In this perspective, analysis of complexity was divided into different levels and these levels were defined as complexity levels. A framework of analyzing these levels was proposed and suggested based on the complexity in industrial organizations. This analysis was divided into four main issues: industrial system vision, industrial system structure, industrial system operating, and industrial system evaluating. This analysis shows that the complexity of industrial organizations is still an ill-structured and a multi-dimensional problem.

  15. Understanding implementation in complex public organizations – implication for practice

    Directory of Open Access Journals (Sweden)

    Gry Cecilie Høiland

    2016-10-01

    Full Text Available The effective implementation of politically initiated public service innovations to the front-lines of the public service organization, where the innovation is to be applied, is a challenge that both practitioners and researchers struggle to solve. We highlight the importance of analysing contextual factors at several levels of the implementation system, as well as the importance of considering how the practical everyday work situations of the front-line workers influence their application of the innovation in question. We illustrate this by exploring the implementation process of a specific work inclusion measure, looking at its wider context and some of its implementation outcomes at a specific public agency. The intention is to illustrate the significance of considering the contextual complexity influencing implementation work as a reminder for practitioners to take this into account in their planning and practices.

  16. Synthesis, structural modelling and luminescence of a novel erbium(III) complex with 2,4-nonanedione and 2,2‧-bipyridine ligands for chitosan matrices doping

    Science.gov (United States)

    Martín-Ramos, P.; Chamorro-Posada, P.; Ramos Silva, M.; Pereira da Silva, P. S.; Martín, I. R.; Lahoz, F.; Lavín, V.; Martín-Gil, J.

    2015-03-01

    We report the synthesis, the Sparkle/PM7 semi-empirical quantum model for the ground state geometry and the absorption/luminescent properties of the Er3+ ternary complex [Er(nd)3(bipy)] (where Hnd is 2,4-nonanedione and bipy is 2,2‧-bipyridine). The solid-state electronic absorption spectra and the photoluminescent spectra show long-wavelength 4f-4f transitions which provide a potential use of the compound as a NIR-emitting material for the doping of polymer-based matrices for waveguides or for bio-analytical applications. The dispersion of the novel complex in a biocompatible chitosan film has been assessed.

  17. Structural organization and spectroscopy of peptide-actinide(IV) complexes

    International Nuclear Information System (INIS)

    Dahou, S.

    2010-01-01

    The contamination of living organisms by actinide elements is at the origin of both radiological and chemical toxicity that may lead to severe dysfunction. Most of the data available on the actinide interaction with biological systems are macroscopic physiological measurements and are lacking a molecular description of the systems. Because of the intricacy of these systems, classical biochemical methods are difficult to implement. Our strategy consisted in designing simplified biomimetic peptides, and describing the corresponding intramolecular interactions with actinides. A carboxylic pentapeptide of the form DDPDD has been at the starting point of this work in order to further assess the influence of the peptide sequence on the topology of the complexes.To do so, various linear (Asp/Ala permutations, peptoids) and cyclic analogues have been synthesized. Furthermore, in order to include the hydroxamic function (with a high affinity for Fe(III)) in the peptide, both desferrioxamine and acetohydroxamic acid have been investigated. However because of difficulties in synthesis, we have not been able to test these peptides. Three actinide cations have been considered at oxidation state +IV (Th, Np, Pu) and compared to Fe(III), often considered as a biological surrogate of Pu(IV). The spatial arrangement of the peptide around the cation has been probed by spectrophotometry and X-ray Absorption Spectroscopy. The spectroscopic data and EXAFS data adjustment lead us to rationalize the topology of the complexes as a function of the peptide sequence: mix hydroxy polynuclear species for linear and cyclic peptides, mononuclear for the desferrioxamine complexes. Furthermore, significant differences have appeared between Fe(III) and actinide(IV), related to differences of reactivity in aqueous medium. (author)

  18. Redefining the modular organization of the core Mediator complex.

    Science.gov (United States)

    Wang, Xuejuan; Sun, Qianqian; Ding, Zhenrui; Ji, Jinhua; Wang, Jianye; Kong, Xiao; Yang, Jianghong; Cai, Gang

    2014-07-01

    The Mediator complex plays an essential role in the regulation of eukaryotic transcription. The Saccharomyces cerevisiae core Mediator comprises 21 subunits, which are organized into Head, Middle and Tail modules. Previously, the Head module was assigned to a distinct dense domain at the base, and the Middle and Tail modules were identified to form a tight structure above the Head module, which apparently contradicted findings from many biochemical and functional studies. Here, we compared the structures of the core Mediator and its subcomplexes, especially the first 3D structure of the Head + Middle modules, which permitted an unambiguous assignment of the three modules. Furthermore, nanogold labeling pinpointing four Mediator subunits from different modules conclusively validated the modular assignment, in which the Head and Middle modules fold back on one another and form the upper portion of the core Mediator, while the Tail module forms a distinct dense domain at the base. The new modular model of the core Mediator has reconciled the previous inconsistencies between the structurally and functionally defined Mediator modules. Collectively, these analyses completely redefine the modular organization of the core Mediator, which allow us to integrate the structural and functional information into a coherent mechanism for the Mediator's modularity and regulation in transcription initiation.

  19. Radio catalysis application in degradation of complex organic samples

    International Nuclear Information System (INIS)

    Moreno L, A.

    2014-01-01

    The generation of wastewater is a consequence of human activities, industries to be the generators of a large part of these discharges. These contaminated waters can be processed for their remediation; however the recalcitrant organic compounds are hardly removed through conventional treatments applied, so that new technologies have been developed for disposal such as the advanced oxidation technologies or processes. With the aim of the study is to apply ionizing radiation as a method of remediation in wastewater, in this work were carried out experiments of radiolysis and radio catalysis, which are techniques considered advanced oxidation technologies, that consist in irradiate with 60 Co gamma radiation solutions of 4- chloro phenol and methylene blue, applied at different concentrations and using as process control measurements of the compound not degraded by UV-vis spectrophotometry at 507 and 664 nm for 4-chloro phenol and methylene blue respectively. At doses greater than 2.5 kGy were near-zero degradation. Degradation experiments were also conducted by photo catalysis by irradiation with a UV lamp of 354 nm wavelength. For 4-chloro phenol results showed that degradation is efficient (39%). With those previous results, these techniques were applied to degrade complex mixtures of organic compounds from samples of wastewater from a sewage treatment plant, where was considered as process control measurement of the dissolved organic carbon obtained by a spectrophotometric analysis at 254 nm, and a maximum of 26% degradation was obtained by applying 80 kGy. On the other hand, a series of experiments fractionating the irradiations at intervals of 20 kGy to obtain a cumulative dose of 80 kGy, which was 2.8 times greater with respect to degradation by radio catalysis with continuous irradiation. (Author)

  20. Theoretical Properties for Neural Networks with Weight Matrices of Low Displacement Rank

    OpenAIRE

    Zhao, Liang; Liao, Siyu; Wang, Yanzhi; Li, Zhe; Tang, Jian; Pan, Victor; Yuan, Bo

    2017-01-01

    Recently low displacement rank (LDR) matrices, or so-called structured matrices, have been proposed to compress large-scale neural networks. Empirical results have shown that neural networks with weight matrices of LDR matrices, referred as LDR neural networks, can achieve significant reduction in space and computational complexity while retaining high accuracy. We formally study LDR matrices in deep learning. First, we prove the universal approximation property of LDR neural networks with a ...

  1. Biogeochemical stability and reactions of iron-organic carbon complexes

    Science.gov (United States)

    Yang, Y.; Adhikari, D.; Zhao, Q.; Dunham-Cheatham, S.; Das, K.; Mejia, J.; Huang, R.; Wang, X.; Poulson, S.; Tang, Y.; Obrist, D.; Roden, E. E.

    2017-12-01

    Our core hypothesis is that the degradation rate of soil organic carbon (OC) is governed by the amount of iron (Fe)-bound OC, and the ability of microbial communities to utilize OC as an energy source and electron shuttle for Fe reduction that in turn stimulates reductive release of Fe-bound labile dissolved OC. This hypothesis is being systematically evaluated using model Fe-OC complexes, natural soils, and microcosm system. We found that hematite-bound aliphatic C was more resistant to reduction release, although hematite preferred to sorb more aromatic C. Resistance to reductive release represents a new mechanism that aliphatic soil OC was stabilized by association with Fe oxide. In other studies, pyrogenic OC was found to facilitate the reduction of hematite, by enhancing extracellular electron transport and sorbing Fe(II). For ferrihydrite-OC co-precipitates, the reduction of Fe and release of OC was closely governed by the C/Fe ratio in the system. Based on the XPS, XANES and XAFS analysis, the transformation of Fe speciation was heterogeneous, depending on the conformation and composition of Fe-OC complexes. For natural soils, we investigated the quantity, characteristics, and reactivity of Fe-bound OC in soils collected from 14 forests in the United States. Fe-bound OC contributed up to 57.8% of total OC in the forest soils. Under the anaerobic conditions, the reduction of Fe was positively correlated to the electron accepting capacity of OC. Our findings highlight the closely coupled dynamics of Fe and OC, with broad implications on the turnover of OC and biogeochemical cycles of Fe.

  2. Multi-organ technetium complexes production and use thereof

    International Nuclear Information System (INIS)

    Koehler, G.A.; Pestel, G.M.

    1976-01-01

    Chemical complexes, useful as radiopharmaceuticals, are formed by reacting technetium-99m with substituted or unsubstituted alkyl monophosphonic acids and certain ester derivatives thereof. The complexes are formed by reducing pertechnetate ion chemically or electrolytically in the presence of the phosphonic acid. By chemical modification of the phosphonic acid complexing agent, it is possible to ''tailor'' complexes for kidney, liver or bone imaging. The complexes are normally used in a physiologically acceptable aqueous medium. 20 Claims, No Drawings

  3. Chemiluminescence in cryogenic matrices

    Science.gov (United States)

    Lotnik, S. V.; Kazakov, Valeri P.

    1989-04-01

    The literature data on chemiluminescence (CL) in cryogenic matrices have been classified and correlated for the first time. The role of studies on phosphorescence and CL at low temperatures in the development of cryochemistry is shown. The features of low-temperature CL in matrices of nitrogen and inert gases (fine structure of spectra, matrix effects) and the data on the mobility and reactivity of atoms and radicals at very low temperatures are examined. The trends in the development of studies on CL in cryogenic matrices, such as the search for systems involving polyatomic molecules and extending the forms of CL reactions, are followed. The reactions of active nitrogen with hydrocarbons that are accompanied by light emission and CL in the oxidation of carbenes at T >= 77 K are examined. The bibliography includes 112 references.

  4. Matrices in Engineering Problems

    CERN Document Server

    Tobias, Marvin

    2011-01-01

    This book is intended as an undergraduate text introducing matrix methods as they relate to engineering problems. It begins with the fundamentals of mathematics of matrices and determinants. Matrix inversion is discussed, with an introduction of the well known reduction methods. Equation sets are viewed as vector transformations, and the conditions of their solvability are explored. Orthogonal matrices are introduced with examples showing application to many problems requiring three dimensional thinking. The angular velocity matrix is shown to emerge from the differentiation of the 3-D orthogo

  5. Assessing Environmental Exposure to β-N-Methylamino-L-Alanine (BMAA) in Complex Sample Matrices: a Comparison of the Three Most Popular LC-MS/MS Methods.

    Science.gov (United States)

    Baker, Teesha C; Tymm, Fiona J M; Murch, Susan J

    2018-01-01

    β-N-Methylamino-L-alanine (BMAA) is a naturally occurring non-protein amino acid produced by cyanobacteria, accumulated through natural food webs, found in mammalian brain tissues. Recent evidence indicates an association between BMAA and neurological disease. The accurate detection and quantification of BMAA in food and environmental samples are critical to understanding BMAA metabolism and limiting human exposure. To date, there have been more than 78 reports on BMAA in cyanobacteria and human samples, but different methods give conflicting data and divergent interpretations in the literature. The current work was designed to determine whether orthogonal chromatography and mass spectrometry methods give consistent data interpretation from a single sample matrix using the three most common analytical methods. The methods were recreated as precisely as possible from the literature with optimization of the mass spectrometry parameters specific to the instrument. Four sample matrices, cyanobacteria, human brain, blue crab, and Spirulina, were analyzed as 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate (AQC) derivatives, propyl chloroformate (PCF) derivatives separated by reverse phase chromatography, or underivatized extracts separated by HILIC chromatography. The three methods agreed on positive detection of BMAA in cyanobacteria and no detected BMAA in the sample of human brain matrix. Interpretation was less clear for a sample of blue crab which was strongly positive for BMAA by AQC and PCF but negative by HILIC and for four spirulina raw materials that were negative by PCF but positive by AQC and HILIC. Together, these data demonstrate that the methods gave different results and that the choices in interpretation of the methods determined whether BMAA was detected. Failure to detect BMAA cannot be considered proof of absence.

  6. Infinite matrices and sequence spaces

    CERN Document Server

    Cooke, Richard G

    2014-01-01

    This clear and correct summation of basic results from a specialized field focuses on the behavior of infinite matrices in general, rather than on properties of special matrices. Three introductory chapters guide students to the manipulation of infinite matrices, covering definitions and preliminary ideas, reciprocals of infinite matrices, and linear equations involving infinite matrices.From the fourth chapter onward, the author treats the application of infinite matrices to the summability of divergent sequences and series from various points of view. Topics include consistency, mutual consi

  7. Complex organizations: the case of the Brazilian nuclear sector

    International Nuclear Information System (INIS)

    Xavier, Roberto Salles

    2009-01-01

    The resumption of the Brazilian Nuclear Program (BNP), in the proposed size and after 20 years of paralysis, requires profound changes in the current organizational modeling of the national nuclear industry. The effectiveness of any process of organizational change is limited to three factors. The theoretical bottleneck happens when you do not know enough about a phenomenon in order to effect the desired changes. The resource bottleneck occurs when knowledge may be available to change people's behavior but the funds necessary for implementation may be lacking. The organizational bottleneck emerges when there are knowledge and resources to solve a problem, but may not able to organize the resources in order to carry out the problem-solving effort. In the case of resumption of BNP seems clear that there is the knowledge of what is needed to make policy and the intention to allocate the necessary resources. But the question is the following: the current organizational model of the Brazilian nuclear sector is consistent with the goals laid down in the scenario of resumption of BNP? That is, is there organizational ability to leverage a program of the size proposed for the nuclear area? Find answers to these questions is crucial, because the organizational model of the Brazilian nuclear sector consists of elements involving a complex interorganizational system. Thus, this article is to examine the appropriateness of the current organizational modeling of the Brazilian nuclear sector to current demands of society. As a result, the article aims to propose recommendations for a remodeling of the nuclear sector, taking into account the current national and international scenarios of nuclear energy. (author)

  8. Hydrogen transfer reactions of interstellar Complex Organic Molecules

    Science.gov (United States)

    Álvarez-Barcia, S.; Russ, P.; Kästner, J.; Lamberts, T.

    2018-06-01

    Radical recombination has been proposed to lead to the formation of complex organic molecules (COMs) in CO-rich ices in the early stages of star formation. These COMs can then undergo hydrogen addition and abstraction reactions leading to a higher or lower degree of saturation. Here, we have studied 14 hydrogen transfer reactions for the molecules glyoxal, glycoaldehyde, ethylene glycol, and methylformate and an additional three reactions where CHnO fragments are involved. Over-the-barrier reactions are possible only if tunneling is invoked in the description at low temperature. Therefore the rate constants for the studied reactions are calculated using instanton theory that takes quantum effects into account inherently. The reactions were characterized in the gas phase, but this is expected to yield meaningful results for CO-rich ices due to the minimal alteration of reaction landscapes by the CO molecules. We found that rate constants should not be extrapolated based on the height of the barrier alone, since the shape of the barrier plays an increasingly larger role at decreasing temperature. It is neither possible to predict rate constants based only on considering the type of reaction, the specific reactants and functional groups play a crucial role. Within a single molecule, though, hydrogen abstraction from an aldehyde group seems to be always faster than hydrogen addition to the same carbon atom. Reactions that involve heavy-atom tunneling, e.g., breaking or forming a C-C or C-O bond, have rate constants that are much lower than those where H transfer is involved.

  9. Mobility of organic complexes of radionuclides in soils

    International Nuclear Information System (INIS)

    Swanson, J.L.

    1983-01-01

    Results are presented to illustrate the importance of another important aspect of kinetically-inert complexes of Ni and Co to radionuclide migration; such complexes can be sorbed by some soils, while only the uncomplexed species are sorbed by others. As shown earlier, when only uncomplexed species are sorbed the kinetic inertness of the complexes can prevent significant sorption of the radionuclides by soil. Other data provide added evidence that the importance of kinetically-inert complexes varies greatly among complexants, as well as among soils. 6 references, 8 figures

  10. Capture Matrices Handbook

    Science.gov (United States)

    2014-04-01

    materials, the affinity ligand would need identification , as well as chemistries that graft the affinity ligand onto the surface of magnetic...ACTIVE CAPTURE MATRICES FOR THE DETECTION/ IDENTIFICATION OF PHARMACEUTICALS...6 As shown in Figure 2.3-1a, the spectra exhibit similar baselines and the spectral peaks lineup . Under these circumstances, the spectral

  11. Moment matrices, border bases and radical computation

    NARCIS (Netherlands)

    B. Mourrain; J.B. Lasserre; M. Laurent (Monique); P. Rostalski; P. Trebuchet (Philippe)

    2013-01-01

    htmlabstractIn this paper, we describe new methods to compute the radical (resp. real radical) of an ideal, assuming it complex (resp. real) variety is nte. The aim is to combine approaches for solving a system of polynomial equations with dual methods which involve moment matrices and

  12. Moment matrices, border bases and radical computation

    NARCIS (Netherlands)

    Lasserre, J.B.; Laurent, M.; Mourrain, B.; Rostalski, P.; Trébuchet, P.

    2013-01-01

    In this paper, we describe new methods to compute the radical (resp. real radical) of an ideal, assuming its complex (resp. real) variety is finite. The aim is to combine approaches for solving a system of polynomial equations with dual methods which involve moment matrices and semi-definite

  13. Moment matrices, border bases and radical computation

    NARCIS (Netherlands)

    B. Mourrain; J.B. Lasserre; M. Laurent (Monique); P. Rostalski; P. Trebuchet (Philippe)

    2011-01-01

    htmlabstractIn this paper, we describe new methods to compute the radical (resp. real radical) of an ideal, assuming it complex (resp. real) variety is nte. The aim is to combine approaches for solving a system of polynomial equations with dual methods which involve moment matrices and

  14. The Modern Origin of Matrices and Their Applications

    Science.gov (United States)

    Debnath, L.

    2014-01-01

    This paper deals with the modern development of matrices, linear transformations, quadratic forms and their applications to geometry and mechanics, eigenvalues, eigenvectors and characteristic equations with applications. Included are the representations of real and complex numbers, and quaternions by matrices, and isomorphism in order to show…

  15. Structure of rhenium (5) complexes with petroleum organic sulfur compounds

    International Nuclear Information System (INIS)

    Akhmadieva, R.G.; Yusupova, N.A.; Numanov, N.U.; Basitova, S.M.

    1985-01-01

    Structure of Re(5) complexes with petroleum sulfides (L) of ReOCl 3 (L) 2 composition is studied by the UV- and IR-spectroscopy method in a short-wave and long-wave ranges. It is shown that Re(5) complex with L are of the form of flattened octahedron,where three Cl atoms and one L molecule are arranged in the plane around Re atom. The structure is analogous to structure of Re complexes with synthetic cyclic sulfides

  16. Complexes of actinides with naturally occuring organic substances - Literature survey

    International Nuclear Information System (INIS)

    Olofsson, U.; Allard, B.

    1983-02-01

    Properties of naturally occurring humic and fulvic acids and their formation of actinide complexes are reviewed. Actinides in all the oxdation states III, IV, V and VI would form complexes with many humic and fulvic acids, comparable in strength to the hydroxide and carbonate complexes. Preliminary experiments have shown, that the presence of predominantly humic acid complexes would significantly reduce the sorption of americium on geologic media. This does not, however, necessarily lead to a potentially enhanced mobility under environmental conditions, since humic and fulvic acids carrying trace metals also would be strongly bound to e.g. clayish material. (author)

  17. Introduction to matrices and vectors

    CERN Document Server

    Schwartz, Jacob T

    2001-01-01

    In this concise undergraduate text, the first three chapters present the basics of matrices - in later chapters the author shows how to use vectors and matrices to solve systems of linear equations. 1961 edition.

  18. Single particle ICP-MS combined with a data evaluastion tool as a routine techique for the analysis of nanoparticles in complex matrices

    NARCIS (Netherlands)

    Peters, R.J.B.; Herrera-Rivera, Z.; Undas, A.K.; Lee, van der M.K.; Marvin, H.J.P.; Bouwmeester, H.; Weigel, S.

    2015-01-01

    Detection and characterization of nanoparticles (NPs) in complex media as consumer products, food and toxicological test media is an essential part of understanding the potential benefits and risks of the application of nanoparticles. Single particle ICP-MS (spICP-MS) was studied as a screening tool

  19. Synthesis and Characterization of Organ Tin (IV) Complexes ...

    African Journals Online (AJOL)

    User

    2012-08-21

    Aug 21, 2012 ... the reference drug. In addition, within the diorganotin(IV) complexes, monomeric type (3) exhibited a slightly better activity as compared to the organodistannoxane dimer types (1 and 4). Key words: Preliminary in vitro cytotoxic assay, organotin(IV) complexes, comparison study. INTRODUCTION. Although ...

  20. Hydrophilic interaction chromatography coupled matrix assisted laser desorption/ionization mass spectrometry for molecular analysis of organic compounds in medicines, tea, and coffee

    KAUST Repository

    Wang, Renqi; Bao, Kai; Croue, Jean-Philippe; Ng, Siuchoon

    2013-01-01

    Natural occurring organic compounds from food, natural organic matter, as well as metabolic products have received intense attention in current chemical and biological studies. Examination of unknown compounds in complex sample matrices is hampered

  1. Strategies for radiolabeling of commercial TiO{sub 2} nanopowder as a tool for sensitive nanoparticle detection in complex matrices

    Energy Technology Data Exchange (ETDEWEB)

    Hildebrand, Heike, E-mail: h.hildebrand@hzdr.de; Schymura, Stefan [Institute of Resource Ecology, Helmholtz-Zentrum Dresden - Rossendorf (Germany); Holzwarth, Uwe; Gibson, Neil; Dalmiglio, Matteo [Institute for Health and Consumer Protection, European Commission, Nanobiosciences Unit, Joint Research Centre (Italy); Franke, Karsten [Institute of Resource Ecology, Helmholtz-Zentrum Dresden - Rossendorf (Germany)

    2015-06-15

    Detection and quantification of engineered nanoparticles (NPs) in complex environmental or biological media is a major challenge since NP concentrations are generally expected to be low compared to elemental background levels. This study presents three different options for radiolabeling of commercial titania NP (TiO{sub 2}-NP, AEROXIDE{sup ®} P25, Evonik Industries, mean diameter 21 nm) for particle detection, localization, and tracing under various experimental conditions. The radiolabeling procedures ensure stability and consistency of important particle properties such as size and morphology. With the presented radiolabeling methods, detection (and quantification) limits for TiO{sub 2}-NPs in concentrations as low as 0.5 ng/L can be realized in complex systems without the necessity of intense sample purification or pretreatment.

  2. Physical and Bioengineering Properties of Polyvinyl Alcohol Lens-Shaped Particles Versus Spherical Polyelectrolyte Complex Microcapsules as Immobilisation Matrices for a Whole-Cell Baeyer–Villiger Monooxygenase

    Czech Academy of Sciences Publication Activity Database

    Schenkmayerová, A.; Bučko, M.; Gemeiner, P.; Treľová, D.; Lacík, I.; Chorvát Jr., D.; Ačai, P.; Polakovič, M.; Lipták, L.; Rebroš, M.; Rosenberg, M.; Štefuca, V.; Neděla, Vilém; Tihlaříková, Eva

    2014-01-01

    Roč. 174, č. 5 (2014), s. 1834-1849 ISSN 0273-2289 R&D Projects: GA ČR(CZ) GA14-22777S Institutional support: RVO:68081731 Keywords : polyelectrolyte complex microcapsules * LentiKats * confocal laser scanning microscopy * inverse size exclusion chromatography * environmental scanning electron microscopy * Baeyer–Villiger biooxidation Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.735, year: 2014

  3. Remedial action of matrices contaminated by cobalt with supercritical CO_2: contribution to the understanding of the complex formation mechanisms and to the diphasic transfers

    International Nuclear Information System (INIS)

    Gervais, Florence

    2001-01-01

    Soils rehabilitation using supercritical CO_2 seems an interesting alternative way to existing techniques. No effluents are generated during the supercritical fluid extraction, which is the main advantage of this process. In order to be extracted by this techniques, metals or radionuclides have to be complexed by suitable chelating agents. Beta-diketones and dithiocarbamates (fluorinated or not) have been chosen. The first part of this work deals with chemical equilibria mechanisms study in an aqueous phase. Experiments show a very weak cobalt complexation kinetics with acetylacetone. Moreover, this complex exhibit a hydrophilic behaviour. On the other hand, cobalt and dithiocarbamate instantaneously from a chelate which is very hydrophobic. Mass transfer between extracting and aqueous phases (hexane and SC CO_2) are also investigated. Supercritical CO_2 seems to have a greater affinity towards fluorinated beta-diketones than hexane. This tendency is confirmed by in situ commercial chelates (fluorinates or not) solubility measurements using X-ray absorption spectroscopy. However, cobalt-beta-diketonates are hydrophilic because of their partial hydration. This kind of chelating agents is not suitable to cobalt supercritical fluid extraction from an aqueous phase. Inversely, distribution coefficients of hydrophobic dithiocarbamates are higher than beta-diketonates, whatever the extracting solvent is. Metals extraction from an aqueous matrix seems possible with these chelating agents. (author) [fr

  4. Graphs and matrices

    CERN Document Server

    Bapat, Ravindra B

    2014-01-01

    This new edition illustrates the power of linear algebra in the study of graphs. The emphasis on matrix techniques is greater than in other texts on algebraic graph theory. Important matrices associated with graphs (for example, incidence, adjacency and Laplacian matrices) are treated in detail. Presenting a useful overview of selected topics in algebraic graph theory, early chapters of the text focus on regular graphs, algebraic connectivity, the distance matrix of a tree, and its generalized version for arbitrary graphs, known as the resistance matrix. Coverage of later topics include Laplacian eigenvalues of threshold graphs, the positive definite completion problem and matrix games based on a graph. Such an extensive coverage of the subject area provides a welcome prompt for further exploration. The inclusion of exercises enables practical learning throughout the book. In the new edition, a new chapter is added on the line graph of a tree, while some results in Chapter 6 on Perron-Frobenius theory are reo...

  5. Gendered Managerial Discourses in Sport Organizations: Multiplicity and Complexity

    NARCIS (Netherlands)

    Knoppers, Annelies; Anthonissen, A.

    2007-01-01

    The lack of women in senior management functions in sport may in part be attributed to dominant discursive managerial practices in sport organizations. The purpose of this study is to explore ways in which the discourses and their subtexts used by directors of Dutch national sport organizations

  6. Implications of Complexity and Chaos Theories for Organizations that Learn

    Science.gov (United States)

    Smith, Peter A. C.

    2003-01-01

    In 1996 Hubert Saint-Onge and Smith published an article ("The evolutionary organization: avoiding a Titanic fate", in The Learning Organization, Vol. 3 No. 4), based on their experience at the Canadian Imperial Bank of Commerce (CIBC). It was established at CIBC that change could be successfully facilitated through blended application…

  7. Hierarchical quark mass matrices

    International Nuclear Information System (INIS)

    Rasin, A.

    1998-02-01

    I define a set of conditions that the most general hierarchical Yukawa mass matrices have to satisfy so that the leading rotations in the diagonalization matrix are a pair of (2,3) and (1,2) rotations. In addition to Fritzsch structures, examples of such hierarchical structures include also matrices with (1,3) elements of the same order or even much larger than the (1,2) elements. Such matrices can be obtained in the framework of a flavor theory. To leading order, the values of the angle in the (2,3) plane (s 23 ) and the angle in the (1,2) plane (s 12 ) do not depend on the order in which they are taken when diagonalizing. We find that any of the Cabbibo-Kobayashi-Maskawa matrix parametrizations that consist of at least one (1,2) and one (2,3) rotation may be suitable. In the particular case when the s 13 diagonalization angles are sufficiently small compared to the product s 12 s 23 , two special CKM parametrizations emerge: the R 12 R 23 R 12 parametrization follows with s 23 taken before the s 12 rotation, and vice versa for the R 23 R 12 R 23 parametrization. (author)

  8. Semi-Targeted Analysis of Complex Matrices by ESI FT-ICR MS or How an Experimental Bias may be Used as an Analytical Tool

    Science.gov (United States)

    Hertzog, Jasmine; Carré, Vincent; Dufour, Anthony; Aubriet, Frédéric

    2018-03-01

    Ammonia is well suited to favor deprotonation process in electrospray ionization mass spectrometry (ESI-MS) to increase the formation of [M - H]-. Nevertheless, NH3 may react with carbonyl compounds (aldehyde, ketone) and bias the composition description of the investigated sample. This is of significant importance in the study of complex mixture such as oil or bio-oil. To assess the ability of primary amines to form imines with carbonyl compounds during the ESI-MS process, two aldehydes (vanillin and cinnamaldehyde) and two ketones (butyrophenone and trihydroxyacetophenone) have been infused in an ESI source with ammonia and two different amines (aniline and 3-chloronaniline). The (+) ESI-MS analyses have demonstrated the formation of imine whatever the considered carbonyl compound and the used primary amine, the structure of which was extensively studied by tandem mass spectrometry. Thus, it has been established that the addition of ammonia, in the solution infused in an ESI source, may alter the composition description of a complex mixture and leads to misinterpretations due to the formation of imines. Nevertheless, this experimental bias can be used to identify the carbonyl compounds in a pyrolysis bio-oil. As we demonstrated, infusion of the bio-oil with 3-chloroaniline in ESI source leads to specifically derivatized carbonyl compounds. Thanks to their chlorine isotopic pattern and the high mass measurement accuracy, (+) ESI Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) unambiguously highlighted them from the numerous CxHyOz bio-oil components. These results offer a new perspective into the detailed molecular structure of complex mixtures such as bio-oils. [Figure not available: see fulltext.

  9. Complex organic molecules in strongly UV-irradiated gas

    Science.gov (United States)

    Cuadrado, S.; Goicoechea, J. R.; Cernicharo, J.; Fuente, A.; Pety, J.; Tercero, B.

    2017-07-01

    We investigate the presence of complex organic molecules (COMs) in strongly UV-irradiated interstellar molecular gas. We have carried out a complete millimetre (mm) line survey using the IRAM 30 m telescope towards the edge of the Orion Bar photodissociation region (PDR), close to the H2 dissociation front, a position irradiated by a very intense far-UV (FUV) radiation field. These observations have been complemented with 8.5'' resolution maps of the H2CO JKa,Kc = 51,5 → 41,4 and C18O J = 3 → 2 emission at 0.9 mm. Despite being a harsh environment, we detect more than 250 lines from COMs and related precursors: H2CO, CH3OH, HCO, H2CCO, CH3CHO, H2CS, HCOOH, CH3CN, CH2NH, HNCO, H213CO, and HC3N (in decreasing order of abundance). For each species, the large number of detected lines allowed us to accurately constrain their rotational temperatures (Trot) and column densities (N). Owing to subthermal excitation and intricate spectroscopy of some COMs (symmetric- and asymmetric-top molecules such as CH3CN and H2CO, respectively), a correct determination of N and Trot requires building rotational population diagrams of their rotational ladders separately. The inferred column densities are in the 1011-1013 cm-2 range. We also provide accurate upper limit abundances for chemically related molecules that might have been expected, but are not conclusively detected at the edge of the PDR (HDCO, CH3O, CH3NC, CH3CCH, CH3OCH3, HCOOCH3, CH3CH2OH, CH3CH2CN, and CH2CHCN). A non-thermodynamic equilibrium excitation analysis for molecules with known collisional rate coefficients suggests that some COMs arise from different PDR layers but we cannot resolve them spatially. In particular, H2CO and CH3CN survive in the extended gas directly exposed to the strong FUV flux (Tk = 150-250 K and Td≳ 60 K), whereas CH3OH only arises from denser and cooler gas clumps in the more shielded PDR interior (Tk = 40-50 K). The non-detection of HDCO towards the PDR edge is consistent with the

  10. A Comparative Study of the Application of Fluorescence Excitation-Emission Matrices Combined with Parallel Factor Analysis and Nonnegative Matrix Factorization in the Analysis of Zn Complexation by Humic Acids

    Directory of Open Access Journals (Sweden)

    Patrycja Boguta

    2016-10-01

    Full Text Available The main aim of this study was the application of excitation-emission fluorescence matrices (EEMs combined with two decomposition methods: parallel factor analysis (PARAFAC and nonnegative matrix factorization (NMF to study the interaction mechanisms between humic acids (HAs and Zn(II over a wide concentration range (0–50 mg·dm−3. The influence of HA properties on Zn(II complexation was also investigated. Stability constants, quenching degree and complexation capacity were estimated for binding sites found in raw EEM, EEM-PARAFAC and EEM-NMF data using mathematical models. A combination of EEM fluorescence analysis with one of the proposed decomposition methods enabled separation of overlapping binding sites and yielded more accurate calculations of the binding parameters. PARAFAC and NMF processing allowed finding binding sites invisible in a few raw EEM datasets as well as finding totally new maxima attributed to structures of the lowest humification. Decomposed data showed an increase in Zn complexation with an increase in humification, aromaticity and molecular weight of HAs. EEM-PARAFAC analysis also revealed that the most stable compounds were formed by structures containing the highest amounts of nitrogen. The content of oxygen-functional groups did not influence the binding parameters, mainly due to fact of higher competition of metal cation with protons. EEM spectra coupled with NMF and especially PARAFAC processing gave more adequate assessments of interactions as compared to raw EEM data and should be especially recommended for modeling of complexation processes where the fluorescence intensities (FI changes are weak or where the processes are interfered with by the presence of other fluorophores.

  11. Application of different methodologies in the preparation of organic matrices for determination of trace elements by differential pulse anodic stripping voltammetry

    International Nuclear Information System (INIS)

    Sisti, Cristina

    2001-01-01

    The determination of trace elements in food samples is of great importance for the human health, considering the factors of essentiality and toxicity. On the other hand, the chemical analysis is largely affected for the steps of sample preparation; laboratory contamination of the sample and the reagents or still volatilization and losses of the elements. If these parameters are not controlled the achieved precision and accuracy could be low. In this work, the content of zinc, cadmium, lead and copper was determined in adults diet samples collected by duplicate portion technique and bovine liver, applying the differential pulse anodic stripping voltametry - (DP-ASV) technique. In the digestion of the matrices in acid medium, conventional methodologies were used, conductive heating in open recipients and equipment with microwaves source in open and closed vessels. The best procedure was the sample digestion by microwaves, in closed vessels and the other treatments made in controlled atmosphere with hood laminar-airflow class 100. The established methodology was validated with the use of a certified sample as reference (NIST - bovine liver 1577b). (author)

  12. Understanding and Designing Military Organizations for a Complex Dynamic Environment

    National Research Council Canada - National Science Library

    Hicks, Christopher E

    2008-01-01

    .... The two theories will be used to describe the external environment and how it relates to DoD organizations, current DoD organizational structures, and transformational concepts related to organizational design...

  13. White organic light-emitting diodes with Zn-complexes.

    Science.gov (United States)

    Kim, Dong-Eun; Shin, Hoon-Kyu; Kim, Nam-Kyu; Lee, Burm-Jong; Kwon, Young-Soo

    2014-02-01

    This paper reviews OLEDs fabricated using Zn-complexes. Zn(HPB)2, Zn(HPB)q, and Zn(phen)q were synthesized as new electroluminescence materials. The electron affinity (EA) and ionization potential (IP) of Zn complexes were also determined and devices were characterized. Zn complexes such as Zn(HPB)2, Zn(HPB)q, and Zn(phen)q were found to exhibit blue and yellow emissions with wavelengths of 455, 532, and 535 nm, respectively. On the other hand, Zn(HPB)2 and Zn(HPB)q were applied as hole-blocking materials. As a result, the OLED efficiency by using Zn(HPB)2 as a hole-blocking material was improved. In particular, the OLED property of Zn(HPB)2 was found to be better than that of Zn(HPB)q. Moreover, Zn(phen)q was used as an electron-transporting material and compared with Alq3. The performance of the device with Zn(phen)q as an electron-transporting material was improved compared with Alq3-based devices. The Zn complexes can possibly be used as hole-blocking and electron-transporting materials in OLED devices. A white emission was ultimately realized from the OLED devices using Zn-complexes as inter-layer components.

  14. Mobility of organic complexes of some non-TRU fission and activation products: a selective review

    Energy Technology Data Exchange (ETDEWEB)

    Wiggins, D.J.; Franz, J.A.

    1978-05-01

    Zr, Nb, Ni, and possibly Tc are mobile in the presence of aqueous organic complexing agents to a certain extent. Low pH appears to be required for efficient complex formations with organic ligands in aqueous media. Zr complexes with a number of synthetic chelating agents such as EDTA, and DTPA to form stable, water-soluble complexes in acidic and neutral aqueous systems. Zr also complexes with HIMDA or HXG to form a stable, water soluble complex in any aqueous system and with ..cap alpha..-hydroxy carboxylic acids in alkaline aqueous systems. Uncomplexed Zr would be readily absorbed by or precipitated on soil. It is predicted that the organic complexes of Zr would be absorbed less by soil than uncomplexed zirconium. Nb generally forms the most stable complexes with nitrogen containing chelating ligands such as EDTA, and less stable complexes with ..cap alpha..-hydroxy carboxylic acids and monodentate ligands. Uncomplexed Nb would be efficiently absorbed by or precipitated on soil from aqueous systems. Despite the high stability constants of complexed Nb, one would predict that organic complexes of niobium would be absorbed by soil because of hydrolysis of complexed Nb to insoluble hydrous niobium oxide. Ni complexes strongly with a number of oxygen and nitrogen containing organic ligands. Uncomplexed Ni is absorbed by soil in acidic and neutral aqueous systems and precipitated on soil in alkaline aqueous systems. Two complexes of Ni are known to be absorbed to a much lesser extent by soil (Ni-DTPA, Ni-EDTA). Fulvic acid and synthetic chelating agents are known to greatly enhance the movement of Ni in soil and to reduce Ni absorption by soil. Tc complexes with organic ligands in a reducing environment but the behavior of these complexes in a nonreducing environment is unknown. 8 tables, 3 figs. 62 refs.

  15. Mobility of organic complexes of some non-TRU fission and activation products: a selective review

    International Nuclear Information System (INIS)

    Wiggins, D.J.; Franz, J.A.

    1978-05-01

    Zr, Nb, Ni, and possibly Tc are mobile in the presence of aqueous organic complexing agents to a certain extent. Low pH appears to be required for efficient complex formations with organic ligands in aqueous media. Zr complexes with a number of synthetic chelating agents such as EDTA, and DTPA to form stable, water-soluble complexes in acidic and neutral aqueous systems. Zr also complexes with HIMDA or HXG to form a stable, water soluble complex in any aqueous system and with α-hydroxy carboxylic acids in alkaline aqueous systems. Uncomplexed Zr would be readily absorbed by or precipitated on soil. It is predicted that the organic complexes of Zr would be absorbed less by soil than uncomplexed zirconium. Nb generally forms the most stable complexes with nitrogen containing chelating ligands such as EDTA, and less stable complexes with α-hydroxy carboxylic acids and monodentate ligands. Uncomplexed Nb would be efficiently absorbed by or precipitated on soil from aqueous systems. Despite the high stability constants of complexed Nb, one would predict that organic complexes of niobium would be absorbed by soil because of hydrolysis of complexed Nb to insoluble hydrous niobium oxide. Ni complexes strongly with a number of oxygen and nitrogen containing organic ligands. Uncomplexed Ni is absorbed by soil in acidic and neutral aqueous systems and precipitated on soil in alkaline aqueous systems. Two complexes of Ni are known to be absorbed to a much lesser extent by soil (Ni-DTPA, Ni-EDTA). Fulvic acid and synthetic chelating agents are known to greatly enhance the movement of Ni in soil and to reduce Ni absorption by soil. Tc complexes with organic ligands in a reducing environment but the behavior of these complexes in a nonreducing environment is unknown. 8 tables, 3 figs. 62 refs

  16. Determination of uranium and thorium in complex matrices by two solvent extraction separation techniques and photon electron rejecting alpha liquid spectrometry

    International Nuclear Information System (INIS)

    Ayranov, M.; Wacker, L.; Kraehenbuehl, U.

    2001-01-01

    The separation of uranium and thorium from complex matrixes such as marine sediments using solvent extraction and determination by means of photon-electron rejecting liquid alpha spectrometry (PERALS trademark) has successfully been performed. Two extraction schemes, using TOPO and HDEHP, respectively, were compared for the separation of uranium and thorium from the matrix components. The results show recoveries between 73 and 92% for 234 U, 238 U, 232 Th, 230 Th and 238 Th with an accuracy of the methods ±12%. Minimum detectable activities for counting time up to 500 000 seconds for 0.5 g sample material were between 0.34-1.15 Bq/kg for uranium and 0.31-1.66 Bq/kg for thorium. (orig.)

  17. Adaptive Fault-Tolerant Synchronization Control of a Class of Complex Dynamical Networks With General Input Distribution Matrices and Actuator Faults.

    Science.gov (United States)

    Li, Xiao-Jian; Yang, Guang-Hong

    2017-03-01

    This paper is concerned with the problem of adaptive fault-tolerant synchronization control of a class of complex dynamical networks (CDNs) with actuator faults and unknown coupling weights. The considered input distribution matrix is assumed to be an arbitrary matrix, instead of a unit one. Within this framework, an adaptive fault-tolerant controller is designed to achieve synchronization for the CDN. Moreover, a convex combination technique and an important graph theory result are developed, such that the rigorous convergence analysis of synchronization errors can be conducted. In particular, it is shown that the proposed fault-tolerant synchronization control approach is valid for the CDN with both time-invariant and time-varying coupling weights. Finally, two simulation examples are provided to validate the effectiveness of the theoretical results.

  18. A rapid screening procedure for the analysis of proliferation compounds in complex matrices using solid phase microextraction (SPME) and SPME with in-situ derivatization

    International Nuclear Information System (INIS)

    Alcaraz, A.; Hulsey, S.S.; Andresen, B.D.

    1995-01-01

    A variety of methods have been established using advanced chromatographic techniques and new detection systems for the analysis of chemical signatures associated with nuclear and chemical weapon (CW) proliferation. Most of these analytical methods are used in the laboratory and seldom applied in the field. The Chemical Weapons Convention (an international treaty to ban chemical weapons) may require the rapid on-site analysis of environmental samples which contain CW agents, their precursors, and/or their degradation products. In addition to the fact that certain countries are involved in CW non-compliance, there is a current uncertainty regarding nuclear proliferation. This also creates new demands on sample work-up and analytical instrumentation use in the field. The isolation and identification of unique chemical signatures in complex samples such as soils, waste tanks, and decontamination solutions would determine non-compliance. However, a primary area of detection research continues to be sample preparation. Most of the established sample cleanup technologies involve liquid/liquid, Soxhlet, or most recently, solid phase extraction (SPE). Despite the success of these traditional sample preparation techniques, they are time consuming and require multi-step procedures (especially when preparing samples for gas chromatographic mass-spectrometric analysis). The goal of this work is to demonstrate the advantages of utilizing SPME and SPME in-situ derivatization techniques to eliminate time consuming steps necessary to prepare a sample for on-site GC-MS. The authors' approach was to compare two SPME fibers and to develop methods to facilitate the isolation of polar and moderately polar proliferation compounds from complex environmental samples. This work will help to evaluate current SPME technologies for use during on-site environmental monitoring analysis

  19. Self-organization scenario acting as physical basis of intelligent complex systems created in laboratory

    International Nuclear Information System (INIS)

    Lozneanu, Erzilia; Sanduloviciu, Mircea

    2006-01-01

    The recognition of limits in the tendency to miniaturize the so-called self-organizing devices inspired scientists to seek inspiration from living organisms that operate with functional elements that employ thermal energy exploiting quantum phenomena. Here we show how such operations are performed by a complex space charge configuration emerged by self-organization in plasma. Endowed with a special kind of memory, the complexity is able to ensure its survival in a metastable state performing the operations 'learned' during its emergence by self-organization. Possessing memory, the complexity works as an intelligent system able to evolve under suitable environmental conditions

  20. Characterization of Aluminum(III) Complexes in Coal Organic Matter

    Czech Academy of Sciences Publication Activity Database

    Straka, Pavel

    2016-01-01

    Roč. 7, č. 4 (2016), s. 378-394 ISSN 2156-8251 Institutional support: RVO:67985891 Keywords : aluminium * complex * 27Al MAS NMR * coal * lignite * altered coal Subject RIV: DD - Geochemistry http://www.scirp.org/journal/AJAC/

  1. Complexity in behavioural organization and strongylid infection among wild chimpanzees

    Czech Academy of Sciences Publication Activity Database

    Burgunder, J.; Pafčo, B.; Petrželková, Klára Judita; Modrý, David; Hashimoto, C.; MacIntosh, A. J. J.

    2017-01-01

    Roč. 129, July (2017), s. 257-268 ISSN 0003-3472 Institutional support: RVO:60077344 Keywords : behavioural complexity * chimpanzees * fractal analysis * health monitoring * Pan troglodytes schweinfurthii * strongylid infection Subject RIV: EG - Zoology OBOR OECD: Zoology Impact factor: 2.869, year: 2016

  2. Complexity in behavioural organization and strongylid infection among wild chimpanzees

    Czech Academy of Sciences Publication Activity Database

    Burgunder, J.; Pafčo, B.; Petrželková, Klára Judita; Modrý, D.; Hashimoto, C.; MacIntosh, A. J. J.

    2017-01-01

    Roč. 129, July (2017), s. 257-268 ISSN 0003-3472 Institutional support: RVO:68081766 Keywords : behavioural complexity * chimpanzees * fractal analysis * health monitoring * Pan troglodytes schweinfurthii * strongylid infection Subject RIV: EG - Zoology OBOR OECD: Zoology Impact factor: 2.869, year: 2016

  3. Solubility of crystalline organic compounds in high and low molecular weight amorphous matrices above and below the glass transition by zero enthalpy extrapolation.

    Science.gov (United States)

    Amharar, Youness; Curtin, Vincent; Gallagher, Kieran H; Healy, Anne Marie

    2014-09-10

    Pharmaceutical applications which require knowledge of the solubility of a crystalline compound in an amorphous matrix are abundant in the literature. Several methods that allow the determination of such data have been reported, but so far have only been applicable to amorphous polymers above the glass transition of the resulting composites. The current work presents, for the first time, a reliable method for the determination of the solubility of crystalline pharmaceutical compounds in high and low molecular weight amorphous matrices at the glass transition and at room temperature (i.e. below the glass transition temperature), respectively. The solubilities of mannitol and indomethacin in polyvinyl pyrrolidone (PVP) K15 and PVP K25, respectively were measured at different temperatures. Mixtures of undissolved crystalline solute and saturated amorphous phase were obtained by annealing at a given temperature. The solubility at this temperature was then obtained by measuring the melting enthalpy of the crystalline phase, plotting it as a function of composition and extrapolating to zero enthalpy. This new method yielded results in accordance with the predictions reported in the literature. The method was also adapted for the measurement of the solubility of crystalline low molecular weight excipients in amorphous active pharmaceutical ingredients (APIs). The solubility of mannitol, glutaric acid and adipic acid in both indomethacin and sulfadimidine was experimentally determined and successfully compared with the difference between their respective calculated Hildebrand solubility parameters. As expected from the calculations, the dicarboxylic acids exhibited a high solubility in both amorphous indomethacin and sulfadimidine, whereas mannitol was almost insoluble in the same amorphous phases at room temperature. This work constitutes the first report of the methodology for determining an experimentally measured solubility for a low molecular weight crystalline solute

  4. Organic complexation of iron in the West Atlantic Ocean

    NARCIS (Netherlands)

    Gerringa, L.J.A.; Rijkenberg, M.J.; Schoemann, V.; Laan, P.; de Baar, H.J.W.

    2015-01-01

    The characteristics of the dissolved iron (DFe) binding organic ligands were determined during 3 Dutch GEOTRACES cruises covering the length of the West Atlantic Ocean. Adsorptive Differential Pulse Cathodic Stripping Voltammetry (AdDPCSV) with TAC as competing ligand was used to measure Fe binding

  5. Does Contract Complexity Limit Opportunities? Vertical Organization and Flexibility

    NARCIS (Netherlands)

    H.P.G. Pennings (Enrico)

    2010-01-01

    textabstractThe vertical organization of production entails a range of make-or-buy decisions of intermediate goods that are influenced by the difficulty of writing contracts with a potential supplier. When contracting causes high transaction costs, a firm can decide to vertically integrate the

  6. A divergent heritage for complex organics in Isheyevo lithic clasts

    DEFF Research Database (Denmark)

    van Kooten, Elishevah M.M.E.; Nagashima, Kazuhide; Kasama, Takeshi

    2017-01-01

    enrichments in 15N believed to be of outer Solar System origin. Using transmission electron microscopy (TEM-EELS) and in situ isotope analyses (SIMS and NanoSIMS), we report on the structure of the organic matter as well as the bulk H and N isotope composition of Isheyevo lithic clasts. These data...

  7. Rapid determination of some psychotropic drugs in complex matrices by tandem dispersive liquid-liquid microextraction followed by high performance liquid chromatography.

    Science.gov (United States)

    Asghari, Alireza; Fahimi, Ebrahim; Bazregar, Mohammad; Rajabi, Maryam; Boutorabi, Leila

    2017-05-01

    Simple and rapid determinations of some psychotropic drugs in some pharmaceutical wastewater and human plasma samples were successfully accomplished via the tandem dispersive liquid-liquid microextraction combined with high performance liquid chromatography-ultraviolet detection (TDLLME-HPLC-UV). TDLLME of the three psychotropic drugs clozapine, chlorpromazine, and thioridazine was easily performed through two consecutive dispersive liquid-liquid microextractions. By performing this convenient method, proper sample preconcentrations and clean-ups were achieved in just about 7min. In order to achieve the best extraction efficiency, the effective parameters involved were optimized. The optimal experimental conditions consisted of 100μL of CCl 4 (as the extraction organic solvent), and the pH values of 13 and 2 for the donor and acceptor phases, respectively. Under these optimum experimental conditions, the proposed TDLLME-HPLC-UV technique provided a good linearity in the range of 5-3000ngmL -1 for the three psychotropic drugs with the correlation of determinations (R 2 s) higher than 0.996. The limits of quantification (LOQs) and limits of detection (LODs) obtained were 5.0ngmL -1 and 1.0-1.5ngmL -1 , respectively. Also the proper enrichment factors (EFs) of 96, 99, and 88 for clozapine, chlorpromazine, and thioridazine, respectively, and good extraction repeatabilities (relative standard deviations below 9.3%, n=5) were obtained. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Matrices and linear algebra

    CERN Document Server

    Schneider, Hans

    1989-01-01

    Linear algebra is one of the central disciplines in mathematics. A student of pure mathematics must know linear algebra if he is to continue with modern algebra or functional analysis. Much of the mathematics now taught to engineers and physicists requires it.This well-known and highly regarded text makes the subject accessible to undergraduates with little mathematical experience. Written mainly for students in physics, engineering, economics, and other fields outside mathematics, the book gives the theory of matrices and applications to systems of linear equations, as well as many related t

  9. Intermittency and random matrices

    Science.gov (United States)

    Sokoloff, Dmitry; Illarionov, E. A.

    2015-08-01

    A spectacular phenomenon of intermittency, i.e. a progressive growth of higher statistical moments of a physical field excited by an instability in a random medium, attracted the attention of Zeldovich in the last years of his life. At that time, the mathematical aspects underlying the physical description of this phenomenon were still under development and relations between various findings in the field remained obscure. Contemporary results from the theory of the product of independent random matrices (the Furstenberg theory) allowed the elaboration of the phenomenon of intermittency in a systematic way. We consider applications of the Furstenberg theory to some problems in cosmology and dynamo theory.

  10. Dimension from covariance matrices.

    Science.gov (United States)

    Carroll, T L; Byers, J M

    2017-02-01

    We describe a method to estimate embedding dimension from a time series. This method includes an estimate of the probability that the dimension estimate is valid. Such validity estimates are not common in algorithms for calculating the properties of dynamical systems. The algorithm described here compares the eigenvalues of covariance matrices created from an embedded signal to the eigenvalues for a covariance matrix of a Gaussian random process with the same dimension and number of points. A statistical test gives the probability that the eigenvalues for the embedded signal did not come from the Gaussian random process.

  11. Organizations as complex systems an introduction to knowledge cybernetics

    CERN Document Server

    Yolles, Maurice

    2006-01-01

    Managing the Complex is an ambitious title - and it would be an audacious one if we were not to begin with a frank admission: to date few to none of us have a skill set which includes managing the complex. We try various things, we write about others, and we wonder about still others. When a tool, perspective, or technique comes along which seems to evoke success, we emulate it probe it and recoil at the all too often admission that it was situation and context which afforded success its opportunity, and not some quality intrinsic to the tool perspective or technique. Indeed, if the study of complexity has done anything for managers, and for those who espouse managerial theory, it is in providing a 'scientific foundation' for the notion that context matters. Those who preach abstract ideas have then to reconcile themselves to the notion that situation and embodiment matters. Those who believe in strong causality and determinism are left to wrestle with the role of chance, uncertainty, and chaos. Those who pre...

  12. Mergers and acquisitions in professional organizations: a complex adaptive systems approach.

    Science.gov (United States)

    Walls, M E; McDaniel, R R

    1999-09-01

    Nurse managers face unique challenges as they cope with mergers and acquisitions among health care organizations. These challenges can be better understood if it is recognized that health care institutions are professional organizations and that the transformations required are extremely difficult. These difficulties are caused, in part, by the institutionalized nature of professional organizations, and this nature is explicated. Professional organizations are stubborn. They are repositories of expertise and values that are societal in origin and difficult to change. When professional organizations are understood as complex adaptive systems, complexity theory offers insight that provide strategies for managing mergers and acquisitions that may not be apparent when more traditional conceptualizations of professional organizations are used. Specific managerial techniques consistent with both the institutionalized characteristics and the complex adaptive systems characteristics of professional organizations are offered to nurse managers.

  13. An Improved Conceptually-Based Method for Analysis of Communication Network Structure of Large Complex Organizations.

    Science.gov (United States)

    Richards, William D., Jr.

    Previous methods for determining the communication structure of organizations work well for small or simple organizations, but are either inadequate or unwieldy for use with large complex organizations. An improved method uses a number of different measures and a series of successive approximations to order the communication matrix such that…

  14. Homeland Security Organizations: Design Contingencies in Complex Environments

    Science.gov (United States)

    2011-09-01

    intelligence agencies did not anticipate the adaptation of al-Qaeda from a central command structure to the current collection of regional franchises ...suspicious activities by terrorist groups throughout the summer, culminating in the December explosion at the Great Western Forum sports venue in...Great Western Forum sports arena in Inglewood, California. The target of the attack was an event organized to honor military personnel who had served

  15. Information driven self-organization of complex robotic behaviors.

    Directory of Open Access Journals (Sweden)

    Georg Martius

    Full Text Available Information theory is a powerful tool to express principles to drive autonomous systems because it is domain invariant and allows for an intuitive interpretation. This paper studies the use of the predictive information (PI, also called excess entropy or effective measure complexity, of the sensorimotor process as a driving force to generate behavior. We study nonlinear and nonstationary systems and introduce the time-local predicting information (TiPI which allows us to derive exact results together with explicit update rules for the parameters of the controller in the dynamical systems framework. In this way the information principle, formulated at the level of behavior, is translated to the dynamics of the synapses. We underpin our results with a number of case studies with high-dimensional robotic systems. We show the spontaneous cooperativity in a complex physical system with decentralized control. Moreover, a jointly controlled humanoid robot develops a high behavioral variety depending on its physics and the environment it is dynamically embedded into. The behavior can be decomposed into a succession of low-dimensional modes that increasingly explore the behavior space. This is a promising way to avoid the curse of dimensionality which hinders learning systems to scale well.

  16. Complex forming properties of natural organic acids. Pt. 2

    International Nuclear Information System (INIS)

    Ephraim, J.H.; Mathuthu, A.S.; Marinsky, J.A.

    1990-07-01

    An ultrafiltration technique combined with ion-selective-electrode and atomic absorption methods have been employed to obtain information on the complex forming properties of fulvic acid with iron and calcium. A model for interpreting complexation of metal ions to fulvic acid at any pH, medium ionic strength and metal to fulvic acid ratio developed earlier has been used in an attempt to predict the nature of iron and calcium interaction to Armadale Horizon Bh fulvic acid. Binding of calcium to fulvic acid which is enhanced at pHs greater than 6.0 has reasonably been predicted by the model taking into consideration complications due to the polyelectrolyte nature and the heterogeneity of the fulvic acid. The lack of agreement observed between the model predicted binding behavior and the experimentally observed results for the fulvic acid-iron system has been attributed to the formation of metal-induced aggregation. Reduction of Fe(III) to Fe(II) by the fulvic acid as reported by other workers is corroborated. (orig.)

  17. Cellulose synthase complex organization and cellulose microfibril structure.

    Science.gov (United States)

    Turner, Simon; Kumar, Manoj

    2018-02-13

    Cellulose consists of linear chains of β-1,4-linked glucose units, which are synthesized by the cellulose synthase complex (CSC). In plants, these chains associate in an ordered manner to form the cellulose microfibrils. Both the CSC and the local environment in which the individual chains coalesce to form the cellulose microfibril determine the structure and the unique physical properties of the microfibril. There are several recent reviews that cover many aspects of cellulose biosynthesis, which include trafficking of the complex to the plasma membrane and the relationship between the movement of the CSC and the underlying cortical microtubules (Bringmann et al. 2012 Trends Plant Sci. 17 , 666-674 (doi:10.1016/j.tplants.2012.06.003); Kumar & Turner 2015 Phytochemistry 112 , 91-99 (doi:10.1016/j.phytochem.2014.07.009); Schneider et al. 2016 Curr. Opin. Plant Biol. 34 , 9-16 (doi:10.1016/j.pbi.2016.07.007)). In this review, we will focus on recent advances in cellulose biosynthesis in plants, with an emphasis on our current understanding of the structure of individual catalytic subunits together with the local membrane environment where cellulose synthesis occurs. We will attempt to relate this information to our current knowledge of the structure of the cellulose microfibril and propose a model in which variations in the structure of the CSC have important implications for the structure of the cellulose microfibril produced.This article is part of a discussion meeting issue 'New horizons for cellulose nanotechnology'. © 2017 The Author(s).

  18. Self-organization of complex networks as a dynamical system.

    Science.gov (United States)

    Aoki, Takaaki; Yawata, Koichiro; Aoyagi, Toshio

    2015-01-01

    To understand the dynamics of real-world networks, we investigate a mathematical model of the interplay between the dynamics of random walkers on a weighted network and the link weights driven by a resource carried by the walkers. Our numerical studies reveal that, under suitable conditions, the co-evolving dynamics lead to the emergence of stationary power-law distributions of the resource and link weights, while the resource quantity at each node ceaselessly changes with time. We analyze the network organization as a deterministic dynamical system and find that the system exhibits multistability, with numerous fixed points, limit cycles, and chaotic states. The chaotic behavior of the system leads to the continual changes in the microscopic network dynamics in the absence of any external random noises. We conclude that the intrinsic interplay between the states of the nodes and network reformation constitutes a major factor in the vicissitudes of real-world networks.

  19. Molecular organization and dynamics of micellar phase of polyelectrolyte-surfactant complexes: ESR spin probe study

    Science.gov (United States)

    Wasserman, A. M.; Kasaikin, V. A.; Zakharova, Yu. A.; Aliev, I. I.; Baranovsky, V. Yu.; Doseva, V.; Yasina, L. L.

    2002-04-01

    Molecular dynamics and organization of the micellar phase of complexes of linear polyelectrolytes with ionogenic and non-ionogenic surfactants was studied by the ESR spin probe method. Complexes of polyacrylic acid (PAA) and sodium polystyrenesulfonate (PSS) with alkyltrimethylammonium bromides (ATAB), as well as complexes of poly- N, N'-dimethyldiallylammonium chloride (PDACL) with sodium dodecylsulfate (SDS) were studied. The micellar phase of such complexes is highly organized molecular system, molecular ordering of which near the polymeric chain is much higher than in the 'center' of the micelle, it depends on the polymer-detergent interaction, flexibility of polymeric chain and length of carbonic part of the detergent molecule. Complexes of polymethacrylic acid (PMAA) with non-ionic detergent (dodecyl-substituted polyethyleneglycol), show that the local mobility of surfactant in such complexes is significantly lower than in 'free' micelles and depends on the number of micellar particles participating in formation of complexes.

  20. The use of solid sorbents for direct accumulation of organic compounds from water matrices : a review of solid-phase extraction techniques

    NARCIS (Netherlands)

    Liska, I.; Krupcik, J.; Leclercq, P.A.

    1989-01-01

    The main principles of solid-phase extraction techniques are reviewed in this paper. Various solid sorbents can be used as a suitable trap for direct accumulation of organic compounds from aqueous solutions. The trapped analytes can be desorbed by elution with suitably chosen liquid phases. These

  1. Generalisations of Fisher Matrices

    Directory of Open Access Journals (Sweden)

    Alan Heavens

    2016-06-01

    Full Text Available Fisher matrices play an important role in experimental design and in data analysis. Their primary role is to make predictions for the inference of model parameters—both their errors and covariances. In this short review, I outline a number of extensions to the simple Fisher matrix formalism, covering a number of recent developments in the field. These are: (a situations where the data (in the form of ( x , y pairs have errors in both x and y; (b modifications to parameter inference in the presence of systematic errors, or through fixing the values of some model parameters; (c Derivative Approximation for LIkelihoods (DALI - higher-order expansions of the likelihood surface, going beyond the Gaussian shape approximation; (d extensions of the Fisher-like formalism, to treat model selection problems with Bayesian evidence.

  2. Random volumes from matrices

    Energy Technology Data Exchange (ETDEWEB)

    Fukuma, Masafumi; Sugishita, Sotaro; Umeda, Naoya [Department of Physics, Kyoto University,Kitashirakawa Oiwake-cho, Kyoto 606-8502 (Japan)

    2015-07-17

    We propose a class of models which generate three-dimensional random volumes, where each configuration consists of triangles glued together along multiple hinges. The models have matrices as the dynamical variables and are characterized by semisimple associative algebras A. Although most of the diagrams represent configurations which are not manifolds, we show that the set of possible diagrams can be drastically reduced such that only (and all of the) three-dimensional manifolds with tetrahedral decompositions appear, by introducing a color structure and taking an appropriate large N limit. We examine the analytic properties when A is a matrix ring or a group ring, and show that the models with matrix ring have a novel strong-weak duality which interchanges the roles of triangles and hinges. We also give a brief comment on the relationship of our models with the colored tensor models.

  3. GENETIC FINGERPRINTING OF MYCOBACTERIUM AVIUM COMPLEX (MAC) ORGANISMS ISOLATED FROM HOSPITAL PATIENTS AND THE ENVIRONMENT

    Science.gov (United States)

    A particularly pathogenic group of mycobacteria belong to the Mycobacterium avium complex (MAC), which includes M. avium and M. intracellulare. MAC organisms cause disease in children, the elderly, and immuno-compromised individuals. A critical step in preventing MAC infections...

  4. Service quality and maturity of health care organizations through the lens of Complexity Leadership Theory.

    Science.gov (United States)

    Horvat, Ana; Filipovic, Jovan

    2018-02-01

    This research focuses on Complexity Leadership Theory and the relationship between leadership-examined through the lens of Complexity Leadership Theory-and organizational maturity as an indicator of the performance of health organizations. The research adopts a perspective that conceptualizes organizations as complex adaptive systems and draws upon a survey of opinion of 189 managers working in Serbian health organizations. As the results indicate a dependency between functions of leadership and levels of the maturity of health organizations, we propose a model that connects the two. The study broadens our understanding of the implications of complexity thinking and its reflection on leadership functions and overall organizational performance. The correlations between leadership functions and maturity could have practical applications in policy processing, thus improving the quality of outcomes and the overall level of service quality. © 2017 John Wiley & Sons, Ltd.

  5. Exploring Trianglamine Derivatives and Trianglamine Coordination Complexes as Porous Organic Materials

    KAUST Repository

    Eziashi, Magdalene

    2018-01-01

    , they are still a poorly researched class of macrocycles today. Trianglamines have yet a role to play as porous organic molecules for separation processes, as macrocyclic precursors to build increasingly complex supramolecular assemblies and as building blocks

  6. Diagonalization of the mass matrices

    International Nuclear Information System (INIS)

    Rhee, S.S.

    1984-01-01

    It is possible to make 20 types of 3x3 mass matrices which are hermitian. We have obtained unitary matrices which could diagonalize each mass matrix. Since the three elements of mass matrix can be expressed in terms of the three eigenvalues, msub(i), we can also express the unitary matrix in terms of msub(i). (Author)

  7. Enhancing Understanding of Transformation Matrices

    Science.gov (United States)

    Dick, Jonathan; Childrey, Maria

    2012-01-01

    With the Common Core State Standards' emphasis on transformations, teachers need a variety of approaches to increase student understanding. Teaching matrix transformations by focusing on row vectors gives students tools to create matrices to perform transformations. This empowerment opens many doors: Students are able to create the matrices for…

  8. Application of statistical physics approaches to complex organizations

    Science.gov (United States)

    Matia, Kaushik

    The first part of this thesis studies two different kinds of financial markets, namely, the stock market and the commodity market. Stock price fluctuations display certain scale-free statistical features that are not unlike those found in strongly-interacting physical systems. The possibility that new insights can be gained using concepts and methods developed to understand scale-free physical phenomena has stimulated considerable research activity in the physics community. In the first part of this thesis a comparative study of stocks and commodities is performed in terms of probability density function and correlations of stock price fluctuations. It is found that the probability density of the stock price fluctuation has a power law functional form with an exponent 3, which is similar across different markets around the world. We present an autoregressive model to explain the origin of the power law functional form of the probability density function of the price fluctuation. The first part also presents the discovery of unique features of the Indian economy, which we find displays a scale-dependent probability density function. In the second part of this thesis we quantify the statistical properties of fluctuations of complex systems like business firms and world scientific publications. We analyze class size of these systems mentioned above where units agglomerate to form classes. We find that the width of the probability density function of growth rate decays with the class size as a power law with an exponent beta which is universal in the sense that beta is independent of the system studied. We also identify two other scaling exponents, gamma connecting the unit size to the class size and gamma connecting the number of units to the class size, where products are units and firms are classes. Finally we propose a generalized preferential attachment model to describe the class size distribution. This model is successful in explaining the growth rate and class

  9. Hierarchical matrices algorithms and analysis

    CERN Document Server

    Hackbusch, Wolfgang

    2015-01-01

    This self-contained monograph presents matrix algorithms and their analysis. The new technique enables not only the solution of linear systems but also the approximation of matrix functions, e.g., the matrix exponential. Other applications include the solution of matrix equations, e.g., the Lyapunov or Riccati equation. The required mathematical background can be found in the appendix. The numerical treatment of fully populated large-scale matrices is usually rather costly. However, the technique of hierarchical matrices makes it possible to store matrices and to perform matrix operations approximately with almost linear cost and a controllable degree of approximation error. For important classes of matrices, the computational cost increases only logarithmically with the approximation error. The operations provided include the matrix inversion and LU decomposition. Since large-scale linear algebra problems are standard in scientific computing, the subject of hierarchical matrices is of interest to scientists ...

  10. Intrinsic character of Stokes matrices

    Science.gov (United States)

    Gagnon, Jean-François; Rousseau, Christiane

    2017-02-01

    Two germs of linear analytic differential systems x k + 1Y‧ = A (x) Y with a non-resonant irregular singularity are analytically equivalent if and only if they have the same eigenvalues and equivalent collections of Stokes matrices. The Stokes matrices are the transition matrices between sectors on which the system is analytically equivalent to its formal normal form. Each sector contains exactly one separating ray for each pair of eigenvalues. A rotation in S allows supposing that R+ lies in the intersection of two sectors. Reordering of the coordinates of Y allows ordering the real parts of the eigenvalues, thus yielding triangular Stokes matrices. However, the choice of the rotation in x is not canonical. In this paper we establish how the collection of Stokes matrices depends on this rotation, and hence on a chosen order of the projection of the eigenvalues on a line through the origin.

  11. Molecular Speciation of Trace Metal Organic Complexes in the Pacific Ocean

    Science.gov (United States)

    Repeta, D.; Boiteau, R. M.; Bundy, R. M.; Babcock-Adams, L.

    2017-12-01

    Microbial production across approximately one third of the surface ocean is limited by extraordinarily low (picomolar) concentrations of dissolved iron, essentially all of which is complexed to strong organic ligands of unknown composition. Other biologically important trace metals (cobalt, copper, zinc, nickel) are also complexed to strong organic ligands, which again have not been extensively characterized. Nevertheless, organic ligands exert a strong influence on metal bioavailability and toxicity. For example, amendment experiments using commercially available siderophores, organic compounds synthesized by microbes to facilitate iron uptake, show these ligands can both facilitate or impede iron uptake depending on the siderophore composition and available uptake pathways. Over the past few years we have developed analytical techniques using high pressure liquid chromatography interfaced with inductively coupled plasma and electrospray ionization mass spectrometry to identify and quantify trace metal organic complexes in laboratory cultures of marine microbes and in seawater. We found siderophores to be widely distributed in the ocean, particularly in regions characterized by low iron concentrations. We also find chemically distinct complexes of copper, zinc, colbalt and nickel that we have yet to fully characterize. We will discuss some of our recent work on trace metal organic speciation in seawater and laboratory cultures, and outline future efforts to better understand the microbial cycling of trace metal organic complexes in the sea.

  12. Complexation with dissolved organic matter and solubility control of heavy metals in sandy soil

    NARCIS (Netherlands)

    Weng, L.; Temminghoff, E.J.M.; Lofts, S.; Tipping, E.; Riemsdijk, van W.H.

    2002-01-01

    The complexation of heavy metals with dissolved organic matter (DOM) in the environment influences the solubility and mobility of these metals. In this paper, we measured the complexation of Cu, Cd, Zn, Ni, and Pb with DOM in the soil solution at pH 3.7-6.1 using a Donnan membrane technique. The

  13. Quantum Algorithms for Weighing Matrices and Quadratic Residues

    OpenAIRE

    van Dam, Wim

    2000-01-01

    In this article we investigate how we can employ the structure of combinatorial objects like Hadamard matrices and weighing matrices to device new quantum algorithms. We show how the properties of a weighing matrix can be used to construct a problem for which the quantum query complexity is ignificantly lower than the classical one. It is pointed out that this scheme captures both Bernstein & Vazirani's inner-product protocol, as well as Grover's search algorithm. In the second part of the ar...

  14. Plants lacking the main light-harvesting complex retain photosystem II macro-organization

    OpenAIRE

    Ruban, AV; Wentworth, M; Yakushevska, AE; Andersson, J; Lee, PJ; Keegstra, W; Dekker, JP; Boekema, EJ; Jansson, S; Horton, P

    2003-01-01

    Photosystem II (PSII) is a key component of photosynthesis, the process of converting sunlight into the chemical energy of life. In plant cells, it forms a unique oligomeric macrostructure in membranes of the chloroplasts(1). Several light-harvesting antenna complexes are organized precisely in the PSII macrostructure-the major trimeric complexes (LHCII)(2) that bind 70% of PSII chlorophyll and three minor monomeric complexes(3)-which together form PSII supercomplexes(4-6). The antenna comple...

  15. Linking aboveground net primary productivity to soil carbon and dissolved organic carbon in complex terrain

    Science.gov (United States)

    F.S. Peterson; K. Lajtha

    2013-01-01

    Factors influencing soil organic matter (SOM) stabilization and dissolved organic carbon (DOC) content in complex terrain, where vegetation, climate, and topography vary over the scale of a few meters, are not well understood. We examined the spatial correlations of lidar and geographic information system-derived landscape topography, empirically measured soil...

  16. Complexity of matrix organization and problems caused by its inadequate implementation

    Directory of Open Access Journals (Sweden)

    Janićijević Nebojša

    2007-01-01

    Full Text Available Matrix organization model is a sophisticated structure intended to combine both the efficiency and effectiveness of the functional and the product/service/customer/area dimensions. From the moment it was introduced in practice, this organizational architecture was accepted with enthusiasm, because it represented a complex organizational response adequate to the conditions which most of the companies in the world have been facing since 1970s. Although matrix organization is not a novelty, it is still a controversial model of organization design. The aim of this paper is to provide a deeper insight into the causes and effects of organizational misfits which appear in the implementation phase of three-dimensional matrix organization, as well as to offer some practical recommendations for managers on how to improve their capacities for successful management of complex matrix organization architecture in their organizations.

  17. Tritium metrology within different media: focus on organically bound tritium (OBT); Metrologie du tritium dans differentes matrices: cas du tritium organiquement lie (TOL)

    Energy Technology Data Exchange (ETDEWEB)

    Baglan, N. [CEA Bruyeres-le-Chatel, DIF, 91 (France); Ansoborlo, E. [CEA Marcoule, DEN/DRCP/CETAMA, 30 (France); Cossonnet, C. [IRSN, DEI/STEME/LMRE, 91 - Orsay (France); Fouhal, L. [CEA Cadarache, DEN/D2S/LANSE, 13 - Saint-Paul-lez-Durance (France); Deniau, I.; Mokili, M. [SUBATECH/IN2P3/CNRS, 44 - Nantes (France); Henry, A. [AREVA-NC/DQSSE/PR - La Hague, 50 - Beaumont-Hague, (France); Fourre, E. [CEA Saclay, DSM/DRECAM/LSCE, 91 - Gif-sur-Yvette (France); Olivier, A. [GEA-Marine nationale, 50 - Cherbourg (France)

    2010-07-15

    The measurement of tritium in its various forms (mainly gas (HT), water (HTO) or solid (hydrides)), is an important key step for evaluating health and environmental risks and finally, dosimetry assessment. In vegetable or animal samples, tritium is often associated with the free water fraction, but may be included in the organic form as organically bound tritium (OBT). In this case, 2 forms exist: (i) a fraction called exchangeable or labile (E-OBT), bound to oxygen and nitrogen atoms, and (ii) a so-called non-exchangeable fraction (NE-OBT) bound to carbon atoms. The main technique for tritium analysis is liquid scintillation, which enables one to measure concentrations in the range of several Bq.L{sup -1}. The standards (AFNOR, ISO) published to date relate only to tritium analysis in water. Only one CETAMA method addresses OBT analysis in biological environments. This method has been tested since 2001 through intercomparison circuits on grass samples collected from the environment. Regarding tritium analysis in water, the strengths are reliability of this analysis at low concentrations (order of Bq.L{sup -1}), robustness and simplicity, and weaknesses are linked to problems of background, conservation and contamination of samples. Concerning OBT analysis, the analysis is reliable for values around 50 Bq.kg{sup -1} of fresh sample. The weaknesses are problems of contamination, reproducibility, analysis time (2 to 6 days) and lack of reference materials. The difficulty to date is the separation between E-OBT and NE-OBT, that will need experimental validation. (authors)

  18. The animal sensorimotor organization: a challenge for the environmental complexity thesis.

    Science.gov (United States)

    Keijzer, Fred; Arnellos, Argyris

    2017-01-01

    Godfrey-Smith's environmental complexity thesis (ECT) is most often applied to multicellular animals and the complexity of their macroscopic environments to explain how cognition evolved. We think that the ECT may be less suited to explain the origins of the animal bodily organization, including this organization's potentiality for dealing with complex macroscopic environments. We argue that acquiring the fundamental sensorimotor features of the animal body may be better explained as a consequence of dealing with internal bodily-rather than environmental complexity. To press and elucidate this option, we develop the notion of an animal sensorimotor organization (ASMO) that derives from an internal coordination account for the evolution of early nervous systems. The ASMO notion is a reply to the question how a collection of single cells can become integrated such that the resulting multicellular organization becomes sensitive to and can manipulate macroscopic features of both the animal body and its environment. In this account, epithelial contractile tissues play the central role in the organization behind complex animal bodies. In this paper, we relate the ASMO concept to recent work on epithelia, which provides empirical evidence that supports central assumptions behind the ASMO notion. Second, we discuss to what extent the notion applies to basic animal architectures, exemplified by sponges and jellyfish. We conclude that the features exhibited by the ASMO are plausibly explained by internal constraints acting on and within this multicellular organization, providing a challenge for the role the ECT plays in this context.

  19. Self-organization in Complex Systems The Past, Present, and Future of Synergetics : International Symposium

    CERN Document Server

    Pelster, Axel

    2016-01-01

    This proceedings volume contains talks and poster presentations from the International Symposium "Self-Organization in Complex Systems: The Past, Present, and Future of Synergetics", which took place at Hanse-Wissenschaftskolleg, an Institute of Advanced Studies, in Delmenhorst, Germany, during the period November 13 - 16, 2012. The Symposium was organized in honour of Hermann Haken, who celebrated his 85th birthday in 2012. With his fundamental theory of Synergetics he had laid the mathematical-physical basis for describing and analyzing self-organization processes in a diversity of fields of research. The quest for common and universal principles of self-organization in complex systems was clearly covered by the wide range of interdisciplinary topics reported during the Symposium. These extended from complexity in classical systems and quantum systems over self-organisation in neuroscience even to the physics of finance. Moreover, by combining a historical view with a present status report the Symposium con...

  20. Introduction to random matrices theory and practice

    CERN Document Server

    Livan, Giacomo; Vivo, Pierpaolo

    2018-01-01

    Modern developments of Random Matrix Theory as well as pedagogical approaches to the standard core of the discipline are surprisingly hard to find in a well-organized, readable and user-friendly fashion. This slim and agile book, written in a pedagogical and hands-on style, without sacrificing formal rigor fills this gap. It brings Ph.D. students in Physics, as well as more senior practitioners, through the standard tools and results on random matrices, with an eye on most recent developments that are not usually covered in introductory texts. The focus is mainly on random matrices with real spectrum. The main guiding threads throughout the book are the Gaussian Ensembles. In particular, Wigner’s semicircle law is derived multiple times to illustrate several techniques  (e.g., Coulomb gas approach, replica theory). Most chapters are accompanied by Matlab codes (stored in an online repository) to guide readers through the numerical check of most analytical results.

  1. Special matrices of mathematical physics stochastic, circulant and Bell matrices

    CERN Document Server

    Aldrovandi, R

    2001-01-01

    This book expounds three special kinds of matrices that are of physical interest, centering on physical examples. Stochastic matrices describe dynamical systems of many different types, involving (or not) phenomena like transience, dissipation, ergodicity, nonequilibrium, and hypersensitivity to initial conditions. The main characteristic is growth by agglomeration, as in glass formation. Circulants are the building blocks of elementary Fourier analysis and provide a natural gateway to quantum mechanics and noncommutative geometry. Bell polynomials offer closed expressions for many formulas co

  2. Effect of organic complexants on the mobility of low-level-waste radionuclides in soils

    International Nuclear Information System (INIS)

    Swanson, J.L.

    1982-02-01

    The effect of certain organic complexants on the distribution of some radionuclides between solution and soil has been measured. The complexants and radionuclides examined are some of those most likely to be present in low-level waste disposal sites; Cs, Sr, Ni, Co, and Eu radionuclides, and EDTA, DTPA, oxalate, and citrate complexants. The effect of complexants was found to vary widely; in some systems there was no effect and in other systems there were large effects. In some cases slow rates of reaction have not allowed equilibrium measurements to be made

  3. Prediction of extraction ability during metal complexing with organic phosphorus extractants

    International Nuclear Information System (INIS)

    Rozen, A.M.; Krupnov, B.V.

    1995-01-01

    Quantum-chemical calculations of thermodynamic parameters of complexing of neutral organic phosphorus compounds (phosphates, phosphine oxides and diphosphine dioxides with different substituents) with seven acceptors of different strength have been made. It is shown that in a wide range of the complexes strength change the entropy contribution of the Gibbs energy of complexing depends but slightly both on the ligand basicity and on the acceptor nature. It is ascertained that this reaction series is isoentropic for any Lewis acid. Practicability of the previously used correlation between extractability and complexing enthalpy has been proved. 17 refs., 1 fig., 1 tab

  4. On Trace Zero Matrices

    Indian Academy of Sciences (India)

    (b) The numerical range of a bounded linear op- erator T on a complex Hilbert space 1i, which is defined by .... Let us see how this 'algebra-geometry' nexus goes. The correspondence. =Z. (4) sets up an identification ..... We wish to discuss elementary proofs of the following three well-known results: (A) A square complex ...

  5. [Characterizing chromophoric dissolved organic matter (CDOM) in Lake Honghu, Lake Donghu and Lake Liangzihu using excitation-emission matrices (EEMs) fluorescence and parallel factor analysis (PARAFAC)].

    Science.gov (United States)

    Zhou, Yong-Qiang; Zhang, Yun-Lin; Niu, Cheng; Wang, Ming-Zhu

    2013-12-01

    Little is known about DOM characteristics in medium to large sized lakes located in the middle and lower reaches of Yangtze River, like Lake Honghu, Lake Donghu and Lake Liangzihu. Absorption, fluorescence and composition characteristics of chromophoric dissolved organic matter (CDOM) are presented using the absorption spectroscopy, the excitation-emission ma trices (EEMs) fluorescence and parallel factor analysis (PARAFAC) model based on the data collected in Sep-Oct. 2007 including 15, 9 and 10 samplings in Lake Honghu, Lake Donghu and Lake Liangzihu, respectively. CDOM absorption coefficient at 350 nm a(350) coefficient in Lake Honghu was significantly higher than those in Lake Donghu and Lake Liangzihu (t-test, pCDOM spectral slope in the wavelength range of 280-500 nm (S280-500) and a(350) (R2 =0. 781, p<0. 001). The mean value of S280-500 in Lake Honghu was significantly lower than those in Lake Donghu (t-test, p

  6. Understanding Complexity and Self-Organization in a Defense Program Management Organization (Experimental Design)

    Science.gov (United States)

    2016-03-18

    initiatives such as the Packard Commission study, Goldwater-Nichols Legislation, and more recently, the Better Buying Power initiative. While the DoD...potential communications pathways in an organizational structure) Self-Organizing Network Behavior The nodes in the network are specific individuals... behavior pattern impacts of changing predetermined independent variables  Phase 4: Refined hypothesis testing to examine how decision and

  7. The invariant theory of matrices

    CERN Document Server

    Concini, Corrado De

    2017-01-01

    This book gives a unified, complete, and self-contained exposition of the main algebraic theorems of invariant theory for matrices in a characteristic free approach. More precisely, it contains the description of polynomial functions in several variables on the set of m\\times m matrices with coefficients in an infinite field or even the ring of integers, invariant under simultaneous conjugation. Following Hermann Weyl's classical approach, the ring of invariants is described by formulating and proving the first fundamental theorem that describes a set of generators in the ring of invariants, and the second fundamental theorem that describes relations between these generators. The authors study both the case of matrices over a field of characteristic 0 and the case of matrices over a field of positive characteristic. While the case of characteristic 0 can be treated following a classical approach, the case of positive characteristic (developed by Donkin and Zubkov) is much harder. A presentation of this case...

  8. Quantum matrices in two dimensions

    International Nuclear Information System (INIS)

    Ewen, H.; Ogievetsky, O.; Wess, J.

    1991-01-01

    Quantum matrices in two-dimensions, admitting left and right quantum spaces, are classified: they fall into two families, the 2-parametric family GL p,q (2) and a 1-parametric family GL α J (2). Phenomena previously found for GL p,q (2) hold in this general situation: (a) powers of quantum matrices are again quantum and (b) entries of the logarithm of a two-dimensional quantum matrix form a Lie algebra. (orig.)

  9. Equiangular tight frames and unistochastic matrices

    International Nuclear Information System (INIS)

    Goyeneche, Dardo; Turek, Ondřej

    2017-01-01

    We demonstrate that a complex equiangular tight frame composed of N vectors in dimension d , denoted ETF ( d , N ), exists if and only if a certain bistochastic matrix, univocally determined by N and d , belongs to a special class of unistochastic matrices. This connection allows us to find new complex ETFs in infinitely many dimensions and to derive a method to introduce non-trivial free parameters in ETFs. We present an explicit six-parametric family of complex ETF(6,16), which defines a family of symmetric POVMs. Minimal and maximal possible average entanglement of the vectors within this qubit–qutrit family are described. Furthermore, we propose an efficient numerical procedure to compute the unitary matrix underlying a unistochastic matrix, which we apply to find all existing classes of complex ETFs containing up to 20 vectors. (paper)

  10. Effect of moisture on disintegration kinetics during anaerobic digestion of complex organic substrates.

    Science.gov (United States)

    Liotta, Flavia; d'Antonio, Giuseppe; Esposito, Giovanni; Fabbricino, Massimiliano; Frunzo, Luigi; van Hullebusch, Eric D; Lens, Piet N L; Pirozzi, Francesco

    2014-01-01

    The role of the moisture content and particle size (PS) on the disintegration of complex organic matter during the wet anaerobic digestion (AD) process was investigated. A range of total solids (TS) from 5% to 11.3% and PS from 0.25 to 15 mm was evaluated using carrot waste as model complex organic matter. The experimental results showed that the methane production rate decreased with higher TS and PS. A modified version of the AD model no.1 for complex organic substrates was used to model the experimental data. The simulations showed a decrease of the disintegration rate constants with increasing TS and PS. The results of the biomethanation tests were used to calibrate and validate the applied model. In particular, the values of the disintegration constant for various TS and PS were determined. The simulations showed good agreement between the numerical and observed data.

  11. The speciation, stability, solubility and biodegradation of organic co-contaminant radionuclide complexes: A review

    International Nuclear Information System (INIS)

    Keith-Roach, Miranda J.

    2008-01-01

    The potential migration of radionuclides is of concern at contaminated land sites and, in the long term, waste repositories. Pathways of migration need to be characterised on a predictive level so that management decisions can be made with confidence. A pathway that is relatively poorly understood at present is radionuclide solubilisation due to complexation by organic complexing agents that are present in mixed radioactive wastes, and at radioactively contaminated land sites. Interactions of the complexing agents with radionuclides and the host environment, and the response to changes in the physicochemical conditions make their role far from simple to elucidate. In addition, chemical and biodegradation of the organic materials may be important. In this paper, key co-contaminant organics are reviewed with emphasis on their environmental fate and impact on radionuclide migration

  12. The speciation, stability, solubility and biodegradation of organic co-contaminant radionuclide complexes: A review

    Energy Technology Data Exchange (ETDEWEB)

    Keith-Roach, Miranda J. [Biogeochemistry and Environmental Analytical Chemistry Group/Consolidated Radio-isotope Facility, School of Earth, Ocean and Environmental Sciences, University of Plymouth, Drake Circus, Plymouth PL4 8AA (United Kingdom)], E-mail: mkeith-roach@plymouth.ac.uk

    2008-06-15

    The potential migration of radionuclides is of concern at contaminated land sites and, in the long term, waste repositories. Pathways of migration need to be characterised on a predictive level so that management decisions can be made with confidence. A pathway that is relatively poorly understood at present is radionuclide solubilisation due to complexation by organic complexing agents that are present in mixed radioactive wastes, and at radioactively contaminated land sites. Interactions of the complexing agents with radionuclides and the host environment, and the response to changes in the physicochemical conditions make their role far from simple to elucidate. In addition, chemical and biodegradation of the organic materials may be important. In this paper, key co-contaminant organics are reviewed with emphasis on their environmental fate and impact on radionuclide migration.

  13. Preparation of Some Novel Copper(I) Complexes and their Molar Conductances in Organic Solvents

    Science.gov (United States)

    Gill, Dip Singh; Rana, Dilbag

    2009-04-01

    Attempts have been made to prepare some novel copper(I) nitrate, sulfate, and perchlorate complexes. Molar conductances of these complexes have been measured in organic solvents like acetonitrile (AN), acetone (AC), methanol (MeOH), N,N-dimethylformamide (DMF), N,Ndimethylacetamide (DMA), and dimethylsulfoxide (DMSO) at 298 K. The molar conductance data have been analyzed to obtain limiting molar conductances (λ0) and ion association constants (KA) of the electrolytes. The results showed that all these complexes are strong electrolytes in all organic solvents. The limiting ionic molar conductances (λo± ) for various ions have been calculated using Bu4NBPh4 as reference electrolyte. The actual radii for copper(I) complex ions are very large and different in different solvents and indicate some solvation effects in each solvent system

  14. Positronium Inhibition and Quenching by Organic Electron Acceptors and Charge Transfer Complexes

    DEFF Research Database (Denmark)

    Jansen, P.; Eldrup, Morten Mostgaard; Jensen, Bror Skytte

    1975-01-01

    Positron lifetime measurements were performed on a series of organic electron acceptors and charge-transfer complexes in solution. The acceptors cause both positronium (Ps) inhibition (with maybe one exception) and quenching, but when an acceptor takes part in a charge-transfer complex...... in terms of the spur reaction model of Ps formation. Correlation was also made to gas phase reaction between electron acceptors and free electron, as well as to pulse radiolysis data....

  15. Designer matrices for intestinal stem cell and organoid culture

    NARCIS (Netherlands)

    Gjorevski, Nikolce; Sachs, Norman; Manfrin, Andrea; Giger, Sonja; Bragina, Maiia E.; Ordóñez-Morán, Paloma; Clevers, Hans; Lutolf, Matthias P.

    2016-01-01

    Epithelial organoids recapitulate multiple aspects of real organs, making them promising models of organ development, function and disease. However, the full potential of organoids in research and therapy has remained unrealized, owing to the poorly defined animal-derived matrices in which they are

  16. Manin matrices and Talalaev's formula

    International Nuclear Information System (INIS)

    Chervov, A; Falqui, G

    2008-01-01

    In this paper we study properties of Lax and transfer matrices associated with quantum integrable systems. Our point of view stems from the fact that their elements satisfy special commutation properties, considered by Yu I Manin some 20 years ago at the beginning of quantum group theory. These are the commutation properties of matrix elements of linear homomorphisms between polynomial rings; more explicitly these read: (1) elements of the same column commute; (2) commutators of the cross terms are equal: [M ij , M kl ] [M kj , M il ] (e.g. [M 11 , M 22 ] = [M 21 , M 12 ]). The main aim of this paper is twofold: on the one hand we observe and prove that such matrices (which we call Manin matrices in short) behave almost as well as matrices with commutative elements. Namely, the theorems of linear algebra (e.g., a natural definition of the determinant, the Cayley-Hamilton theorem, the Newton identities and so on and so forth) have a straightforward counterpart in the case of Manin matrices. On the other hand, we remark that such matrices are somewhat ubiquitous in the theory of quantum integrability. For instance, Manin matrices (and their q-analogs) include matrices satisfying the Yang-Baxter relation 'RTT=TTR' and the so-called Cartier-Foata matrices. Also, they enter Talalaev's remarkable formulae: det(∂ z -L gaudin (z)), det(1-e -∂z T Yangian (z)) for the 'quantum spectral curve', and appear in the separation of variables problem and Capelli identities. We show that theorems of linear algebra, after being established for such matrices, have various applications to quantum integrable systems and Lie algebras, e.g. in the construction of new generators in Z(U crit (gl-hat n )) (and, in general, in the construction of quantum conservation laws), in the Knizhnik-Zamolodchikov equation, and in the problem of Wick ordering. We propose, in the appendix, a construction of quantum separated variables for the XXX-Heisenberg system

  17. Free Energy Rate Density and Self-organization in Complex Systems

    OpenAIRE

    Georgiev, Georgi Yordanov; Gombos, Erin; Bates, Timothy; Henry, Kaitlin; Casey, Alexander; Daly, Michael

    2015-01-01

    One of the most important tasks in science is to understand the self-organization's arrow of time. To attempt this we utilize the connection between self-organization and non-equilibrium thermodynamics. Eric Chaisson calculated an exponential increase of Free Energy Rate Density (FERD) in Cosmic Evolution, from the Big Bang until now, paralleling the increase of system's structure. We term these studies "Devology". We connect FERD to the principle of least action for complex systems, driving ...

  18. Effect of atmospheric organic complexation on iron-bearing dust solubility

    OpenAIRE

    Paris , R.; Desboeufs , K. V.

    2013-01-01

    International audience; Recent studies reported that the effect of organic complexation may be a potentially important process to be considered by models estimating atmospheric iron flux to the ocean. In this study, we investigated this process effect by a series of dissolution experiments on iron-bearing dust in the presence or the absence of various organic compounds (acetate, formate, oxalate, malonate, succinate, glutarate, glycolate, lactate, tartrate and humic acid as an analogue of hum...

  19. Effect of atmospheric organic complexation on iron-bearing dust solubility

    Directory of Open Access Journals (Sweden)

    R. Paris

    2013-05-01

    Full Text Available Recent studies reported that the effect of organic complexation may be a potentially important process to be considered by models estimating atmospheric iron flux to the ocean. In this study, we investigated this process effect by a series of dissolution experiments on iron-bearing dust in the presence or the absence of various organic compounds (acetate, formate, oxalate, malonate, succinate, glutarate, glycolate, lactate, tartrate and humic acid as an analogue of humic like substances, HULIS typically found in atmospheric waters. Only 4 of tested organic ligands (oxalate, malonate, tartrate and humic acid caused an enhancement of iron solubility which was associated with an increase of dissolved Fe(II concentrations. For all of these organic ligands, a positive linear dependence of iron solubility to organic concentrations was observed and showed that the extent of organic complexation on iron solubility decreased in the following order: oxalate >malonate = tartrate > humic acid. This was attributed to the ability of electron donors of organic ligands and implies a reductive ligand-promoted dissolution. This study confirms that among the known atmospheric organic binding ligands of Fe, oxalate is the most effective ligand promoting dust iron solubility and showed, for the first time, the potential effect of HULIS on iron dissolution under atmospheric conditions.

  20. MOLECULAR COMPLEXES OF SULPHUR DIOXIDE WITH N,O-CONTAINING ORGANIC BASES (REVIEW

    Directory of Open Access Journals (Sweden)

    R. E. Khoma

    2016-10-01

    Full Text Available The literature data on the synthesis, stoichiometry, structure and relative stability of molecular  complexes of sulphur dioxide with N,O-containing organic bases have been systematized and  generalized. It was shown that the yield of the reaction product of sulfur dioxide with organic  bases (such as amines are strongly influenced by the conditions of synthesis: the nature of  the solvent (basicity, polarity, the temperature and SO2:L ratio in the reaction medium. The stoichiometry of SO2*nL molecular complexes depends on ligand denticity, as well as its  ability to H-bonding. The reaction of the sulfur oxide (IV with organic bases can give S←N and S←O complexes. With the increase of the value of base proton affinity the decrease ΔrSN values has been marked. Characteristic parameter Δr SN = r SN – a1(rS+ rN (where rSNis the S←N donor-acceptor bond length has been determined by microwave spectroscopy and X-ray analysis, rSand rNwere the tabulated values of the homopolar covalent radii of sulphur and nitrogen heteroatoms. The dependence of formation enthalpy of molecular complexes of basic amines and spectral characteristics has been noted; enthalpy-entropy compensation for S←N and S←O complex-es has been stated. Despite the limited experimental data on the thermodynamics of complex formation and the lengths of donor-acceptor bonds for the same compounds it has been found bond S←N strength in SO2 molecular complexes to depend on the intrinsic value of ΔrSN. The contribution of van der Waals forces and charge transfer forces to the formation of molecular complexes of sulphur dioxide has been stated.

  1. On reflectionless equi-transmitting matrices

    Directory of Open Access Journals (Sweden)

    Pavel Kurasov

    2014-01-01

    Full Text Available Reflectionless equi-transmitting unitary matrices are studied in connection to matching conditions in quantum graphs. All possible such matrices of size 6 are described explicitly. It is shown that such matrices form 30 six-parameter families intersected along 12 five-parameter families closely connected to conference matrices.

  2. Efficient organic light-emitting devices with platinum-complex emissive layer

    KAUST Repository

    Yang, Xiaohui

    2011-01-18

    We report efficient organic light-emitting devices having a platinum-complex emissive layer with the peak external quantum efficiency of 17.5% and power efficiency of 45 lm W−1. Variation in the device performance with platinum-complex layer thickness can be attributed to the interplay between carrier recombination and intermolecular interactions in the layer. Efficient white devices using double platinum-complex layers show the external quantum efficiency of 10%, the Commission Internationale d’Énclairage coordinates of (0.42, 0.41), and color rendering index of 84 at 1000 cd m−2.

  3. Efficient organic light-emitting devices with platinum-complex emissive layer

    KAUST Repository

    Yang, Xiaohui; Wu, Fang-Iy; Haverinen, Hanna; Li, Jian; Cheng, Chien-Hong; Jabbour, Ghassan E.

    2011-01-01

    We report efficient organic light-emitting devices having a platinum-complex emissive layer with the peak external quantum efficiency of 17.5% and power efficiency of 45 lm W−1. Variation in the device performance with platinum-complex layer thickness can be attributed to the interplay between carrier recombination and intermolecular interactions in the layer. Efficient white devices using double platinum-complex layers show the external quantum efficiency of 10%, the Commission Internationale d’Énclairage coordinates of (0.42, 0.41), and color rendering index of 84 at 1000 cd m−2.

  4. Oxidizing gel formulation for nuclear decontamination: rheological and acidic properties of the organic matrix and its ozonolysis; Formulation d'un gel oxydant a matrice organique applicable a la decontamination nucleaire: proprietes rheologiques, acido-basiques et ozonolyse de la matrice

    Energy Technology Data Exchange (ETDEWEB)

    Rouy, E

    2003-10-15

    An acidic and oxidizing gel was formulated with a purely organic matrix, xanthan gum, at low concentrations (1 to 2 wt %). This polymer gel was investigated in various media (aqueous, acidic and ceric) by means of rheology: shear thinning behaviour, thixotropy, yield stress... Evidences of unexpected rheological properties in highly concentrated media show that xanthan is quite convenient for industrial projection of this type of gel on metallic walls in nuclear plants, notwithstanding its time-limited resistance to oxidation (about a few hours). Complexation mechanisms between ceric species and polar sites of the polymer led us to characterise acidic properties of our xanthan sample by potentiometric titration and {sup 1}H NMR techniques. The matrix was finally treated by ozonolysis to suppress organic residues, as required to handle nuclear wastes. In acidic medium, ozonolysis of the gel was achieved successfully while in acidic and ceric medium this process showed limited efficiency, needing further investigation to be clarified. (author)

  5. Oxidizing gel formulation for nuclear decontamination: rheological and acidic properties of the organic matrix and its ozonolysis; Formulation d'un gel oxydant a matrice organique applicable a la decontamination nucleaire: proprietes rheologiques, acido-basiques et ozonolyse de la matrice

    Energy Technology Data Exchange (ETDEWEB)

    Rouy, E

    2003-10-15

    An acidic and oxidizing gel was formulated with a purely organic matrix, xanthan gum, at low concentrations (1 to 2 wt %). This polymer gel was investigated in various media (aqueous, acidic and ceric) by means of rheology: shear thinning behaviour, thixotropy, yield stress... Evidences of unexpected rheological properties in highly concentrated media show that xanthan is quite convenient for industrial projection of this type of gel on metallic walls in nuclear plants, notwithstanding its time-limited resistance to oxidation (about a few hours). Complexation mechanisms between ceric species and polar sites of the polymer led us to characterise acidic properties of our xanthan sample by potentiometric titration and {sup 1}H NMR techniques. The matrix was finally treated by ozonolysis to suppress organic residues, as required to handle nuclear wastes. In acidic medium, ozonolysis of the gel was achieved successfully while in acidic and ceric medium this process showed limited efficiency, needing further investigation to be clarified. (author)

  6. Exploring Trianglamine Derivatives and Trianglamine Coordination Complexes as Porous Organic Materials

    KAUST Repository

    Eziashi, Magdalene

    2018-05-01

    Trianglamines are triangular chiral macrocycles that were first synthesized by Gawronski’s group in Poland in the year 2000.1 Despite their unique properties; triangular pore shape, chirality, symmetric structure and tunable pore size, they are still a poorly researched class of macrocycles today. Trianglamines have yet a role to play as porous organic molecules for separation processes, as macrocyclic precursors to build increasingly complex supramolecular assemblies and as building blocks for caged porous organic structures. The aim of the Thesis work is to explore trianglamine, its derivatives, and assemblies as viable porous organic molecules for potential gas capture and separation.

  7. Leadership in project-based organizations: Dealing with complex and paradoxical demands

    NARCIS (Netherlands)

    Havermans, L.A.

    2014-01-01

    Despite the overwhelming amount of attention given by scientists and practitioners to leadership, most theories of leadership have been developed to explain the role of leadership in traditional line organizations, not to explain how leaders deal with complex and paradoxical demands in project-based

  8. Plants lacking the main light-harvesting complex retain photosystem II macro-organization

    NARCIS (Netherlands)

    Ruban, A.V.; Wentworth, M.; Yakushevska, A.E.; Andersson, J.; Lee, P.J.; Keegstra, W.; Dekker, J.P.; Boekema, E.J.; Jansson, S.; Horton, P.

    2003-01-01

    Photosystem II (PSII) is a key component of photosynthesis, the process of converting sunlight into the chemical energy of life. In plant cells, it forms a unique oligomeric macrostructure in membranes of the chloroplasts. Several light-harvesting antenna complexes are organized precisely in the

  9. Plants lacking the main light-harvesting complex retain photosystem II macro-organization

    NARCIS (Netherlands)

    Ruban, AV; Wentworth, M; Yakushevska, AE; Andersson, J; Lee, PJ; Keegstra, W; Dekker, JP; Boekema, EJ; Jansson, S; Horton, P

    2003-01-01

    Photosystem II (PSII) is a key component of photosynthesis, the process of converting sunlight into the chemical energy of life. In plant cells, it forms a unique oligomeric macrostructure in membranes of the chloroplasts(1). Several light-harvesting antenna complexes are organized precisely in the

  10. Expanding Evolutionary Theory beyond Darwinism with Elaborating, Self-Organizing, and Fractionating Complex Evolutionary Systems

    Science.gov (United States)

    Fichter, Lynn S.; Pyle, E. J.; Whitmeyer, S. J.

    2010-01-01

    Earth systems increase in complexity, diversity, and interconnectedness with time, driven by tectonic/solar energy that keeps the systems far from equilibrium. The evolution of Earth systems is facilitated by three evolutionary mechanisms: "elaboration," "fractionation," and "self-organization," that share…

  11. The organization of the Golgi complex and microtubules in skeletal muscle is fiber type-dependent

    DEFF Research Database (Denmark)

    Ralston, E; Lu, Z; Ploug, Thorkil

    1999-01-01

    Skeletal muscle has a nonconventional Golgi complex (GC), the organization of which has been a subject of controversy in the past. We have now examined the distribution of the GC by immunofluorescence and immunogold electron microscopy in whole fibers from different rat muscles, both innervated a...

  12. Spectra of sparse random matrices

    International Nuclear Information System (INIS)

    Kuehn, Reimer

    2008-01-01

    We compute the spectral density for ensembles of sparse symmetric random matrices using replica. Our formulation of the replica-symmetric ansatz shares the symmetries of that suggested in a seminal paper by Rodgers and Bray (symmetry with respect to permutation of replica and rotation symmetry in the space of replica), but uses a different representation in terms of superpositions of Gaussians. It gives rise to a pair of integral equations which can be solved by a stochastic population-dynamics algorithm. Remarkably our representation allows us to identify pure-point contributions to the spectral density related to the existence of normalizable eigenstates. Our approach is not restricted to matrices defined on graphs with Poissonian degree distribution. Matrices defined on regular random graphs or on scale-free graphs, are easily handled. We also look at matrices with row constraints such as discrete graph Laplacians. Our approach naturally allows us to unfold the total density of states into contributions coming from vertices of different local coordinations and an example of such an unfolding is presented. Our results are well corroborated by numerical diagonalization studies of large finite random matrices

  13. On Trace Zero Matrices

    Indian Academy of Sciences (India)

    In this note, we shall try to present an elemen- tary proof of a couple of closely related results which have both proved quite useful, and al~ indicate possible generalisations. The results we have in mind are the following facts: (a) A complex n x n matrix A has trace 0 if and only if it is expressible in the form A = PQ - Q P.

  14. The Concept of Information Sharing Behaviors in Complex Organizations: Research in Latvian Enterprises

    Directory of Open Access Journals (Sweden)

    Andrejs Cekuls

    2016-12-01

    Full Text Available The purpose of this paper is to explore the factors influencing behaviors of information sharing in complex organizations. Evaluation of the previous studies on provision of information turnover process and the role of organizational culture in competitive intelligence of business environment in Latvia indicated the trends that employees of Latvian enterprises lack incentive to share information. Tasks of the study were to research the basis of the review of scientific sources and study aspects influencing habits of information sharing in complex organizations. For this particular study, the focus group is selected as the most appropriate data collection method for high-quality research. To find out individuals' opinions and attitudes two focus group discussions were carried out. Members from various industries and with different employment period were included in discussion groups. In aggregate, opinions of the employees from 41 different companies were summarized regarding the aspects affecting the process of information sharing in organizations. Results of researches show that that influence the sharing of information are closely related to the values: interpersonal trust, organizational trust, and organizational identification, support, fairness etc. Results of discussions showed that it is important for a manager to be aware of the factors affecting the performance of the organization. To identify the need for changes, a manager should follow events in the environment and analyze the extent, to which they affect the performance of the organization. Complexity science suggests that maturity to changes emerges when the system is far from balance, but the tension makes to accept changes.

  15. Dynamics of anion exchange of lanthanides in aqueous-organic complexing media

    International Nuclear Information System (INIS)

    Sheveleva, I.V.; Bogatyrev, I.O.

    1987-01-01

    Effect of organic solvents (ethanol, acetone, acetonitrile) on change in kinetic parameters of the anion exchange process (anion-exchange column chromatography) of r.e.e. (europium and gadolinium) in complexing nitric acid media has been studied. It is established that complex LnA 4 anion is the only sorbing form of europium and gadolinium on anionite. When the organic component content of the solution being the same, the dynamic parameters of lanthanide exchange have higher values in aqueous-acetonitrile and aqueous-acetone media in comparison with aqueous-enthanol solutions of nitric acid. Lesser mobility of complex lanthanide anions in aqueous-alcoholic solutions can be explained by stronger solvation in the presence of solvents with higher acceptor properties

  16. Effect of organic complexing compounds and surfactants on coprecipitation of cesium radionuclides with nickel ferrocyanide precipitate

    International Nuclear Information System (INIS)

    Milyutin, V.V.; Gelis, V.M.; Ershov, B.G.; Seliverstov, A.F.

    2008-01-01

    One studied the effect of the organic complexing compounds and of the surfactants on the coprecipitation of Cs trace amounts with the nickel ferrocyanide precipitate. The presence of the oxalate- and ethylenediamin-tetraacetate-ions in the solutions is shown to result in the abrupt reduction of Cs coprecipitation degree. The effect of the various surfactants manifested itself not so explicitly. To reduce the negative effect of the organic compounds on the intimacy of Cs coprecipitation one tried out the procedure of their chemical destruction by ozon. Pre-ozonization of the solutions enabled to prevent the negative effect of the organic complexing compounds and of the surfactants on Cs coprecipitation with nickel ferrocyanide precipitate [ru

  17. Unique double concentric ring organization of light harvesting complexes in Gemmatimonas phototrophica.

    Directory of Open Access Journals (Sweden)

    Marko Dachev

    2017-12-01

    Full Text Available The majority of life on Earth depends directly or indirectly on the sun as a source of energy. The initial step of photosynthesis is facilitated by light-harvesting complexes, which capture and transfer light energy into the reaction centers (RCs. Here, we analyzed the organization of photosynthetic (PS complexes in the bacterium G. phototrophica, which so far is the only phototrophic representative of the bacterial phylum Gemmatimonadetes. The isolated complex has a molecular weight of about 800 ± 100 kDa, which is approximately 2 times larger than the core complex of Rhodospirillum rubrum. The complex contains 62.4 ± 4.7 bacteriochlorophyll (BChl a molecules absorbing in 2 distinct infrared absorption bands with maxima at 816 and 868 nm. Using femtosecond transient absorption spectroscopy, we determined the energy transfer time between these spectral bands as 2 ps. Single particle analyses of the purified complexes showed that they were circular structures with an outer diameter of approximately 18 nm and a thickness of 7 nm. Based on the obtained, we propose that the light-harvesting complexes in G. phototrophica form 2 concentric rings surrounding the type 2 RC. The inner ring (corresponding to the B868 absorption band is composed of 15 subunits and is analogous to the inner light-harvesting complex 1 (LH1 in purple bacteria. The outer ring is composed of 15 more distant BChl dimers with no or slow energy transfer between them, resulting in the B816 absorption band. This completely unique and elegant organization offers good structural stability, as well as high efficiency of light harvesting. Our results reveal that while the PS apparatus of Gemmatimonadetes was acquired via horizontal gene transfer from purple bacteria, it later evolved along its own pathway, devising a new arrangement of its light harvesting complexes.

  18. Free probability and random matrices

    CERN Document Server

    Mingo, James A

    2017-01-01

    This volume opens the world of free probability to a wide variety of readers. From its roots in the theory of operator algebras, free probability has intertwined with non-crossing partitions, random matrices, applications in wireless communications, representation theory of large groups, quantum groups, the invariant subspace problem, large deviations, subfactors, and beyond. This book puts a special emphasis on the relation of free probability to random matrices, but also touches upon the operator algebraic, combinatorial, and analytic aspects of the theory. The book serves as a combination textbook/research monograph, with self-contained chapters, exercises scattered throughout the text, and coverage of important ongoing progress of the theory. It will appeal to graduate students and all mathematicians interested in random matrices and free probability from the point of view of operator algebras, combinatorics, analytic functions, or applications in engineering and statistical physics.

  19. The development of quantitative determination method of organic acids in complex poly herbal extraction

    Directory of Open Access Journals (Sweden)

    I. L. Dyachok

    2016-08-01

    Full Text Available Aim. The development of sensible, economical and expressive method of quantitative determination of organic acids in complex poly herbal extraction counted on izovaleric acid with the use of digital technologies. Materials and methods. Model complex poly herbal extraction of sedative action was chosen as a research object. Extraction is composed of these medical plants: Valeriana officinalis L., Crataégus, Melissa officinalis L., Hypericum, Mentha piperita L., Húmulus lúpulus, Viburnum. Based on chemical composition of plant components, we consider that main pharmacologically active compounds, which can be found in complex poly herbal extraction are: polyphenolic substances (flavonoids, which are contained in Crataégus, Viburnum, Hypericum, Mentha piperita L., Húmulus lúpulus; also organic acids, including izovaleric acid, which are contained in Valeriana officinalis L., Mentha piperita L., Melissa officinalis L., Viburnum; the aminoacid are contained in Valeriana officinalis L. For the determination of organic acids content in low concentration we applied instrumental method of analysis, namely conductometry titration which consisted in the dependences of water solution conductivity of complex poly herbal extraction on composition of organic acids. Result. The got analytical dependences, which describes tangent lines to the conductometry curve before and after the point of equivalence, allow to determine the volume of solution expended on titration and carry out procedure of quantitative determination of organic acids in the digital mode. Conclusion. The proposed method enables to determine the point of equivalence and carry out quantitative determination of organic acids counted on izovaleric acid with the use of digital technologies, that allows to computerize the method on the whole.

  20. Looping and clustering model for the organization of protein-DNA complexes on the bacterial genome

    Science.gov (United States)

    Walter, Jean-Charles; Walliser, Nils-Ole; David, Gabriel; Dorignac, Jérôme; Geniet, Frédéric; Palmeri, John; Parmeggiani, Andrea; Wingreen, Ned S.; Broedersz, Chase P.

    2018-03-01

    The bacterial genome is organized by a variety of associated proteins inside a structure called the nucleoid. These proteins can form complexes on DNA that play a central role in various biological processes, including chromosome segregation. A prominent example is the large ParB-DNA complex, which forms an essential component of the segregation machinery in many bacteria. ChIP-Seq experiments show that ParB proteins localize around centromere-like parS sites on the DNA to which ParB binds specifically, and spreads from there over large sections of the chromosome. Recent theoretical and experimental studies suggest that DNA-bound ParB proteins can interact with each other to condense into a coherent 3D complex on the DNA. However, the structural organization of this protein-DNA complex remains unclear, and a predictive quantitative theory for the distribution of ParB proteins on DNA is lacking. Here, we propose the looping and clustering model, which employs a statistical physics approach to describe protein-DNA complexes. The looping and clustering model accounts for the extrusion of DNA loops from a cluster of interacting DNA-bound proteins that is organized around a single high-affinity binding site. Conceptually, the structure of the protein-DNA complex is determined by a competition between attractive protein interactions and loop closure entropy of this protein-DNA cluster on the one hand, and the positional entropy for placing loops within the cluster on the other. Indeed, we show that the protein interaction strength determines the ‘tightness’ of the loopy protein-DNA complex. Thus, our model provides a theoretical framework for quantitatively computing the binding profiles of ParB-like proteins around a cognate (parS) binding site.

  1. Exploring molecular complexity with ALMA (EMoCA): Deuterated complex organic molecules in Sagittarius B2(N2)

    Science.gov (United States)

    Belloche, A.; Müller, H. S. P.; Garrod, R. T.; Menten, K. M.

    2016-03-01

    Context. Deuteration is a powerful tracer of the history of the cold prestellar phase in star-forming regions. Apart from methanol, little is known about deuterium fractionation of complex organic molecules in the interstellar medium, especially in regions forming high-mass stars. Aims: Our goal is to detect deuterated complex organic molecules toward the high mass star-forming region Sagittarius B2 (Sgr B2) and derive the level of deuteration for these molecules. Methods: We use a complete 3-mm spectral line survey performed with the Atacama Large Millimeter/submillimeter Array (ALMA) to search for deuterated complex organic molecules toward the hot molecular core Sgr B2(N2). We constructed population diagrams and integrated intensity maps to fit rotational temperatures and emission sizes for each molecule. Column densities are derived by modeling the full spectrum under the assumption of local thermodynamic equilibrium. We compare the results to predictions of two astrochemical models that treat the deuteration process. Results: We report the detection of CH2DCN toward Sgr B2(N2) with a deuteration level of 0.4%, and tentative detections of CH2DOH, CH2DCH2CN, the chiral molecule CH3CHDCN, and DC3N with levels in the range 0.05%-0.12%. A stringent deuteration upper limit is obtained for CH3OD (cyanide, the four deuterated species of ethanol, and CH2DOCHO. Ethyl cyanide is less deuterated than methyl cyanide by at least a factor five. The [CH2DOH]/[CH3OD] abundance ratio is higher than 1.8. It may still be consistent with the value obtained in Orion KL. Except for methyl cyanide, the measured deuteration levels lie at least a factor four below the predictions of current astrochemical models. The deuteration levels in Sgr B2(N2) are also lower than in Orion KL by a factor of a few up to a factor ten. Conclusions: The discrepancy between the deuteration levels of Sgr B2(N2) and the predictions of chemical models, and the difference between Sgr B2(N2) and Orion KL may

  2. Cell type-specific characterization of nuclear DNA contents within complex tissues and organs

    Directory of Open Access Journals (Sweden)

    Lambert Georgina M

    2005-10-01

    Full Text Available Abstract Background Eukaryotic organisms are defined by the presence of a nucleus, which encloses the chromosomal DNA, and is characterized by its DNA content (C-value. Complex eukaryotic organisms contain organs and tissues that comprise interspersions of different cell types, within which polysomaty, endoreduplication, and cell cycle arrest is frequently observed. Little is known about the distribution of C-values across different cell types within these organs and tissues. Results We have developed, and describe here, a method to precisely define the C-value status within any specific cell type within complex organs and tissues of plants. We illustrate the application of this method to Arabidopsis thaliana, specifically focusing on the different cell types found within the root. Conclusion The method accurately and conveniently charts C-value within specific cell types, and provides novel insight into developmental processes. The method is, in principle, applicable to any transformable organism, including mammals, within which cell type specificity of regulation of endoreduplication, of polysomaty, and of cell cycle arrest is suspected.

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

    Science.gov (United States)

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

    2013-11-01

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

  4. Loop diagrams without γ matrices

    International Nuclear Information System (INIS)

    McKeon, D.G.C.; Rebhan, A.

    1993-01-01

    By using a quantum-mechanical path integral to compute matrix elements of the form left-angle x|exp(-iHt)|y right-angle, radiative corrections in quantum-field theory can be evaluated without encountering loop-momentum integrals. In this paper we demonstrate how Dirac γ matrices that occur in the proper-time ''Hamiltonian'' H lead to the introduction of a quantum-mechanical path integral corresponding to a superparticle analogous to one proposed recently by Fradkin and Gitman. Direct evaluation of this path integral circumvents many of the usual algebraic manipulations of γ matrices in the computation of quantum-field-theoretical Green's functions involving fermions

  5. Drosophila melanogaster--the model organism of choice for the complex biology of multi-cellular organisms

    Science.gov (United States)

    Beckingham, Kathleen M.; Armstrong, J. Douglas; Texada, Michael J.; Munjaal, Ravi; Baker, Dean A.

    2005-01-01

    Drosophila melanogaster has been intensely studied for almost 100 years. The sophisticated array of genetic and molecular tools that have evolved for analysis of gene function in this organism are unique. Further, Drosophila is a complex multi-cellular organism in which many aspects of development and behavior parallel those in human beings. These combined advantages have permitted research in Drosophila to make seminal contributions to the understanding of fundamental biological processes and ensure that Drosophila will continue to provide unique insights in the genomic era. An overview of the genetic methodologies available in Drosophila is given here, together with examples of outstanding recent contributions of Drosophila to our understanding of cell and organismal biology. The growing contribution of Drosophila to our knowledge of gravity-related responses is addressed.

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

    Science.gov (United States)

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

    2009-11-01

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

  7. Structure of diphosphine complexes of Co(II) in solutions of organic compounds

    International Nuclear Information System (INIS)

    Saraev, V.V.; Mandyuk, I.M.; Ratovskii, G.V.; Dmitrieva, T.V.; Shmidt, F.K.

    1987-01-01

    The structure of the dichloride complexes of cobalt(II) with 1,2-bis(diphenylphosphino)ethane (DPPE) and 1,1-bis(diphenylphosphino)methane (DPPM) in organic solvents has been investigated by ESR and electronic spectroscopy. It has been shown that the low-spin complex Co(DPPE) 2 Cl 2 exists in dichloroethane and ethanol solutions in the form of a trigonal bipyramid. Cobalt dichloride reacts with DPPM to form 1:1 and 1:2 complexes, between which there is an equilibrium in a dichloroethane solution. The equilibrium is displaced under the action of the free diphosphine toward the formation of the 1:2 complex. Elimination of the diphosphine from the coordination sphere of cobalt occurs in an ethanol solution

  8. The organization of LH2 complexes in membranes from Rhodobacter sphaeroides.

    Science.gov (United States)

    Olsen, John D; Tucker, Jaimey D; Timney, John A; Qian, Pu; Vassilev, Cvetelin; Hunter, C Neil

    2008-11-07

    The mapping of the photosynthetic membrane of Rhodobacter sphaeroides by atomic force microscopy (AFM) revealed a unique organization of arrays of dimeric reaction center-light harvesting I-PufX (RC-LH1-PufX) core complexes surrounded and interconnected by light-harvesting LH2 complexes (Bahatyrova, S., Frese, R. N., Siebert, C. A., Olsen, J. D., van der Werf, K. O., van Grondelle, R., Niederman, R. A., Bullough, P. A., Otto, C., and Hunter, C. N. (2004) Nature 430, 1058-1062). However, membrane regions consisting solely of LH2 complexes were under-represented in these images because these small, highly curved areas of membrane rendered them difficult to image even using gentle tapping mode AFM and impossible with contact mode AFM. We report AFM imaging of membranes prepared from a mutant of R. sphaeroides, DPF2G, that synthesizes only the LH2 complexes, which assembles spherical intracytoplasmic membrane vesicles of approximately 53 nm diameter in vivo. By opening these vesicles and adsorbing them onto mica to form small, LH2-only membranes for the first time. The transition from highly curved vesicle to the planar sheet is accompanied by a change in the packing of the LH2 complexes such that approximately half of the complexes are raised off the mica surface by approximately 1 nm relative to the rest. This vertical displacement produces a very regular corrugated appearance of the planar membrane sheets. Analysis of the topographs was used to measure the distances and angles between the complexes. These data are used to model the organization of LH2 complexes in the original, curved membrane. The implications of this architecture for the light harvesting function and diffusion of quinones in native membranes of R. sphaeroides are discussed.

  9. Preliminary investigation of phosphorus adsorption onto two types of iron oxide-organic matter complexes.

    Science.gov (United States)

    Yan, Jinlong; Jiang, Tao; Yao, Ying; Lu, Song; Wang, Qilei; Wei, Shiqiang

    2016-04-01

    Iron oxide (FeO) coated by natural organic matter (NOM) is ubiquitous. The associations of minerals with organic matter (OM) significantly changes their surface properties and reactivity, and thus affect the environmental fate of pollutants, including nutrients (e.g., phosphorus (P)). In this study, ferrihydrite/goethite-humic acid (FH/GE-HA) complexes were prepared and their adsorption characteristics on P at various pH and ionic strength were investigated. The results indicated that the FeO-OM complexes showed a decreased P adsorption capacity in comparison with bare FeO. The maximum adsorption capacity (Qmax) decreased in the order of FH (22.17 mg/g)>FH-HA (5.43 mg/g)>GE (4.67 mg/g)>GE-HA (3.27 mg/g). After coating with HA, the amorphous FH-HA complex still showed higher P adsorption than the crystalline GE-HA complex. The decreased P adsorption observed might be attributed to changes of the FeO surface charges caused by OM association. The dependence of P adsorption on the specific surface area of adsorbents suggests that the FeO component in the complexes is still the main contributor for the adsorption surfaces. The P adsorptions on FeO-HA complexes decreased with increasing initial pH or decreasing initial ionic strength. A strong dependence of P adsorption on ionic strength and pH may demonstrate that outer-sphere complexes between the OM component on the surface and P possibly coexist with inner-sphere surface complexes between the FeO component and P. Therefore, previous over-emphasis on the contributions of original minerals to P immobilization possibly over-estimates the P loading capacity of soils, especially in humic-rich areas. Copyright © 2015. Published by Elsevier B.V.

  10. The ecopoiesis as the basis for an environmental perspective to the administration, complex organization

    International Nuclear Information System (INIS)

    Arango Fernandez, Wilfer Ignacio

    2008-01-01

    Reality is not as simple as we would like. It is complex so that can't always be understood through simple rules. That's why the explorations of the science have catalyzed a profound reconceptualization of the universe. A wholly new way of seeing, thinking, knowing in the world has been introduced. The new perspective seeks to understand systems that change in ways not amenable to the linear vision. The organizations, most particularly the enterprise, are subject to the very same principles of the new science, and one major impact in applying the concepts of complexity is the way in which they are seen. In the X Xl century, companies will no longer be effectively managed by rigid and lineal objectives or perspectives. The state of chaos leads to creativity, innovations and self organisation?disorder, dissipation and change are the rules, no more the exceptions. This article proposes the understanding of organizations in terms of a holistic perception confronts the traditional visions and explores the relevance of the new paradigm in the field of the relation between organizations and environment. An overview of the significance of the change of perception is provided, followed by the way in which the theory (complexity, ecopoiesis, and dissipative structures, living organization) can be applied to the field of management

  11. Poly-functional description of metal complexation by natural organic matter: theory and practice

    International Nuclear Information System (INIS)

    Buffle, J.; Filella, M.; Altmann, R.S.

    1995-01-01

    The Differential Equilibrium Function (DEF) approach to metal complexation interpretation and prediction is compared to other models or approaches. The basic features of DEF are summarized, both from the experimental and theoretical points of view. The relation of DEF with key environmental concepts or parameters, in particular minor vs major complexing sites, the buffering intensity of natural organic matter (NOM), and their poly functional vs polyelectrolyte properties, is discussed. The relation between DEF and Freundlich isotherm is described quantitatively. The practical applications of DEF are discussed for (i) interpretation of metal complexation by NOM, and (ii) prediction of metal complexation by NOM. It is shown that DEF (i.e. sound extrapolation is possible with care). DEF cans be readily incorporated in metal species distribution codes (e.g. MINEQL). DEF is not equivalent to a molecular complexation model which describes complexation at each individual site; DEF gives a rigorous representation of complexation by NOM as a whole chemical system. (authors). 23 refs., 6 figs

  12. Metal complexation and monolayer self-assembly of the bio-organic semiconductor Alizarin

    Energy Technology Data Exchange (ETDEWEB)

    Uppal, Neeti [Dept. Earth and Environmental Sciences, Ludwig-Maximilians-Universitaet Muenchen (LMU) and Center for NanoSciences (CeNS), Muenchen (Germany); Institut fuer Physik, Universitaet Augsburg (Germany); Gast, Norbert [Dept. Earth and Environmental Sciences, Ludwig-Maximilians-Universitaet Muenchen (LMU) and Center for NanoSciences (CeNS), Muenchen (Germany); Zentrum Neue Technologien, Deutsches Museum, Muenchen (Germany); Bueno, Martin [Fakultaet Feinwerk- und Mikrotechnik, Physikalische Technik, Hochschule Muenchen (Germany); Heckl, Wolfgang M. [Dept. of Physics, Technische Universitaet Muenchen (TUM), Garching (Germany); Zentrum Neue Technologien, Deutsches Museum, Muenchen (Germany); Trixler, Frank [Dept. Earth and Environmental Sciences, Ludwig-Maximilians-Universitaet Muenchen (LMU) and Center for NanoSciences (CeNS), Muenchen (Germany); Dept. of Physics, Technische Universitaet Muenchen (TUM), Garching (Germany); Zentrum Neue Technologien, Deutsches Museum, Muenchen (Germany)

    2010-07-01

    Organic Solid/Solid Wetting Deposition (OSWD) (Trixler et al.: Chem.Eur.J. 13 (2007), 7785) enables to deposit insoluble molecules such as organic pigments and semiconductors on substrate surfaces under ambient conditions. We explore the potential of OSWD to grow and manipulate monolayers of biomolecules and their chelates on graphite and use Alizarin as a model system - a natural organic compound which occurs mainly as an anthraquinone glycoside in plants. Our investigations via Scanning Tunneling Microscopy (STM), Tunneling Spectroscopy (TS) and Molecular Modelling reveal that OSWD works also with bio-organic molecules and chelate complexes and show that the advantages of OSWD (self-assembly under ambient conditions in a non-solvent environment, nanomanipulation via molecular extraction) can all be tapped.

  13. Copper toxicity and organic matter: Resiliency of watersheds in the Duluth Complex, Minnesota, USA

    Science.gov (United States)

    Piatak, Nadine; Seal, Robert; Jones, Perry M.; Woodruff, Laurel G.

    2015-01-01

    We estimated copper (Cu) toxicity in surface water with high dissolved organic matter (DOM) for unmined mineralized watersheds of the Duluth Complex using the Biotic Ligand Model (BLM), which evaluates the effect of DOM, cation competition for biologic binding sites, and metal speciation. A sediment-based BLM was used to estimate stream-sediment toxicity; this approach factors in the cumulative effects of multiple metals, incorporation of metals into less bioavailable sulfides, and complexation of metals with organic carbon. For surface water, the formation of Cu-DOM complexes significantly reduces the amount of Cu available to aquatic organisms. The protective effects of cations, such as calcium (Ca) and magnesium (Mg), competing with Cu to complex with the biotic ligand is likely not as important as DOM in water with high DOM and low hardness. Standard hardness-based water quality criteria (WQC) are probably inadequate for describing Cu toxicity in such waters and a BLM approach may yield more accurate results. Nevertheless, assumptions about relative proportions of humic acid (HA) and fulvic acid (FA) in DOM significantly influence BLM results; the higher the HA fraction, the higher calculated resiliency of the water to Cu toxicity. Another important factor is seasonal variation in water chemistry, with greater resiliency to Cu toxicity during low flow compared to high flow.Based on generally low total organic carbon and sulfur content, and equivalent metal ratios from total and weak partial extractions, much of the total metal concentration in clastic streambedsediments may be in bioavailable forms, sorbed on clays or hydroxide phases. However, organicrich fine-grained sediment in the numerous wetlands may sequester significant amount of metals, limiting their bioavailability. A high proportion of organic matter in waters and some sediments will play a key role in the resiliency of these watersheds to potential additional metal loads associated with future

  14. Innovative Immobilization Matrices.

    Science.gov (United States)

    Alvarez, Gisela S; Echazu, Maria I A; Bertinatto, Jessica A; Catalano, Paolo N; Copello, Guillermo J; Foglia, Maria L; Gonzalez, Joaquin A; Giorgieri, Sergio A; Iglesias, Silvia L; Mebert, Andrea M; Santo-Orihuela, Pablo L; Tuttolomondo, Maria V; Villanueva, Emilia E; Desimone, Martín F

    2016-01-01

    We present a brief survey of some of the recent work of Professor Luis E. Díaz, performed together with his students and collaborators at the University of Buenos Aires. Dr Luis E. Díaz has been involved in research on biochemical and pharmaceutical sciences solving scientific and industry problems for over 40 years until he passed away. Prof. Díaz scientific interests included various topics from NMR spectroscopy to biomedicine but fundamentally he focused in various aspects of chemistry (analytical, organic, inorganic and environmental). This is not a complete survey but a sampling of prominent projects related to sol-gel chemistry with a focus on some of his recent publications.

  15. Plants lacking the main light-harvesting complex retain photosystem II macro-organization.

    Science.gov (United States)

    Ruban, A V; Wentworth, M; Yakushevska, A E; Andersson, J; Lee, P J; Keegstra, W; Dekker, J P; Boekema, E J; Jansson, S; Horton, P

    2003-02-06

    Photosystem II (PSII) is a key component of photosynthesis, the process of converting sunlight into the chemical energy of life. In plant cells, it forms a unique oligomeric macrostructure in membranes of the chloroplasts. Several light-harvesting antenna complexes are organized precisely in the PSII macrostructure-the major trimeric complexes (LHCII) that bind 70% of PSII chlorophyll and three minor monomeric complexes-which together form PSII supercomplexes. The antenna complexes are essential for collecting sunlight and regulating photosynthesis, but the relationship between these functions and their molecular architecture is unresolved. Here we report that antisense Arabidopsis plants lacking the proteins that form LHCII trimers have PSII supercomplexes with almost identical abundance and structure to those found in wild-type plants. The place of LHCII is taken by a normally minor and monomeric complex, CP26, which is synthesized in large amounts and organized into trimers. Trimerization is clearly not a specific attribute of LHCII. Our results highlight the importance of the PSII macrostructure: in the absence of one of its main components, another protein is recruited to allow it to assemble and function.

  16. Soluble dendrimers europium(III) β-diketonate complex for organic memory devices

    International Nuclear Information System (INIS)

    Wang Binbin; Fang Junfeng; Li Bin; You Han; Ma Dongge; Hong Ziruo; Li Wenlian; Su Zhongmin

    2008-01-01

    We report the synthesis of a soluble dendrimers europium(III) complex, tris(dibenzoylmethanato)(1,3,5-tris[2-(2'-pyridyl) benzimidazoly]methylbenzene)-europium(III), and its application in organic electrical bistable memory device. Excellent stability that ensured more than 10 6 write-read-erase-reread cycles has been performed in ambient conditions without current-induced degradation. High-density, low-cost memory, good film-firming property, fascinating thermal and morphological stability allow the application of the dendrimers europium(III) complex as an active medium in non-volatile memory devices

  17. Complex Formation of Selected Radionuclides with Ligands Commonly Found in Ground Water: Low Molecular Organic Acids

    DEFF Research Database (Denmark)

    Jensen, Bror Skytte; Jensen, H.

    1985-01-01

    A general approach to the analysis of potentiometric data on complex formation between cations and polybasic amphoteric acids is described. The method is used for the characterisation of complex formation between Cs+, Sr2+, Co2+, La 3+, and Eu3+ with a α-hydroxy acids, tartaric acid and citric ac......, and with the α-amino acids, aspartic acid and L-cysteine. The cations have been chosen as typical components of reactor waste, and the acids because they are often found as products of microbial activity in pits or wherever organic material decays...

  18. Spectroscopy of charge transfer complexes of four amino acids as organic two-dimensional conductors

    International Nuclear Information System (INIS)

    Padhiyar, Ashvin; Patel, A J; Oza, A T

    2007-01-01

    It is found in this study that four amino acids, namely asparagine, arginine, histidine and glutamine form two-dimensional conducting systems which are charge transfer complexes (CTCs) with organic acceptors like TCNQ, TCNE, chloranil, DDQ, TNF and iodine. It is verified using optical absorption edges that these are 2d conductors like transition metal dichalcogenides obeying absorption functions different from 1d and 3d conductors. This 2d nature is related to the network of intermolecular H-bonding in these complexes, which leads to a global H-bonded network resulting in the absence of local deformation due to the relaxation of strain

  19. On families of anticommuting matrices

    Czech Academy of Sciences Publication Activity Database

    Hrubeš, Pavel

    2016-01-01

    Roč. 493, March 15 (2016), s. 494-507 ISSN 0024-3795 EU Projects: European Commission(XE) 339691 - FEALORA Institutional support: RVO:67985840 Keywords : anticommuting matrices * sum-of-squares formulas Subject RIV: BA - General Mathematics Impact factor: 0.973, year: 2016 http://www.sciencedirect.com/science/article/pii/S0024379515007296

  20. On families of anticommuting matrices

    Czech Academy of Sciences Publication Activity Database

    Hrubeš, Pavel

    2016-01-01

    Roč. 493, March 15 (2016), s. 494-507 ISSN 0024-3795 EU Projects: European Commission(XE) 339691 - FEALORA Institutional support: RVO:67985840 Keywords : anticommuting matrices * sum -of-squares formulas Subject RIV: BA - General Mathematics Impact factor: 0.973, year: 2016 http://www.sciencedirect.com/science/article/pii/S0024379515007296

  1. MALDI matrices for low molecular weight compounds: an endless story?

    Science.gov (United States)

    Calvano, Cosima Damiana; Monopoli, Antonio; Cataldi, Tommaso R I; Palmisano, Francesco

    2018-04-23

    Since its introduction in the 1980s, matrix-assisted laser desorption/ionization mass spectrometry (MALDI MS) has gained a prominent role in the analysis of high molecular weight biomolecules such as proteins, peptides, oligonucleotides, and polysaccharides. Its application to low molecular weight compounds has remained for long time challenging due to the spectral interferences produced by conventional organic matrices in the low m/z window. To overcome this problem, specific sample preparation such as analyte/matrix derivatization, addition of dopants, or sophisticated deposition technique especially useful for imaging experiments, have been proposed. Alternative approaches based on second generation (rationally designed) organic matrices, ionic liquids, and inorganic matrices, including metallic nanoparticles, have been the object of intense and continuous research efforts. Definite evidences are now provided that MALDI MS represents a powerful and invaluable analytical tool also for small molecules, including their quantification, thus opening new, exciting applications in metabolomics and imaging mass spectrometry. This review is intended to offer a concise critical overview of the most recent achievements about MALDI matrices capable of specifically address the challenging issue of small molecules analysis. Graphical abstract An ideal Book of matrices for MALDI MS of small molecules.

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

    Directory of Open Access Journals (Sweden)

    Krishnamoorthy Arumugam

    2014-04-01

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

  3. THEORY OF CONCEPTUAL APPARATUS MANAGEMENT ACCOUNTING AGRICULTURAL ORGANIZATIONS ON THE BASIS OF REGISTRATION AND ANALYTICAL COMPLEX

    Directory of Open Access Journals (Sweden)

    Kobiljon Barview

    2016-02-01

    Full Text Available The article discusses the theory of management accounting unit of the agricultural organizations on the basis of accounting and analytical complex. With the development of modern economic relations of agricultural activity as a traditional sector of the economy, it is exposed to an active state regulation, which is manifested in a particular system of information and analytical support for accounting and control of enterprises in this industry. Agricultural organizations in the conditions of market economy is largely dependent on reliable information and analytical data.

  4. Accelerating Matrix-Vector Multiplication on Hierarchical Matrices Using Graphical Processing Units

    KAUST Repository

    Boukaram, W.

    2015-03-25

    Large dense matrices arise from the discretization of many physical phenomena in computational sciences. In statistics very large dense covariance matrices are used for describing random fields and processes. One can, for instance, describe distribution of dust particles in the atmosphere, concentration of mineral resources in the earth\\'s crust or uncertain permeability coefficient in reservoir modeling. When the problem size grows, storing and computing with the full dense matrix becomes prohibitively expensive both in terms of computational complexity and physical memory requirements. Fortunately, these matrices can often be approximated by a class of data sparse matrices called hierarchical matrices (H-matrices) where various sub-blocks of the matrix are approximated by low rank matrices. These matrices can be stored in memory that grows linearly with the problem size. In addition, arithmetic operations on these H-matrices, such as matrix-vector multiplication, can be completed in almost linear time. Originally the H-matrix technique was developed for the approximation of stiffness matrices coming from partial differential and integral equations. Parallelizing these arithmetic operations on the GPU has been the focus of this work and we will present work done on the matrix vector operation on the GPU using the KSPARSE library.

  5. On the nonnegative inverse eigenvalue problem of traditional matrices

    Directory of Open Access Journals (Sweden)

    Alimohammad Nazari

    2014-07-01

    Full Text Available In this paper, at first for a given set of real or complex numbers $\\sigma$ with nonnegativesummation, we introduce some special conditions that with them there is no nonnegativetridiagonal matrix in which $\\sigma$ is its spectrum. In continue we present some conditions forexistence such nonnegative tridiagonal matrices.

  6. Elements of Calculus Quaternionic Matrices And Some Applications In Vector Algebra And Kinematics

    Directory of Open Access Journals (Sweden)

    Pivnyak G.G.

    2016-04-01

    Full Text Available Quaternionic matrices are proposed to develop mathematical models and perform computational experiments. New formulae for complex vector and scalar products matrix notation, formulae of first curvature, second curvature and orientation of true trihedron tracing are demonstrated in this paper. Application of quaternionic matrices for a problem of airspace transport system trajectory selection is shown.

  7. Self-Organized Complexity and Coherent Infomax from the Viewpoint of Jaynes’s Probability Theory

    Directory of Open Access Journals (Sweden)

    William A. Phillips

    2012-01-01

    Full Text Available This paper discusses concepts of self-organized complexity and the theory of Coherent Infomax in the light of Jaynes’s probability theory. Coherent Infomax, shows, in principle, how adaptively self-organized complexity can be preserved and improved by using probabilistic inference that is context-sensitive. It argues that neural systems do this by combining local reliability with flexible, holistic, context-sensitivity. Jaynes argued that the logic of probabilistic inference shows it to be based upon Bayesian and Maximum Entropy methods or special cases of them. He presented his probability theory as the logic of science; here it is considered as the logic of life. It is concluded that the theory of Coherent Infomax specifies a general objective for probabilistic inference, and that contextual interactions in neural systems perform functions required of the scientist within Jaynes’s theory.

  8. Information and Self-Organization A Macroscopic Approach to Complex Systems

    CERN Document Server

    Haken, Hermann

    2006-01-01

    This book presents the concepts needed to deal with self-organizing complex systems from a unifying point of view that uses macroscopic data. The various meanings of the concept "information" are discussed and a general formulation of the maximum information (entropy) principle is used. With the aid of results from synergetics, adequate objective constraints for a large class of self-organizing systems are formulated and examples are given from physics, life and computer science. The relationship to chaos theory is examined and it is further shown that, based on possibly scarce and noisy data, unbiased guesses about processes of complex systems can be made and the underlying deterministic and random forces determined. This allows for probabilistic predictions of processes, with applications to numerous fields in science, technology, medicine and economics. The extensions of the third edition are essentially devoted to an introduction to the meaning of information in the quantum context. Indeed, quantum inform...

  9. Phosphorescent cyclometalated complexes for efficient blue organic light-emitting diodes

    Science.gov (United States)

    Suzuri, Yoshiyuki; Oshiyama, Tomohiro; Ito, Hiroto; Hiyama, Kunihisa; Kita, Hiroshi

    2014-10-01

    Phosphorescent emitters are extremely important for efficient organic light-emitting diodes (OLEDs), which attract significant attention. Phosphorescent emitters, which have a high phosphorescence quantum yield at room temperature, typically contain a heavy metal such as iridium and have been reported to emit blue, green and red light. In particular, the blue cyclometalated complexes with high efficiency and high stability are being developed. In this review, we focus on blue cyclometalated complexes. Recent progress of computational analysis necessary to design a cyclometalated complex is introduced. The prediction of the radiative transition is indispensable to get an emissive cyclometalated complex. We summarize four methods to control phosphorescence peak of the cyclometalated complex: (i) substituent effect on ligands, (ii) effects of ancillary ligands on heteroleptic complexes, (iii) design of the ligand skeleton, and (iv) selection of the central metal. It is considered that novel ligand skeletons would be important to achieve both a high efficiency and long lifetime in the blue OLEDs. Moreover, the combination of an emitter and a host is important as well as the emitter itself. According to the dependences on the combination of an emitter and a host, the control of exciton density of the triplet is necessary to achieve both a high efficiency and a long lifetime, because the annihilations of the triplet state cause exciton quenching and material deterioration.

  10. Simplicity-minded management. A practical guide to stripping complexity out of your organization.

    Science.gov (United States)

    Ashkenas, Ron

    2007-12-01

    Large organizations are by nature complex, but over the years new business challenges--globalization, innovative technologies, and regulations, to name a few--have conspired to add layer upon layer of complexity to corporate structure and management. Organizations have become increasingly ungovernable and unwieldy: Performance is declining, accountability is unclear, decision rights are muddy, and data are crunched repeatedly, often with no clear purpose in mind. To avoid frustration and inefficiency, executives need to systematically attack the causes of complexity in their companies. Ashkenas and his partners at Robert H. Schaffer & Associates have worked with dozens of firms to help them develop strategies for simplifying. In this article, the author details the elements of a simplicity-minded strategy: Streamline the structure; prune products, services, and features; build disciplined processes; and improve managerial habits. ConAgra Foods' experience illustrates how one company turned itself around through careful execution of a simplicity strategy. The packaged-food supplier had become enormously successful by acquiring well-known brands and then allowing them to operate autonomously, evolving into a $14 billion organization with more than 100 brands, a food services business, and a commodity trading operation. ConAgra, however, had no common method for reporting, tracking, or analyzing results. Over time, therefore, it became a highly unwieldy enterprise, riddled with inefficiencies and unable to communicate adequately with investors and other stakeholders. When CEO Gary Rodkin came on board, in 2005, he invested in a series of initiatives to combat complexity. The tactic not only made life easier for customers and employees but also saved millions of dollars in costs. This article has an online interactive questionnaire that can help you assess your own company's level of complexity.

  11. EFFECT OF COMPLEX ORGANIC COMPOUNDS ON GROWTH PLANLET OF DENDROBIUM ORCHID

    Directory of Open Access Journals (Sweden)

    Sitti Raodah Garuda

    2015-01-01

    Full Text Available Uniqueness of stunning Dendrobium variety such as shapes, colors, and sizes are main attraction of this plant. Germination oforchid seeds can be carried out in a laboratory with in vitro techniques.Medium used for germination of orchid seeds are Vacin and Went medium. Researcher stried to add other substances that may increase growth explants, such as complex organic compounds. Study aims to determine effect of complex organic compounds into growth medium VW Dendrobium plantlets. Research used complete randomized design consist five treatment:VW medium without extract (control, VW medium+banana extract, VW medium+ melon extrac, VW medium+guava extract and VW medium+pepaya extract, with three replications, each replication consist two culture bottles.. Each culture bottle planted four planlets. Addition of complex organic compounds such as melon extract gave best vegetative growth of leaves quantity, roots quantity, root length and fresh weight. While guava extract provide best results to plantlet high and saplings. Plant lets with melon extract treatment showed appearance of muscular orchid plantlets is characteristic of plants that can survive during acclimatization. While both guava extract is best used for purpose of orchid plantlets regeneration.

  12. Towards comprehensive cell lineage reconstructions in complex organisms using light-sheet microscopy.

    Science.gov (United States)

    Amat, Fernando; Keller, Philipp J

    2013-05-01

    Understanding the development of complex multicellular organisms as a function of the underlying cell behavior is one of the most fundamental goals of developmental biology. The ability to quantitatively follow cell dynamics in entire developing embryos is an indispensable step towards such a system-level understanding. In recent years, light-sheet fluorescence microscopy has emerged as a particularly promising strategy for recording the in vivo data required to realize this goal. Using light-sheet fluorescence microscopy, entire complex organisms can be rapidly imaged in three dimensions at sub-cellular resolution, achieving high temporal sampling and excellent signal-to-noise ratio without damaging the living specimen or bleaching fluorescent markers. The resulting datasets allow following individual cells in vertebrate and higher invertebrate embryos over up to several days of development. However, the complexity and size of these multi-terabyte recordings typically preclude comprehensive manual analyses. Thus, new computational approaches are required to automatically segment cell morphologies, accurately track cell identities and systematically analyze cell behavior throughout embryonic development. We review current efforts in light-sheet microscopy and bioimage informatics towards this goal, and argue that comprehensive cell lineage reconstructions are finally within reach for many key model organisms, including fruit fly, zebrafish and mouse. © 2013 The Authors Development, Growth & Differentiation © 2013 Japanese Society of Developmental Biologists.

  13. Complexity in organizations and environment - adaptive changes and adaptive decision-making

    Directory of Open Access Journals (Sweden)

    Robert Fabac

    2010-07-01

    Full Text Available The features of complexity are ever more present in modern organizations and in environments in which they operate, trying to survive and be as competitive as possible. In the processes of, the so-called emergence, the formal organizational structure, designed purposefully and with a plan, is going through a change due to complexity and the need for adaptation. As a result, there is a variety of new informal groups. At the same time, the intended structural changes and business process changes occur because of the perception that the leadership and senior organizational management have of the strategic situation. Managers in modern organizations often use business intelligence (BI systems when making important business decisions. These systems offer support to the decision-making by gathering and processing relevant data and information about the company performance, but also about the data on conditions in close and remote environment. A modern company is characterized by the complex adaptive system, but the environment in which it operates together with other business subjects (agents is also complex. Consequently, the requirements for appropriate or optimal decisions and successfully completed activities are hard to meet. Given that expected future events and circumstances often occur in nonlinear mechanisms, the decisions made by following the models of traditional predicting and planning are not satisfactory. This calls for new approaches to decision making and acting.

  14. Properties of aqueous dispersion of chitosan and chondroitin sulfate complex derived from aquatic organisms

    Directory of Open Access Journals (Sweden)

    Novikov V. Yu.

    2016-09-01

    Full Text Available Investigation of production of chondroitin sulfate, chitosan and polyelectrolyte complexes based on them received from the local marine raw materials is relevant from the point of view of developing a comprehensive waste-free technology for natural raw materials processing. The objects of study are chitosan derived from the shell of the Kamchatka crab Paralithodes camtschaticus and chondroitin sulfate derived from cartilage of salmon Salmon salar. To determine the surface tension of polyelectrolyte complex solutions and dispersions the Wilhelmy method has been used, the effective radius of particle dispersion has been calculated by light scattering, measurements of effective viscosity have been carried out under shear deformation. The conditions of formation, surface and rheological properties of the chitosan and chondroitin sulfate complex extracted from aquatic organisms in the Barents Sea have been studied. Obtaining conditions and molar ratios of these polyelectrolytes in which the aqueous dispersion of the complex remains stable for a long time have been established. It has been found that by addition of chondroitin sulfate solution to chitosan solution in molar ratios of 1 : 3; 1 : 6 the dispersion of the polyelectrolyte complex stable for 2 to 3 days has been formed. The polyelectrolyte complex dispersions behave as non-Newtonian pseudoplastic liquid. When the molar ratio of the mixed solution is 1 : 1 (regardless of the sequence of mixing suspension of the polyelectrolyte complex has been formed, then there is precipitation. Equilibrium surface tension of the aqueous dispersion of the polyelectrolyte complex is higher than that of solutions of chondroitin sulfate and chitosan. The effective radius of particles in the complex dispersion has been determined. The effective radius of the particles in the complex dispersion depends on the molar ratio of chondroitin sulfate : chitosan. A qualitative scheme of formation of polyelectrolyte

  15. The modified Gauss diagonalization of polynomial matrices

    International Nuclear Information System (INIS)

    Saeed, K.

    1982-10-01

    The Gauss algorithm for diagonalization of constant matrices is modified for application to polynomial matrices. Due to this modification the diagonal elements become pure polynomials rather than rational functions. (author)

  16. Double stochastic matrices in quantum mechanics

    International Nuclear Information System (INIS)

    Louck, J.D.

    1997-01-01

    The general set of doubly stochastic matrices of order n corresponding to ordinary nonrelativistic quantum mechanical transition probability matrices is given. Lande's discussion of the nonquantal origin of such matrices is noted. Several concrete examples are presented for elementary and composite angular momentum systems with the focus on the unitary symmetry associated with such systems in the spirit of the recent work of Bohr and Ulfbeck. Birkhoff's theorem on doubly stochastic matrices of order n is reformulated in a geometrical language suitable for application to the subset of quantum mechanical doubly stochastic matrices. Specifically, it is shown that the set of points on the unit sphere in cartesian n'-space is subjective with the set of doubly stochastic matrices of order n. The question is raised, but not answered, as to what is the subset of points of this unit sphere that correspond to the quantum mechanical transition probability matrices, and what is the symmetry group of this subset of matrices

  17. Virial expansion for almost diagonal random matrices

    Science.gov (United States)

    Yevtushenko, Oleg; Kravtsov, Vladimir E.

    2003-08-01

    Energy level statistics of Hermitian random matrices hat H with Gaussian independent random entries Higeqj is studied for a generic ensemble of almost diagonal random matrices with langle|Hii|2rangle ~ 1 and langle|Hi\

  18. A Conceptual Schema of the Programming Process in the Complex Adult Education Organization with Special Emphasis on Its Sociological Aspects.

    Science.gov (United States)

    Boone, Edgar J.; And Others

    Objectives of this paper were to define the concept of programing, to discuss programing in a complex adult education organization, and to point out aspects of programing of a sociological nature. Programing is a decision-making process. In a complex adult education organization, the process can be divided into eight phases: formulating the…

  19. Unprecedented Self-Organized Monolayer of a Ru(II) Complex by Diazonium Electroreduction.

    Science.gov (United States)

    Nguyen, Van Quynh; Sun, Xiaonan; Lafolet, Frédéric; Audibert, Jean-Frédéric; Miomandre, Fabien; Lemercier, Gilles; Loiseau, Frédérique; Lacroix, Jean-Christophe

    2016-08-03

    A new heteroleptic polypyridyle Ru(II) complex was synthesized and deposited on surface by the diazonium electroreduction process. It yields to the covalent grafting of a monolayer. The functionalized surface was characterized by XPS, electrochemistry, AFM, and STM. A precise organization of the molecules within the monolayer is observed with parallel linear stripes separated by a distance of 3.8 nm corresponding to the lateral size of the molecule. Such organization suggests a strong cooperative process in the deposition process. This strategy is an original way to obtain well-controlled and stable functionalized surfaces for potential applications related to the photophysical properties of the grafted chromophore. As an exciting result, it is the first example of a self-organized monolayer (SOM) obtained using diazonium electroreduction.

  20. Data quality objective to support resolution of the organic complexant safety issue

    International Nuclear Information System (INIS)

    Turner, D.A.; Babad, H.; Buckley, L.L.; Meacham, J.E.

    1995-01-01

    This document records the data quality objectives (DQO) process applied to the organic complexant safety issue at the Hanford Site. Two important outputs of this particular DQO application were the following: (1) decision rules for categorizing organic tanks; and (2) analytical requirements that feed into the tank-specific characterization plans. The decision rules developed in this DQO allow the organic tanks to be categorized as safe, conditionally safe, or unsafe based on fuel and moisture concentrations. Then analytical requirements from this DQO process fall into two groups, primary and secondary. The primary data requirements are always applied, while the secondary requirements are only necessary on those half segment samples that violate the fuel and moisture decision rules or that propagate during adiabatic calorimetry testing

  1. Critical statistics for non-Hermitian matrices

    International Nuclear Information System (INIS)

    Garcia-Garcia, A.M.; Verbaarschot, J.J.M.; Nishigaki, S.M.

    2002-01-01

    We introduce a generalized ensemble of non-Hermitian matrices interpolating between the Gaussian Unitary Ensemble, the Ginibre ensemble, and the Poisson ensemble. The joint eigenvalue distribution of this model is obtained by means of an extension of the Itzykson-Zuber formula to general complex matrices. Its correlation functions are studied both in the case of weak non-Hermiticity and in the case of strong non-Hermiticity. In the weak non-Hermiticity limit we show that the spectral correlations in the bulk of the spectrum display critical statistics: the asymptotic linear behavior of the number variance is already approached for energy differences of the order of the eigenvalue spacing. To lowest order, its slope does not depend on the degree of non-Hermiticity. Close the edge, the spectral correlations are similar to the Hermitian case. In the strong non-Hermiticity limit the crossover behavior from the Ginibre ensemble to the Poisson ensemble first appears close to the surface of the spectrum. Our model may be relevant for the description of the spectral correlations of an open disordered system close to an Anderson transition

  2. Asymmetric correlation matrices: an analysis of financial data

    Science.gov (United States)

    Livan, G.; Rebecchi, L.

    2012-06-01

    We analyse the spectral properties of correlation matrices between distinct statistical systems. Such matrices are intrinsically non-symmetric, and lend themselves to extend the spectral analyses usually performed on standard Pearson correlation matrices to the realm of complex eigenvalues. We employ some recent random matrix theory results on the average eigenvalue density of this type of matrix to distinguish between noise and non-trivial correlation structures, and we focus on financial data as a case study. Namely, we employ daily prices of stocks belonging to the American and British stock exchanges, and look for the emergence of correlations between two such markets in the eigenvalue spectrum of their non-symmetric correlation matrix. We find several non trivial results when considering time-lagged correlations over short lags, and we corroborate our findings by additionally studying the asymmetric correlation matrix of the principal components of our datasets.

  3. Tetra- and hexavalent uranium forms bidentate-mononuclear complexes with particulate organic matter in a naturally uranium-enriched peatland

    DEFF Research Database (Denmark)

    Mikutta, Christian; Langner, Peggy; Bargar, John R.

    2016-01-01

    Peatlands frequently serve as efficient biogeochemical traps for U. Mechanisms of U immobilization in these organic matter-dominated environments may encompass the precipitation of U-bearing mineral(oid)s and the complexation of U by a vast range of (in)organic surfaces. The objective of this work...... of bidentate-mononuclear U(IV/VI) complexes with carboxyl groups. We neither found evidence for U shells at ∼3.9 Å, indicative of mineral-associated U or multinuclear U(IV) species, nor for a substantial P/Fe coordination of U. Our data indicates that U(IV/VI) complexation by natural organic matter prevents...... the precipitation of U minerals as well as U complexation by Fe/Mn phases at our field site, and suggests that organically complexed U(IV) is formed via reduction of organic matter-bound U(VI)....

  4. Phenomenological mass matrices with a democratic warp

    International Nuclear Information System (INIS)

    Kleppe, A.

    2018-01-01

    Taking into account all available data on the mass sector, we obtain unitary rotation matrices that diagonalize the quark matrices by using a specific parametrization of the Cabibbo-Kobayashi-Maskawa mixing matrix. In this way, we find mass matrices for the up- and down-quark sectors of a specific, symmetric form, with traces of a democratic texture.

  5. Complexation of the actinides (III, IV and V) with organic acids

    International Nuclear Information System (INIS)

    Leguay, S.

    2012-01-01

    A thorough knowledge of the chemical properties of actinides is now required in a wide variety of fields: extraction processes involved in spent fuel reprocessing, groundwater in the vicinity of radioactive waste packages, environmental and biological media in the case of accidental release of radionuclides. In this context, the present work has been focused on the complexation of Am(III), Cm(III), Cf(III), Pu(IV) and Pa(V) with organic ligands: DTPA, NTA and citric acid. The complexation of pentavalent protactinium with citric and nitrilotriacetic acids was studied using liquid-liquid extraction with the element at tracer scale (C Pa ≤ 10 -10 M). The order and the mean charge of each complex were determined from the analysis of the systematic variations of the distribution coefficient of Pa(V) as function of ligand and proton concentration. Then, the apparent formation constants related of the so-identified complexes were calculated. The complexation of trivalent actinides with DTPA was studied by fluorescence spectroscopy (TRLFS) and capillary electrophoresis (CE-ICP-MS). The coexistence of the mono-protonated and non-protonated complexes (AnHDTPA - and AnDTPA 2- ) in acidic media (1.5 ≤ pH ≤ 3.5) was shown unambiguously. Literature data have been reinterpreted by taking into account both complexes and a consistent set of formation constants of An(III)-DTPA has been obtained. The experimental study was completed by theoretical calculations (DFT) on Cm-DTPA system. The coordination geometry of Cm in CmDTPA 2- and CmHDTPA - including water molecules in the first coordination sphere has been determined as well as interatomic distances. Finally, a study on the complexation of Pu(IV) with DTPA was initiated in order to more closely mimic physiological conditions. A three-step approach was proposed to avoid plutonium hydrolysis: i/ complexation of Pu(IV) with (NTA) in order to protect Pu(IV) from hydrolysis (at low pH) ii/ increase of pH toward neutral conditions

  6. Hierarchical Matrices Method and Its Application in Electromagnetic Integral Equations

    Directory of Open Access Journals (Sweden)

    Han Guo

    2012-01-01

    Full Text Available Hierarchical (H- matrices method is a general mathematical framework providing a highly compact representation and efficient numerical arithmetic. When applied in integral-equation- (IE- based computational electromagnetics, H-matrices can be regarded as a fast algorithm; therefore, both the CPU time and memory requirement are reduced significantly. Its kernel independent feature also makes it suitable for any kind of integral equation. To solve H-matrices system, Krylov iteration methods can be employed with appropriate preconditioners, and direct solvers based on the hierarchical structure of H-matrices are also available along with high efficiency and accuracy, which is a unique advantage compared to other fast algorithms. In this paper, a novel sparse approximate inverse (SAI preconditioner in multilevel fashion is proposed to accelerate the convergence rate of Krylov iterations for solving H-matrices system in electromagnetic applications, and a group of parallel fast direct solvers are developed for dealing with multiple right-hand-side cases. Finally, numerical experiments are given to demonstrate the advantages of the proposed multilevel preconditioner compared to conventional “single level” preconditioners and the practicability of the fast direct solvers for arbitrary complex structures.

  7. Complex Nanostructures from Materials based on Metal-Organic Frameworks for Electrochemical Energy Storage and Conversion.

    Science.gov (United States)

    Guan, Bu Yuan; Yu, Xin Yao; Wu, Hao Bin; Lou, Xiong Wen David

    2017-12-01

    Metal-organic frameworks (MOFs) have drawn tremendous attention because of their abundant diversity in structure and composition. Recently, there has been growing research interest in deriving advanced nanomaterials with complex architectures and tailored chemical compositions from MOF-based precursors for electrochemical energy storage and conversion. Here, a comprehensive overview of the synthesis and energy-related applications of complex nanostructures derived from MOF-based precursors is provided. After a brief summary of synthetic methods of MOF-based templates and their conversion to desirable nanostructures, delicate designs and preparation of complex architectures from MOFs or their composites are described in detail, including porous structures, single-shelled hollow structures, and multishelled hollow structures, as well as other unusual complex structures. Afterward, their applications are discussed as electrode materials or catalysts for lithium-ion batteries, hybrid supercapacitors, water-splitting devices, and fuel cells. Lastly, the research challenges and possible development directions of complex nanostructures derived from MOF-based-templates for electrochemical energy storage and conversion applications are outlined. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. S-matrices and integrability

    International Nuclear Information System (INIS)

    Bombardelli, Diego

    2016-01-01

    In these notes we review the S-matrix theory in (1+1)-dimensional integrable models, focusing mainly on the relativistic case. Once the main definitions and physical properties are introduced, we discuss the factorization of scattering processes due to integrability. We then focus on the analytic properties of the two-particle scattering amplitude and illustrate the derivation of the S-matrices for all the possible bound states using the so-called bootstrap principle. General algebraic structures underlying the S-matrix theory and its relation with the form factors axioms are briefly mentioned. Finally, we discuss the S-matrices of sine-Gordon and SU (2), SU (3) chiral Gross–Neveu models. (topical review)

  9. Synthesised standards in natural matrices

    International Nuclear Information System (INIS)

    Olsen, D.G.

    1980-01-01

    The problem of securing the most reliable standards for the accurate analysis of radionuclides is discussed in the paper and in the comment on the paper. It is contended in the paper that the best standards can be created by quantitative addition of accurately known spiking solutions into carefully selected natural matrices. On the other hand it is argued that many natural materials can be successfully standardized for numerous trace constituents. Both points of view are supported with examples. (U.K.)

  10. A Self-Perpetuating Catalyst for the Production of Complex Organic Molecules in Protostellar Nebulae

    Science.gov (United States)

    Nuth, Joseph A.; Johnson, N. M.

    2010-01-01

    The formation of abundant carbonaceous material in meteorites is a long standing problem and an important factor in the debate on the potential for the origin of life in other stellar systems. Many mechanisms may contribute to the total organic content in protostellar nebulae, ranging from organics formed via ion-molecule and atom-molecule reactions in the cold dark clouds from which such nebulae collapse, to similar ion-molecule and atom-molecule reactions in the dark regions of the nebula far from the proto star, to gas phase reactions in sub-nebulae around growing giant planets and in the nebulae themselves. The Fischer-Tropsch-type (FTT) catalytic reduction of CO by hydrogen was once the preferred model for production of organic materials in the primitive solar nebula. The Haber-Bosch catalytic reduction of N2 by hydrogen was thought to produce the reduced nitrogen found in meteorites. However, the clean iron metal surfaces that catalyze these reactions are easily poisoned via reaction with any number of molecules, including the very same complex organics that they produce and both reactions work more efficiently in the hot regions of the nebula. We have demonstrated that many grain surfaces can catalyze both FTT and HB-type reactions, including amorphous iron and magnesium silicates, pure silica smokes as well as several minerals. Although none work as well as pure iron grains, and all produce a wide range of organic products rather than just pure methane, these materials are not truly catalysts.

  11. Monitoring plan for routine organic air emissions at the Radioactive Waste Management Complex Waste Storage Facilities

    International Nuclear Information System (INIS)

    Galloway, K.J.; Jolley, J.G.

    1994-06-01

    This monitoring plan provides the information necessary to perform routine organic air emissions monitoring at the Waste Storage Facilities located at the Transuranic Storage Area of the Radioactive Waste Management Complex at the Idaho National Engineering Laboratory. The Waste Storage Facilities include both the Type I and II Waste Storage Modules. The plan implements a dual method approach where two dissimilar analytical methodologies, Open-Path Fourier Transform Infrared Spectroscopy (OP-FTIR) and ancillary SUMMA reg-sign canister sampling, following the US Environmental Protection Agency (EPA) analytical method TO-14, will be used to provide qualitative and quantitative volatile organic concentration data. The Open-Path Fourier Transform Infrared Spectroscopy will provide in situ, real time monitoring of volatile organic compound concentrations in the ambient air of the Waste Storage Facilities. To supplement the OP-FTIR data, air samples will be collected using SUMMA reg-sign, passivated, stainless steel canisters, following the EPA Method TO-14. These samples will be analyzed for volatile organic compounds with gas chromatograph/mass spectrometry analysis. The sampling strategy, procedures, and schedules are included in this monitoring plan. The development of this monitoring plan is driven by regulatory compliance to the Resource Conservation and Recovery Act, State of Idaho Toxic Air Pollutant increments, Occupational Safety and Health Administration. The various state and federal regulations address the characterization of the volatile organic compounds and the resultant ambient air emissions that may originate from facilities involved in industrial production and/or waste management activities

  12. Organically complexed copper, zinc, and chelating agents in the rivers of Western Puerto Rico

    International Nuclear Information System (INIS)

    Montgomery, J.R.; Echevarria, J.E.

    1975-01-01

    The method for determining soluble chelators gives their concentration in copper-equivalent chelating capacity units in fresh or slightly brackish (less than 3 percent salinity) water. The mean concentration of chelators in the Rio Guanajibo for December 1973 and January 1974 was 0.4 mg of copper per liter of water (N = 21, SD = 0.2) and for February 1974, 0.9 mg/liter (N = 8, SD = 0.4). The combined mean for the Rio Anasco and Culebrinas was 0.5 mg/liter (N = 7, SD = 0.4) in January and February 1974. The mean concentration of ionic copper was 0.5 μg/liter (N = 7, SD = 0.6) and of ionic zinc, 0.2 μg/liter (N = 8, SD = 0.1) in the Rio Guanajibo from November 1972 to February 1973. The concentration of organically bound copper was 0.3 μ/liter (N = 7, SD = 0.2) and that of organically bound zinc was 0.6 μg/liter (N = 8, SD = 0.6); this indicates that there was more than a sufficient quantity of chelator available in the river to complex all the soluble copper. The presence of a high ratio of Ca 2+ to Cu 2+ probably prevents the formation of larger concentrations of organically complexed copper. The mean concentration of chelating agents in the Guanajibo River seems to be directly related to the increased organic input from municipalities and a sugar mill. The concentration of chelators in tropical rivers appears to be higher than that found in Canadian lakes. The mean concentration for particulate organic carbon (POC) was 3653 μg atoms/liter (SD = 3653, N = 29). The dissolved reactive phosphate (DRP) ranged from a mean of 1.1 μg atom/liter. No significant correlation could be found between POC, DRP, and the concentration of chelators

  13. CARBON DIOXIDE INFLUENCE ON THE THERMAL FORMATION OF COMPLEX ORGANIC MOLECULES IN INTERSTELLAR ICE ANALOGS

    Energy Technology Data Exchange (ETDEWEB)

    Vinogradoff, V.; Fray, N.; Bouilloud, M.; Cottin, H. [LISA Laboratoire Interuniversitaire des Systèmes Atmosphériques, UMR CNRS 7583, Université Paris Est Créteil (UPEC), Université Paris Diderot (UPD), Institut Pierre Simon Laplace, Labex ESEP, Paris (France); Duvernay, F.; Chiavassa, T., E-mail: vvinogradoff@mnhn.fr [PIIM, Laboratoire de Physique des Interactions Ioniques et Moléculaires, Université Aix-Marseille, UMR CNRS 7345, Marseille (France)

    2015-08-20

    Interstellar ices are submitted to energetic processes (thermal, UV, and cosmic-ray radiations) producing complex organic molecules. Laboratory experiments aim to reproduce the evolution of interstellar ices to better understand the chemical changes leading to the reaction, formation, and desorption of molecules. In this context, the thermal evolution of an interstellar ice analogue composed of water, carbon dioxide, ammonia, and formaldehyde is investigated. The ice evolution during the warming has been monitored by IR spectroscopy. The formation of hexamethylenetetramine (HMT) and polymethylenimine (PMI) are observed in the organic refractory residue left after ice sublimation. A better understanding of this result is realized with the study of another ice mixture containing methylenimine (a precursor of HMT) with carbon dioxide and ammonia. It appears that carbamic acid, a reaction product of carbon dioxide and ammonia, plays the role of catalyst, allowing the reactions toward HMT and PMI formation. This is the first time that such complex organic molecules (HMT, PMI) are produced from the warming (without VUV photolysis or irradiation with energetic particles) of abundant molecules observed in interstellar ices (H{sub 2}O, NH{sub 3}, CO{sub 2}, H{sub 2}CO). This result strengthens the importance of thermal reactions in the ices’ evolution. HMT and PMI, likely components of interstellar ices, should be searched for in the pristine objects of our solar system, such as comets and carbonaceous chondrites.

  14. CARBON DIOXIDE INFLUENCE ON THE THERMAL FORMATION OF COMPLEX ORGANIC MOLECULES IN INTERSTELLAR ICE ANALOGS

    International Nuclear Information System (INIS)

    Vinogradoff, V.; Fray, N.; Bouilloud, M.; Cottin, H.; Duvernay, F.; Chiavassa, T.

    2015-01-01

    Interstellar ices are submitted to energetic processes (thermal, UV, and cosmic-ray radiations) producing complex organic molecules. Laboratory experiments aim to reproduce the evolution of interstellar ices to better understand the chemical changes leading to the reaction, formation, and desorption of molecules. In this context, the thermal evolution of an interstellar ice analogue composed of water, carbon dioxide, ammonia, and formaldehyde is investigated. The ice evolution during the warming has been monitored by IR spectroscopy. The formation of hexamethylenetetramine (HMT) and polymethylenimine (PMI) are observed in the organic refractory residue left after ice sublimation. A better understanding of this result is realized with the study of another ice mixture containing methylenimine (a precursor of HMT) with carbon dioxide and ammonia. It appears that carbamic acid, a reaction product of carbon dioxide and ammonia, plays the role of catalyst, allowing the reactions toward HMT and PMI formation. This is the first time that such complex organic molecules (HMT, PMI) are produced from the warming (without VUV photolysis or irradiation with energetic particles) of abundant molecules observed in interstellar ices (H 2 O, NH 3 , CO 2 , H 2 CO). This result strengthens the importance of thermal reactions in the ices’ evolution. HMT and PMI, likely components of interstellar ices, should be searched for in the pristine objects of our solar system, such as comets and carbonaceous chondrites

  15. Microchip-calorimetry of organic charge transfer complex which shows superconductivity at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Muraoka, Yuki [Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama 1-1, Toyonaka, Osaka 560-0043 (Japan); Yamashita, Satoshi [RIKEN, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Yamamoto, Takashi [Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama 1-1, Toyonaka, Osaka 560-0043 (Japan); Nakazawa, Yasuhiro, E-mail: nakazawa@chem.sci.osaka-u.ac.jp [Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama 1-1, Toyonaka, Osaka 560-0043 (Japan); Institute for Molecular Science, Nishigonaka 38, Myodaiji, Okazaki 444-8585 (Japan)

    2012-03-20

    Highlights: Black-Right-Pointing-Pointer Organic charge transfer salt of {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Br shows superconductivity. Black-Right-Pointing-Pointer We succeeded to detect thermal anomaly microchip device TCG3880. Black-Right-Pointing-Pointer Development details of the calorimeter and the detection system is presented. Black-Right-Pointing-Pointer The magnetic fields dependence shows typical character of layered superconductor. - Abstract: We carried out thermodynamic measurements of organic charge transfer complex of {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Br, where BEDT-TTF is bis(ethylenedithio)tetrathiafulvalene by TCG3880 chip device in order to examine capability of the chip calorimeter at low temperature region and under magnetic fields. TCG3880 chip is mounted on a {sup 3}He cryostat available in combination with a superconductive magnet up to 7 T. Thermal anomalies related to the glass-like freezing of ethylene groups of BEDT-TTF molecules and the superconductive transition were observed. A frequency dependence of the thermal anomaly of the glass formation and a magnetic fields dependence of the thermal anomaly of the superconductive transition are reported. The results presented in this work demonstrate that the TCG3880 is quite useful for thermodynamic investigations of the organic charge transfer complex with much reduced sample quantity as compared with those of relaxation and adiabatic calorimetry.

  16. Affinity for a malignant tumor and organs of sup(99m)Tc-citrate complex

    Energy Technology Data Exchange (ETDEWEB)

    Ando, A; Sanada, S; Hiraki, T [Kanazawa Univ. (Japan). School of Paramedicine; Hisada, K; Nakazawa, N

    1976-12-01

    In order to investigate the tumor affinity of sup(99m)Tc-citrate complex, it was synthesized in three different ways. By (1) reducing sup(99m)TcO/sub 4//sup -/ with FeCl/sub 3//sup -/ ascorbic acid in 0.15 M sodium citrate, (2) reducing sup(99m)TcO/sub 4//sup -/ with SnCl/sub 2/ solution in 0.15 M sodium citrate, and (3) reducing sup(99m)TcO/sub 4//sup -/ with NaBH/sub 4/ in 0.45 sodium citrate. It was presumed from thinlayer chromatography that the sup(99m)Tc-citrate complexes synthesized in three ways were chemically different. These sup(99m)Tc-citrate complexes were injected intravenously into the rats subcutaneously transplanted with Yoshida sarcoma. These rats were sacrificed at one hour and three hours after injection. The radioactivity of the tumor, blood, muscle, liver, kidney, spleen and urine was measured by well-type scintillation counter. The retention values in these organs and the excretion rates in the urine were calculated. sup(99m)Tc-citrate complex synthesized by reducing sup(99m)TcO/sub 4//sup -/ with SnCl/sub 2/ solution had very strong affinity for the malignant tumor but the other two sup(99m)Tc-citrate complexes had no affinity to the malignant tumor. Excretion rates (% dose) of sup(99m)Tc-citrate complexes in one hour were from 65% to 75%.

  17. Computing with linear equations and matrices

    International Nuclear Information System (INIS)

    Churchhouse, R.F.

    1983-01-01

    Systems of linear equations and matrices arise in many disciplines. The equations may accurately represent conditions satisfied by a system or, more likely, provide an approximation to a more complex system of non-linear or differential equations. The system may involve a few or many thousand unknowns and each individual equation may involve few or many of them. Over the past 50 years a vast literature on methods for solving systems of linear equations and the associated problems of finding the inverse or eigenvalues of a matrix has been produced. These lectures cover those methods which have been found to be most useful for dealing with such types of problem. References are given where appropriate and attention is drawn to the possibility of improved methods for use on vector and parallel processors. (orig.)

  18. Assembly and structural organization of pigment-protein complexes in membranes of Rhodopseudomonas sphaeroides

    International Nuclear Information System (INIS)

    Hunter, C.N.; Pennoyer, J.D.; Niederman, R.A.

    1982-01-01

    The B875 and B800-850 light-harvesting pigment-protein complexes of Rhodopseudomonas sphaeroides are characterized further by lithium dodecyl sulfate/polyacrylamide gel electrophoresis at 4 degrees C. Bacteriochlorophyll a was shown in reconstruction studies to remain complexed with its respective binding proteins during this procedure. From distributions in these gels, a quantitative description for the arrangement of the complexes is proposed. Assembly of the complexes was examined in delta-aminolevulinate-requiring mutant H-5 after a shift from high- to low-light intensity. After 10 h of delta-[ 3 H]aminolevulinate labeling, the specific radioactivity of bacteriochlorophyll in a fraction containing putative membrane invaginations reached the maximal level, while that of the mature photosynthetic membrane was at only one-third this level. This suggests that membrane invaginations are sites of preferential bacteriochlorophyll synthesis in which completed pigment-proteins exist transiently. Analysis of the 3 H distribution after electrophoretic separation further suggests that photosynthetic membranes grow mainly by addition of B800-850 to preformed membrane consisting largely of B875 and photochemical reaction centers. These results corroborate the above model for the structural organization of the light-harvesting system and indicate that the structurally and functionally discrete B800-850 pool is not completely assembled until all B875 sites for B800-850 interactions are occupied

  19. Half-sandwich cobalt complexes in the metal-organic chemical vapor deposition process

    Energy Technology Data Exchange (ETDEWEB)

    Georgi, Colin [Technische Universität Chemnitz, Faculty of Natural Science, Institute of Chemistry, Inorganic Chemistry, Chemnitz 09107 (Germany); Hapke, Marko; Thiel, Indre [Leibniz-Institut für Katalyse e.V. an der Universität Rostock (LIKAT), Albert-Einstein-Straße 29a, Rostock 18059 (Germany); Hildebrandt, Alexander [Technische Universität Chemnitz, Faculty of Natural Science, Institute of Chemistry, Inorganic Chemistry, Chemnitz 09107 (Germany); Waechtler, Thomas; Schulz, Stefan E. [Fraunhofer Institute of Electronic Nano Systems (ENAS), Technologie-Campus 3, Chemnitz 09126 (Germany); Technische Universität Chemnitz, Center for Microtechnologies (ZfM), Chemnitz 09107 (Germany); Lang, Heinrich, E-mail: heinrich.lang@chemie.tu-chemnitz.de [Technische Universität Chemnitz, Faculty of Natural Science, Institute of Chemistry, Inorganic Chemistry, Chemnitz 09107 (Germany)

    2015-03-02

    A series of cobalt half-sandwich complexes of type [Co(η{sup 5}-C{sub 5}H{sub 5})(L)(L′)] (1: L, L′ = 1,5-hexadiene; 2: L = P(OEt){sub 3}, L′ = H{sub 2}C=CHSiMe{sub 3}; 3: L = L′ = P(OEt){sub 3}) has been studied regarding their physical properties such as the vapor pressure, decomposition temperature and applicability within the metal-organic chemical vapor deposition (MOCVD) process, with a focus of the influence of the phosphite ligands. It could be shown that an increasing number of P(OEt){sub 3} ligands increases the vapor pressure and thermal stability of the respective organometallic compound. Complex 3 appeared to be a promising MOCVD precursor with a high vapor pressure and hence was deposited onto Si/SiO{sub 2} (100 nm) substrates. The resulting reflective layer is closed, dense and homogeneous, with a slightly granulated surface morphology. X-ray photoelectron spectroscopy (XPS) studies demonstrated the formation of metallic cobalt, cobalt phosphate, cobalt oxide and cobalt carbide. - Highlights: • Thermal studies and vapor pressure measurements of cobalt half-sandwich complexes was carried out. • Chemical vapor deposition with cobalt half-sandwich complexes is reported. • The use of Co-phosphites results in significant phosphorous-doped metallic layers.

  20. Fabrication of an Organic Light-Emitting Diode from New Host π Electron Rich Zinc Complex

    Science.gov (United States)

    Jafari, Mohammad Reza; Janghouri, Mohammad; Shahedi, Zahra

    2017-01-01

    A new π electron rich zinc complex was used as a fluorescent material in organic light-emitting diodes (OLEDs). Devices with a structure of indium tin oxide/poly (3,4-ethylenedi-oxythiophene):poly(styrenesulfonate) (PEDOT: PSS) (50 nm)/polyvinylcarbazole (60 nm)/Zn: %2 porphyrin derivatives (45 nm)/Al (150 nm) were fabricated. Porphyrin derivatives accounting for 2 wt.% in the π electron rich zinc complex were used as a host. The electroluminescence (EL) spectra of porphyrin derivatives indicated a red shift, as π electron rich zinc complex EL spectra. The device (4) has also a luminance of 3420 cd/m2 and maximum efficiency of 1.58 cd/A at 15 V, which are the highest values among four devices. The result of Commission International del'Eclairage (CIE) (X, Y) coordinate and EL spectrum of device (3) indicated that it is more red shifted compared to other devices. Results of this work indicate that π electron rich zinc complex is a promising host material for high efficiency red OLEDs and has a simple structure compared to Alq3-based devices.

  1. Using evaluation to adapt health information outreach to the complex environments of community-based organizations.

    Science.gov (United States)

    Olney, Cynthia A

    2005-10-01

    After arguing that most community-based organizations (CBOs) function as complex adaptive systems, this white paper describes the evaluation goals, questions, indicators, and methods most important at different stages of community-based health information outreach. This paper presents the basic characteristics of complex adaptive systems and argues that the typical CBO can be considered this type of system. It then presents evaluation as a tool for helping outreach teams adapt their outreach efforts to the CBO environment and thus maximize success. Finally, it describes the goals, questions, indicators, and methods most important or helpful at each stage of evaluation (community assessment, needs assessment and planning, process evaluation, and outcomes assessment). Literature from complex adaptive systems as applied to health care, business, and evaluation settings is presented. Evaluation models and applications, particularly those based on participatory approaches, are presented as methods for maximizing the effectiveness of evaluation in dynamic CBO environments. If one accepts that CBOs function as complex adaptive systems-characterized by dynamic relationships among many agents, influences, and forces-then effective evaluation at the stages of community assessment, needs assessment and planning, process evaluation, and outcomes assessment is critical to outreach success.

  2. 109Ag nuclear magnetic resonance studies of organic and inorganic silver complexes

    International Nuclear Information System (INIS)

    Jucker, K.; Sahm, W.; Schwenk, A.

    1976-01-01

    The NMR lines of 109 Ag have been investigated in solutions of several silver salts in acetonitrile, propionitrile, pyridine, and ethylenediamine, and also in aqueous solutions of Na 2 S 2 O 3 and ethylamine. In these solvents the Ag + -ions form one or several complexes. In any case a single NMR line was to be detected, i.e.a. rapid chemical exchange between different complexes in a sample may be assumed. In two samples of AgNO 3 dissolved in organic solvents, the ratio ν ( 109 Ag)/ν ( 107 Ag) = 1.149640 (1) was measured in good agreement with the value from silver salts in aqueous solutions; i.e. no primary isotopic effect was to be detected within these limits of error (0.9 ppm). (orig./WBU) [de

  3. Methods of analysis for complex organic aerosol mixtures from urban emission sources of particulate carbon

    International Nuclear Information System (INIS)

    Mazurek, M.A.; Hildemann, L.M.; Simoneit, B.R.T.

    1990-10-01

    Organic aerosols comprise approximately 30% by mass of the total fine particulate matter present in urban atmospheres. The chemical composition of such aerosols is complex and reflects input from multiple sources of primary emissions to the atmosphere, as well as from secondary production of carbonaceous aerosol species via photochemical reactions. To identify discrete sources of fine carbonaceous particles in urban atmospheres, analytical methods must reconcile both bulk chemical and molecular properties of the total carbonaceous aerosol fraction. This paper presents an overview of the analytical protocol developed and used in a study of the major sources of fine carbon particles emitted to an urban atmosphere. 23 refs., 1 fig., 2 tabs

  4. Superconducting Bi-Sr-Ca-Cu-O thin films from metallo-organic complexes

    International Nuclear Information System (INIS)

    Gruber, H.; Krautz, E.; Fritzer, H.P.; Popitsch, A.

    1991-01-01

    Thin films in the Bi-Sr-Ca-Cu-O system are produced by decomposition of organic precursor compounds containing different metallo-organic complexes. The superconducting phase identified is Bi 2 Sr 2 CaCu 2 O 8+x on (100)-MgO single crystal substrates, polycrystalline Au- and Ag-ribbons and Bi 2 Sr 2 Ca 2 Cu 3 O 10+x on Ag-ribbons. For the 2212-phase a zero resistance temperature of 79 K is found. The 2223-samples on Ag-ribbons show a broad transition at 110 K with a zero resistance at 85 K. SEM and EDX are used for the detection of the microstructure and composition of the prepared films. (orig.)

  5. Characterizing a pulse-resolved dosimetry system for complex radiotherapy beams using organic scintillators

    DEFF Research Database (Denmark)

    Beierholm, Anders Ravnsborg; Ottosson, Rickard; Lindvold, Lars René

    2011-01-01

    A fast-readout dosimetry system based on fibre-coupled organic scintillators has been developed for the purpose of conducting point measurements of absorbed dose in radiotherapy beams involving high spatial and temporal dose gradients. The system measures the dose for each linac radiation pulse w...... and quality assurance of complex radiotherapy treatments.......A fast-readout dosimetry system based on fibre-coupled organic scintillators has been developed for the purpose of conducting point measurements of absorbed dose in radiotherapy beams involving high spatial and temporal dose gradients. The system measures the dose for each linac radiation pulse....... No significant differences between measurements and simulations were observed. The temporal resolution of the system was demonstrated by measuring dose per pulse, beam start-up transients and the quality factor for 6 MV. The precision of dose per pulse measurements was within 2.7% (1 SD) for a 10 cm × 10 cm...

  6. Thermophilic anaerobes in arctic marine sediments induced to mineralize complex organic matter at high temperature

    DEFF Research Database (Denmark)

    Hubert, Casey; Arnosti, Carol; Brüchert, Volker

    2010-01-01

    Marine sediments harbour diverse populations of dormant thermophilic bacterial spores that become active in sediment incubation experiments at much higher than in situ temperature. This response was investigated in the presence of natural complex organic matter in sediments of two Arctic fjords......, as well as with the addition of freeze-dried Spirulina or individual high-molecular-weight polysaccharides. During 50°C incubation experiments, Arctic thermophiles catalysed extensive mineralization of the organic matter via extracellular enzymatic hydrolysis, fermentation and sulfate reduction. This high...... reactivity determined the extent of the thermophilic response. Fjord sediments with higher in situ SRR also supported higher SRR at 50°C. Amendment with Spirulina significantly increased volatile fatty acids production and SRR relative to unamended sediment in 50°C incubations. Spirulina amendment also...

  7. The Formation of Complex Organic Compounds in Astrophysical Ices and their Implications for Astrobiology

    Science.gov (United States)

    Sandford, Scott A.

    2015-01-01

    Ices in astrophysical environments are generally dominated by very simple molecules like H2O, CH3OH, CH4, NH3, CO, CO2, etc, although they likely contain PAHs as well. These molecules, particularly H2O, are of direct interest to astrobiology in-and-of themselves since they represent some of the main carriers of the biogenic elements C, H, O, and N. In addition, these compounds are present in the dense interstellar clouds in which new stars and planetary systems are formed and may play a large role in the delivery of volatiles and organics to the surfaces of new planets. However, these molecules are all far simpler than the more complex organic compounds found in living systems.

  8. Bions: a family of biomimetic mineralo-organic complexes derived from biological fluids.

    Directory of Open Access Journals (Sweden)

    Cheng-Yeu Wu

    Full Text Available Mineralo-organic nanoparticles form spontaneously in human body fluids when the concentrations of calcium and phosphate ions exceed saturation. We have shown previously that these mineralo-organic nanoparticles possess biomimetic properties and can reproduce the whole phenomenology of the so-called nanobacteria-mineralized entities initially described as the smallest microorganisms on earth. Here, we examine the possibility that various charged elements and ions may form mineral nanoparticles with similar properties in biological fluids. Remarkably, all the elements tested, including sodium, magnesium, aluminum, calcium, manganese, iron, cobalt, nickel, copper, zinc, strontium, and barium form mineralo-organic particles with bacteria-like morphologies and other complex shapes following precipitation with phosphate in body fluids. Upon formation, these mineralo-organic particles, which we term bions, invariably accumulate carbonate apatite during incubation in biological fluids; yet, the particles also incorporate additional elements and thus reflect the ionic milieu in which they form. Bions initially harbor an amorphous mineral phase that gradually converts to crystals in culture. Our results show that serum produces a dual inhibition-seeding effect on bion formation. Using a comprehensive proteomic analysis, we identify a wide range of proteins that bind to these mineral particles during incubation in medium containing serum. The two main binding proteins identified, albumin and fetuin-A, act as both inhibitors and seeders of bions in culture. Notably, bions possess several biomimetic properties, including the possibility to increase in size and number and to be sub-cultured in fresh culture medium. Based on these results, we propose that bions represent biological, mineralo-organic particles that may form in the body under both physiological and pathological homeostasis conditions. These mineralo-organic particles may be part of a

  9. Life’s Order, Complexity, Organization, and Its Thermodynamic–Holistic Imperatives

    Directory of Open Access Journals (Sweden)

    Richard Egel

    2012-11-01

    Full Text Available In memoriam Jeffrey S. Wicken (1942–2002—the evolutionarily minded biochemist, who in the 1970/80s strived for a synthesis of biological and physical theories to fathom the tentative origins of life. Several integrative concepts are worth remembering from Wicken’s legacy. (i Connecting life’s origins and complex organization to a preexisting physical world demands a thermodynamically sound transition. (ii Energetic ‘charging’ of the prebiosphere must precede the emergence of biological organization. (iii Environmental energy gradients are exploited progressively, approaching maximum interactive structure and minimum dissipation. (iv Dynamic self-assembly of prebiotic organic matter is driven by hydrophobic tension between water and amphiphilic building blocks, such as aggregating peptides from non-polar amino acids and base stacking in nucleic acids. (v The dynamics of autocatalytic self-organization are facilitated by a multiplicity of weak interactions, such as hydrogen bonding, within and between macromolecular assemblies. (vi The coevolution of (initially uncoded proteins and nucleic acids in energy-coupled and metabolically active so-called ‘microspheres’ is more realistic as a kinetic transition model of primal biogenesis than ‘hypercycle replication’ theories for nucleic acid replicators on their own. All these considerations blend well with the current understanding that sunlight UV-induced photo-electronic excitation of colloidal metal sulfide particles appears most suitable as a prebiotic driver of organic synthesis reactions, in tight cooperation with organic, phase-separated, catalytic ‘microspheres’. On the ‘continuist vs. miraculist’ schism described by Iris Fry for origins-of-life considerations (Table 1, Wicken was a fervent early protagonist of holistic ‘continuist’ views and agenda.

  10. Implementing managerial innovations in primary care: can we rank change drivers in complex adaptive organizations?

    Science.gov (United States)

    Longo, Francesco

    2007-01-01

    There has been much innovation in primary care in the past few decades. Although external and systemic constraints for health care organizations are relevant for their managerial evolution, there is also evidence that organizations operating under the same external pressures reach different levels of maturity. Which of the internal drivers available explain and foster change? Is it possible to rank change drivers by looking at their rate of efficacy in order to define a general change management path in the relationship between managers and physicians? The study is a hypothesis-generating work, designed to discuss a framework, consistent with the complex adaptive systems literature, for more effective internal change management approaches. We employed a qualitative approach to conduct a multiple case study in order to directly observe the evidence and to ask "key change players" for their perceptions. We studied different organizations all subject to the same external constraints in order to focus on the effects of internal change drivers. According to key players' opinions, the main drivers for managerial development are characteristics of the actors involved: their motivation, leadership, and commitment; the quality of relationships among the main actors; and how the resources dedicated to manage change are used. Given these criteria, any organizational strategy and goal seems to be achievable. This is consistent with the suggestions coming from the complex adaptive system literature. MANAGERIAL IMPLICATIONS: Managers have to consider the management of the relationship with professionals as the key success factor for implementing change. Managerial leadership has to be diffused in the organization both in the vertical and horizontal dimensions. Innovations need a medium or long-term perspective to become widely applied, and this requires a strong commitment which is related to managerial stability. Resources for innovation are to be considered a critical driver

  11. Higher dimensional unitary braid matrices: Construction, associated structures and entanglements

    International Nuclear Information System (INIS)

    Abdesselam, B.; Chakrabarti, A.; Dobrev, V.K.; Mihov, S.G.

    2007-03-01

    We construct (2n) 2 x (2n) 2 unitary braid matrices R-circumflex for n ≥ 2 generalizing the class known for n = 1. A set of (2n) x (2n) matrices (I, J,K,L) are defined. R-circumflex is expressed in terms of their tensor products (such as K x J), leading to a canonical formulation for all n. Complex projectors P ± provide a basis for our real, unitary R-circumflex. Baxterization is obtained. Diagonalizations and block- diagonalizations are presented. The loss of braid property when R-circumflex (n > 1) is block-diagonalized in terms of R-circumflex (n = 1) is pointed out and explained. For odd dimension (2n + 1) 2 x (2n + 1) 2 , a previously constructed braid matrix is complexified to obtain unitarity. R-circumflexLL- and R-circumflexTT- algebras, chain Hamiltonians, potentials for factorizable S-matrices, complex non-commutative spaces are all studied briefly in the context of our unitary braid matrices. Turaev construction of link invariants is formulated for our case. We conclude with comments concerning entanglements. (author)

  12. The Grand Challenges of Organ Banking: Proceedings from the first global summit on complex tissue cryopreservation.

    Science.gov (United States)

    Lewis, Jedediah K; Bischof, John C; Braslavsky, Ido; Brockbank, Kelvin G M; Fahy, Gregory M; Fuller, Barry J; Rabin, Yoed; Tocchio, Alessandro; Woods, Erik J; Wowk, Brian G; Acker, Jason P; Giwa, Sebastian

    2016-04-01

    The first Organ Banking Summit was convened from Feb. 27 - March 1, 2015 in Palo Alto, CA, with events at Stanford University, NASA Research Park, and Lawrence Berkeley National Labs. Experts at the summit outlined the potential public health impact of organ banking, discussed the major remaining scientific challenges that need to be overcome in order to bank organs, and identified key opportunities to accelerate progress toward this goal. Many areas of public health could be revolutionized by the banking of organs and other complex tissues, including transplantation, oncofertility, tissue engineering, trauma medicine and emergency preparedness, basic biomedical research and drug discovery - and even space travel. Key remaining scientific sub-challenges were discussed including ice nucleation and growth, cryoprotectant and osmotic toxicities, chilling injury, thermo-mechanical stress, the need for rapid and uniform rewarming, and ischemia/reperfusion injury. A variety of opportunities to overcome these challenge areas were discussed, i.e. preconditioning for enhanced stress tolerance, nanoparticle rewarming, cyroprotectant screening strategies, and the use of cryoprotectant cocktails including ice binding agents. Copyright © 2015.

  13. Simultaneous quantification of dissolved organic carbon fractions and copper complexation using solid-phase extraction

    International Nuclear Information System (INIS)

    McElmurry, Shawn P.; Long, David T.; Voice, Thomas C.

    2010-01-01

    Trace metal cycling in natural waters is highly influenced by the amount and type of dissolved organic C (DOC). Although determining individual species of DOC is unrealistic, there has been success in classifying DOC by determining operationally defined fractions. However, current fractionation schemes do not allow for the simultaneous quantification of associated trace metals. Using operational classifications, a scheme was developed to fractionate DOC based on a set of seven solid-phase extraction (SPE) cartridges. The cartridges isolated fractions based on a range of specific mechanisms thought to be responsible for DOC aggregation in solution, as well as molecular weight. The method was evaluated to determine if it can identify differences in DOC characteristics, including differences in Cu-DOC complexation. Results are that: (1) cartridge blanks were low for both DOC and Cu, (2) differences are observed in the distribution of DOC amongst the fractions from various sources that are consistent with what is known about the DOC materials and the mechanisms operative for each cartridge, (3) when present as a free cation, Cu was not retained by non-cationic cartridges allowing the method to be used to assess Cu binding, (4) the capability of the method to provide quantitative assessment of Cu-DOC complexation was demonstrated for a variety of DOC standards, (5) Cu was found to preferentially bind with high molecular weight fractions of DOC, and (6) estimated partitioning coefficients and conditional binding constants for Cu were similar to those reported elsewhere. The method developed describes DOC characteristics based on specific bonding mechanisms (hydrogen, donor-acceptor, London dispersion, and ionic bonding) while simultaneously quantifying Cu-DOC complexation. The method provides researchers a means of describing not only the extent of DOC complexation but also how that complex will be behave in natural waters.

  14. Complexation of cadmium to sulfur and oxygen functional groups in an organic soil

    Science.gov (United States)

    Karlsson, Torbjörn; Elgh-Dalgren, Kristin; Björn, Erik; Skyllberg, Ulf

    2007-02-01

    Cadmium (Cd) is a toxic trace element and due to human activities soils and waters are contaminated by Cd both on a local and global scale. It is widely accepted that chemical interactions with functional groups of natural organic matter (NOM) is vital for the bioavailability and mobility of trace elements. In this study the binding strength of cadmium (Cd) to soil organic matter (SOM) was determined in an organic (49% organic C) soil as a function of reaction time, pH and Cd concentration. In experiments conducted at native Cd concentrations in soil (0.23 μg g -1 dry soil), halides (Cl, Br) were used as competing ligands to functional groups in SOM. The concentration of Cd in the aqueous phase was determined by isotope-dilution (ID) inductively-coupled-plasma-mass-spectrometry (ICP-MS), and the activity of Cd 2+ was calculated from the well-established Cd-halide constants. At higher Cd loading (500-54,000 μg g -1), the Cd 2+ activity was directly determined by an ion-selective electrode (ISE). On the basis of results from extended X-ray absorption fine structure (EXAFS) spectroscopy, a model with one thiolate group (RS -) was used to describe the complexation (Cd 2+ + RS - ⇆ CdSR +; log KCdSR) at native Cd concentrations. The concentration of thiols (RSH; 0.047 mol kg -1 C) was independently determined by X-ray absorption near-edge structure (XANES) spectroscopy. Log KCdSR values of 11.2-11.6 (p Ka for RSH = 9.96), determined in the pH range 3.1-4.6, compare favorably with stability constants for the association between Cd and well-defined thiolates like glutathione. In the concentration range 500-54,000 μg Cd g -1, a model consisting of one thiolate and one carboxylate (RCOO -) gave the best fit to data, indicating an increasing role for RCOOH groups as RSH groups become saturated. The determined log KCdOOCR of 3.2 (Cd 2+ + RCOO - ⇆ CdOOCR +; log KCdOOCR; p Ka for RCOOH = 4.5) is in accordance with stability constants determined for the association between

  15. Preservation of iron(II) by carbon-rich matrices in a hydrothermal plume

    Energy Technology Data Exchange (ETDEWEB)

    Toner, Brandy M.; Fakra, Sirine C.; Manganini, Steven J.; Santelli, Cara M.; Marcus, Matthew A.; Moffett, James W.; Rouxel, Olivier; German, Christopher R.; Edwards, Katrina J.

    2008-09-20

    Hydrothermal venting associated with mid-ocean ridge volcanism is globally widespread. This venting is responsible for a dissolved iron flux to the ocean that is approximately equal to that associated with continental riverine runoff. For hydrothermal fluxes, it has long been assumed that most of the iron entering the oceans is precipitated in inorganic forms. However, the possibility of globally significant fluxes of iron escaping these mass precipitation events and entering open-ocean cycles is now being debated, and two recent studies suggest that dissolved organic ligands might influence the fate of hydrothermally vented metals. Here we present spectromicroscopic measurements of iron and carbon in hydrothermal plume particles at the East Pacific Rise mid-ocean ridge. We show that organic carbon-rich matrices, containing evenly dispersed iron(II)-rich materials, are pervasive in hydrothermal plume particles. The absence of discrete iron(II) particles suggests that the carbon and iron associate through sorption or complexation. We suggest that these carbon matrices stabilize iron(II) released from hydrothermal vents in the region, preventing its oxidation and/or precipitation as insoluble minerals. Our findings have implications for deep-sea biogeochemical cycling of iron, a widely recognized limiting nutrient in the oceans.

  16. Challenging the dogma: the hidden layer of non-protein-coding RNAs in complex organisms.

    Science.gov (United States)

    Mattick, John S

    2003-10-01

    The central dogma of biology holds that genetic information normally flows from DNA to RNA to protein. As a consequence it has been generally assumed that genes generally code for proteins, and that proteins fulfil not only most structural and catalytic but also most regulatory functions, in all cells, from microbes to mammals. However, the latter may not be the case in complex organisms. A number of startling observations about the extent of non-protein-coding RNA (ncRNA) transcription in the higher eukaryotes and the range of genetic and epigenetic phenomena that are RNA-directed suggests that the traditional view of the structure of genetic regulatory systems in animals and plants may be incorrect. ncRNA dominates the genomic output of the higher organisms and has been shown to control chromosome architecture, mRNA turnover and the developmental timing of protein expression, and may also regulate transcription and alternative splicing. This paper re-examines the available evidence and suggests a new framework for considering and understanding the genomic programming of biological complexity, autopoietic development and phenotypic variation. Copyright 2003 Wiley Periodicals, Inc.

  17. Organic complexation of radionuclides in cement pore water: a case study

    International Nuclear Information System (INIS)

    Hummel, W.

    1993-01-01

    The influence of the organic ligands EDTA (ethylenediaminetetraacetate), NTA (nitrilotriacetate), citrate and oxalate on the speciation of Cs, Sr, Ra, Ni, Pd, Tc, Sn, Zr, Th, U, Np, Pu, Am and Cm in cement pore waters is studied by means of chemical equilibria. Emphasis is laid on the development of a complete and consistent thermodynamic data base for the high pH range beyond pH 11. Missing data are estimated using free-energy relationships derived from a large number of experimentally determined stability constants compiled from the literature. In case where a sound estimation of stability constants is not possible due to the scarcity of quantitative information, at least upper limits are assessed for the stability of all possibly important species. Chemical equilibria were computed within the range of pH 11 to 13 and a range of Ca concentrations from 0.001 to 0.1 mol -1 (M). ETDA complexes predominate only in the case of Ni. In all other cases, the competition of Ca-organic or metal-hydroxo complexes successfully prevent any significant influence of EDTA, NTA, citrate or oxalate on the speciation of these radionuclides. (author) 10 figs., 9 refs

  18. Sparse Matrices in Frame Theory

    DEFF Research Database (Denmark)

    Lemvig, Jakob; Krahmer, Felix; Kutyniok, Gitta

    2014-01-01

    Frame theory is closely intertwined with signal processing through a canon of methodologies for the analysis of signals using (redundant) linear measurements. The canonical dual frame associated with a frame provides a means for reconstruction by a least squares approach, but other dual frames...... yield alternative reconstruction procedures. The novel paradigm of sparsity has recently entered the area of frame theory in various ways. Of those different sparsity perspectives, we will focus on the situations where frames and (not necessarily canonical) dual frames can be written as sparse matrices...

  19. The Inverse of Banded Matrices

    Science.gov (United States)

    2013-01-01

    indexed entries all zeros. In this paper, generalizing a method of Mallik (1999) [5], we give the LU factorization and the inverse of the matrix Br,n (if it...r ≤ i ≤ r, 1 ≤ j ≤ r, with the remaining un-indexed entries all zeros. In this paper generalizing a method of Mallik (1999) [5...matrices and applications to piecewise cubic approximation, J. Comput. Appl. Math. 8 (4) (1982) 285–288. [5] R.K. Mallik , The inverse of a lower

  20. Fusion algebra and fusing matrices

    International Nuclear Information System (INIS)

    Gao Yihong; Li Miao; Yu Ming.

    1989-09-01

    We show that the Wilson line operators in topological field theories form a fusion algebra. In general, the fusion algebra is a relation among the fusing (F) matrices. In the case of the SU(2) WZW model, some special F matrix elements are found in this way, and the remaining F matrix elements are then determined up to a sign. In addition, the S(j) modular transformation of the one point blocks on the torus is worked out. Our results are found to agree with those obtained from the quantum group method. (author). 24 refs

  1. Transfer matrices for multilayer structures

    International Nuclear Information System (INIS)

    Baquero, R.

    1988-08-01

    We consider four of the transfer matrices defined to deal with multilayer structures. We deduce algorithms to calculate them numerically, in a simple and neat way. We illustrate their application to semi-infinite systems using SGFM formulae. These algorithms are of fast convergence and allow a calculation of bulk-, surface- and inner-layers band structure in good agreement with much more sophisticated calculations. Supermatrices, interfaces and multilayer structures can be calculated in this way with a small computational effort. (author). 10 refs

  2. Orthogonal polynomials and random matrices

    CERN Document Server

    Deift, Percy

    2000-01-01

    This volume expands on a set of lectures held at the Courant Institute on Riemann-Hilbert problems, orthogonal polynomials, and random matrix theory. The goal of the course was to prove universality for a variety of statistical quantities arising in the theory of random matrix models. The central question was the following: Why do very general ensembles of random n {\\times} n matrices exhibit universal behavior as n {\\rightarrow} {\\infty}? The main ingredient in the proof is the steepest descent method for oscillatory Riemann-Hilbert problems.

  3. Supramolecular chemistry: from molecular information towards self-organization and complex matter

    International Nuclear Information System (INIS)

    Lehn, Jean-Marie

    2004-01-01

    Molecular chemistry has developed a wide range of very powerful procedures for constructing ever more sophisticated molecules from atoms linked by covalent bonds. Beyond molecular chemistry lies supramolecular chemistry, which aims at developing highly complex chemical systems from components interacting via non-covalent intermolecular forces. By the appropriate manipulation of these interactions, supramolecular chemistry became progressively the chemistry of molecular information, involving the storage of information at the molecular level, in the structural features, and its retrieval, transfer, and processing at the supramolecular level, through molecular recognition processes operating via specific interactional algorithms. This has paved the way towards apprehending chemistry also as an information science. Numerous receptors capable of recognizing, i.e. selectively binding, specific substrates have been developed, based on the molecular information stored in the interacting species. Suitably functionalized receptors may perform supramolecular catalysis and selective transport processes. In combination with polymolecular organization, recognition opens ways towards the design of molecular and supramolecular devices based on functional (photoactive, electroactive, ionoactive, etc) components. A step beyond preorganization consists in the design of systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined supramolecular architectures by self-assembly from their components. Self-organization processes, directed by the molecular information stored in the components and read out at the supramolecular level through specific interactions, represent the operation of programmed chemical systems. They have been implemented for the generation of a variety of discrete functional architectures of either organic or inorganic nature. Self-organization processes also give access to advanced supramolecular materials, such as

  4. Implications of complex adaptive systems theory for interpreting research about health care organizations.

    Science.gov (United States)

    Jordon, Michelle; Lanham, Holly Jordan; Anderson, Ruth A; McDaniel, Reuben R

    2010-02-01

    Data about health care organizations (HCOs) are not useful until they are interpreted. Such interpretations are influenced by the theoretical lenses used by the researcher. Our purpose was to suggest the usefulness of theories of complex adaptive systems (CASs) in guiding research interpretation. Specifically, we addressed two questions: (1) What are the implications for interpreting research observations in HCOs of the fact that we are observing relationships among diverse agents? (2) What are the implications for interpreting research observations in HCOs of the fact that we are observing relationships among agents that learn? We defined diversity and learning and the implications of the non-linear relationships among agents from a CAS perspective. We then identified some common analytical practices that were problematic and may lead to conceptual and methodological errors. Then we described strategies for interpreting the results of research observations. We suggest that the task of interpreting research observations of HCOs could be improved if researchers take into account that the systems they study are CASs with non-linear relationships among diverse, learning agents. Our analysis points out how interpretation of research results might be shaped by the fact that HCOs are CASs. We described how learning is, in fact, the result of interactions among diverse agents and that learning can, by itself, reduce or increase agent diversity. We encouraged researchers to be persistent in their attempts to reason about complex systems and learn to attend not only to structures, but also to processes and functions of complex systems.

  5. Supramolecular architecture of metal-organic frameworks involving dinuclear copper paddle-wheel complexes.

    Science.gov (United States)

    Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas

    2013-12-15

    The two centrosymmetric dinuclear copper paddle-wheel complexes tetrakis(μ-4-hydroxybenzoato-κ(2)O:O')bis[aquacopper(II)] dimethylformamide disolvate dihydrate, [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I), and tetrakis(μ-4-methoxybenzoato-κ(2)O:O')bis[(dimethylformamide-κO)copper(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II), crystallize with half of the dinuclear paddle-wheel cage unit in the asymmetric unit and, in addition, complex (I) has one dimethylformamide (DMF) and one water solvent molecule in the asymmetric unit. In both (I) and (II), two Cu(II) ions are bridged by four syn,syn-η(1):η(1):μ carboxylate groups, showing a paddle-wheel cage-type structure with a square-pyramidal coordination geometry. The equatorial positions of (I) and (II) are occupied by the carboxylate groups of 4-hydroxy- and 4-methoxybenzoate ligands, and the axial positions are occupied by aqua and DMF ligands, respectively. The three-dimensional supramolecular metal-organic framework of (I) consists of three different R2(2)(20) and an R4(4)(36) ring motif formed via O-H···O and OW-HW···O hydrogen bonds. Complex (II) simply packs as molecular species.

  6. Atrazine sorption by hydroxy-interlayered clays and their organic complexes.

    Science.gov (United States)

    Indraratne, Srimathie P; Farenhorst, Annemieke; Goh, Tee Boon

    2008-01-01

    This study examined the sorption of atrazine by hydroxy-Fe interlayered montmorillonite (FeMt) and its hydroquinone (FeMtHQ), citrate (FeMtCt) and catechol (FeMtCC) complexes as well as by hydroxy-Al interlayered montmorillonite (AlMt) and its hydroquinone (AlMtHQ) and citrate (AlMtCt) complexes. Found among the clays were sorption distribution coefficients (K(d)) ranging from 24 to 123 mL g(-1) and maximum sorption (M) ranging from 2.2 to 16.8 microg g(-1). Both K(d) and M decreased in the order of FeMtCC > FeMtHQ > AlMtHQ > (AlMt = FeMt) > (AlMtCt = FeMtCt). The pH was negatively correlated with both K(d) (r = -0.90, p 0.96, p 0.94, p AlMt). This suggests that functional groups of Fe-OH and Al-OH in FeMt and AlMt reduced the available sorption sites for atrazine by making complexes with citrate ions while forming FeMtCt and AlMtCt. The atrazine was sorbed through the hydrophobic interactions with organic compound surfaces as well as through H-bonding and ionic bonding with clay-mineral surfaces.

  7. Existentialism and organization behaviour : How existentialism can have a contribution to complexity theory and sense-making

    NARCIS (Netherlands)

    Blomme, R.J.; Bornebroek te Lintelo, K.

    2012-01-01

    This article aims to develop a conception consisting of insights from complexity theory and additional notions from Weick’s sense-making theory and existentialism for examining organization behaviour.

  8. Chemistry by nanocatalysis: First example of a solid-supported RAPTA complex for organic reactions in aqueous medium

    KAUST Repository

    Garcí a-Garrido, Sergio E.; Francos, Javier; Cadierno, Victorio; Basset, Jean-Marie; Polshettiwar, Vivek

    2010-01-01

    , with no use at all of organic solvent during or after the reactions, and microwaves as an alternative energy source renders the synthetic processes reported herein "truly" green and sustainable. RAPTA's delight: A nano-RAPTA complex supported on silica

  9. Modeling and Analyzing Operational Decision-Making Synchronization of C2 Organization in Complex Environment

    Directory of Open Access Journals (Sweden)

    Zou Zhigang

    2013-01-01

    Full Text Available In order to improve capability of operational decision-making synchronization (ODMS in command and control (C2 organization, the paper puts forward that ODMS is the negotiation process of situation cognition with three phases about “situation cognition, situation interaction and decision-making synchronization” in complex environment, and then the model and strategies of ODMS are given in quantity. Firstly, measure indexes of three steps above are given in the paper based on the time consumed in negotiation, and three patterns are proposed for negotiating timely in high quality during situation interaction. Secondly, the ODMS model with two stages in continuous changing situation is put forward in the paper, and ODMS strategies are analyzed within environment influence and time restriction. Thirdly, simulation cases are given to validate the process of ODMS under different continuous changing situations the results of this model are better than the other previous models to fulfill the actual restrictions, and the process of ODMS can be adjusted more reasonable for improving the capability of ODMS. Then we discuss the case and summarize the influence factors of ODMS in the C2 organization as organization structure, shared information resources, negotiation patterns, and allocation of decision rights.

  10. Formation of mercury sulfide from Hg(II)−thiolate complexes in natural organic matter

    Science.gov (United States)

    Alain Manceau,; Cyprien Lemouchi,; Mironel Enescu,; Anne-Claire Gaillot,; Martine Lanson,; Valerie Magnin,; Pieter Glatzel,; Poulin, Brett; Ryan, Joseph N.; Aiken, George R.; Isabelle Gautier-Lunea,; Kathryn L. Nagy,

    2015-01-01

    Methylmercury is the environmental form of neurotoxic mercury that is biomagnified in the food chain. Methylation rates are reduced when the metal is sequestered in crystalline mercury sulfides or bound to thiol groups in macromolecular natural organic matter. Mercury sulfide minerals are known to nucleate in anoxic zones, by reaction of the thiol-bound mercury with biogenic sulfide, but not in oxic environments. We present experimental evidence that mercury sulfide forms from thiol-bound mercury alone in aqueous dark systems in contact with air. The maximum amount of nanoparticulate mercury sulfide relative to thiol-bound mercury obtained by reacting dissolved mercury and soil organic matter matches that detected in the organic horizon of a contaminated soil situated downstream from Oak Ridge, TN, in the United States. The nearly identical ratios of the two forms of mercury in field and experimental systems suggest a common reaction mechanism for nucleating the mineral. We identified a chemical reaction mechanism that is thermodynamically favorable in which thiol-bound mercury polymerizes to mercury–sulfur clusters. The clusters form by elimination of sulfur from the thiol complexes via breaking of mercury–sulfur bonds as in an alkylation reaction. Addition of sulfide is not required. This nucleation mechanism provides one explanation for how mercury may be immobilized, and eventually sequestered, in oxygenated surface environments.

  11. Using Enterprise Architecture for Analysis of a Complex Adaptive Organization's Risk Inducing Characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Salguero, Laura Marie [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Huff, Johnathon [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Matta, Anthony R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Collins, Sue S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-08-01

    Sandia National Laboratories is an organization with a wide range of research and development activities that include nuclear, explosives, and chemical hazards. In addition, Sandia has over 2000 labs and over 40 major test facilities, such as the Thermal Test Complex, the Lightning Test Facility, and the Rocket Sled Track. In order to support safe operations, Sandia has a diverse Environment, Safety, and Health (ES&H) organization that provides expertise to support engineers and scientists in performing work safely. With such a diverse organization to support, the ES&H program continuously seeks opportunities to improve the services provided for Sandia by using various methods as part of their risk management strategy. One of the methods being investigated is using enterprise architecture analysis to mitigate risk inducing characteristics such as normalization of deviance, organizational drift, and problems in information flow. This paper is a case study for how a Department of Defense Architecture Framework (DoDAF) model of the ES&H enterprise, including information technology applications, can be analyzed to understand the level of risk associated with the risk inducing characteristics discussed above. While the analysis is not complete, we provide proposed analysis methods that will be used for future research as the project progresses.

  12. Health risk assessment of volatile organic compounds exposure near Daegu dyeing industrial complex in South Korea.

    Science.gov (United States)

    Shuai, Jianfei; Kim, Sunshin; Ryu, Hyeonsu; Park, Jinhyeon; Lee, Chae Kwan; Kim, Geun-Bae; Ultra, Venecio U; Yang, Wonho

    2018-04-20

    Studying human health in areas with industrial contamination is a serious and complex issue. In recent years, attention has increasingly focused on the health implications of large industrial complexes. A variety of potential toxic chemicals have been produced during manufacturing processes and activities in industrial complexes in South Korea. A large number of dyeing industries gathered together in Daegu dyeing industrial complex. The residents near the industrial complex could be often exposed to volatile organic compounds. This study aimed to evaluate VOCs levels in the ambient air of DDIC, to assess the impact on human health risks, and to find more convincing evidences to prove these VOCs emitted from DDIC. According to deterministic risk assessment, inhalation was the most important route. Residential indoor, outdoor and personal exposure air VOCs were measured by passive samplers in exposed area and controlled area in different seasons. Satisfaction with ambient environments and self-reported diseases were also obtained by questionnaire survey. The VOCs concentrations in exposed area and controlled area was compared by t-test. The relationships among every VOC were tested by correlation. The values of hazard quotient (HQ) and life cancer risk were estimated. The concentrations of measured VOCs were presented, moreover, the variety of concentrations according the distances from the residential settings to the industrial complex site in exposed area. The residential indoor, outdoor, and personal exposure concentrations of toluene, DMF and chloroform in exposed area were significantly higher than the corresponding concentrations in controlled area both in summer and autumn. Toluene, DMF, chloroform and MEK had significantly positive correlations with each other in indoor and outdoor, and even in personal exposure. The HQ for DMF exceeded 1, and the life cancer risk of chloroform was greater than 10 - 4 in exposed area. The prevalence of respiratory diseases

  13. Contaminant Organic Complexes: Their Structure and Energetics in Surface Decontamination Processes

    International Nuclear Information System (INIS)

    Satish C. B. Myneni

    2005-01-01

    case of Fe(III)-siderophore complexes and model ligands. Soft and hard X-ray spectroscopy techniques were used to examine the electronic structure of binding groups, and their local structural environment. The synchrotron X-ray studies were conducted at the Stanford Synchrotron Radiation Laboratory and at the Advanced Light Source (Lawrence Berkeley National Laboratory). These experimental vibrational and X-ray spectroscopy studies were complemented with density functional theory calculations. The highlight of this study is the evaluation of the fundamental electronic state information of the hydroxamate moiety in siderophores during deprotonation and Fe(III) complexation. The applications of soft X-ray studies are also new, and were applied, for the first time, to examine the chemistry of organic macromolecules in aqueous solutions

  14. Hypercyclic Abelian Semigroups of Matrices on Cn

    International Nuclear Information System (INIS)

    Ayadi, Adlene; Marzougui, Habib

    2010-07-01

    We give a complete characterization of existence of dense orbit for any abelian semigroup of matrices on C n . For finitely generated semigroups, this characterization is explicit and is used to determine the minimal number of matrices in normal form over C which forms a hypercyclic abelian semigroup on C n . In particular, we show that no abelian semigroup generated by n matrices on C n can be hypercyclic. (author)

  15. Simulation model 'methane' as a tool for effective biogas production during anaerobic conversion of complex organic matter

    Energy Technology Data Exchange (ETDEWEB)

    Vavilin, V A; Vasiliev, V B; Ponomarev, A V; Rytow, S V [Russian Academy of Sciences, Moscow (Russian Federation). Water Problems Inst.

    1994-01-01

    A universal basic model of anaerobic conversion of complex organic material is suggested. The model can be used for investigating the start-up experiments for food industry wastewater. General results obtained in the model agreed with the experimental data. An explanation of a complex dynamic behaviour of the anaerobic system is suggested. (author)

  16. The Effects of Different Types of Text and Individual Differences on View Complexity about Genetically Modified Organisms

    Science.gov (United States)

    Dinsmore, Daniel L.; Zoellner, Brian P.; Parkinson, Meghan M.; Rossi, Anthony M.; Monk, Mary J.; Vinnachi, Jenelle

    2017-01-01

    View change about socio-scientific issues has been well studied in the literature, but the change in the complexity of those views has not. In the current study, the change in the complexity of views about a specific scientific topic (i.e. genetically modified organisms; GMOs) and use of evidence in explaining those views was examined in relation…

  17. Lambda-matrices and vibrating systems

    CERN Document Server

    Lancaster, Peter; Stark, M; Kahane, J P

    1966-01-01

    Lambda-Matrices and Vibrating Systems presents aspects and solutions to problems concerned with linear vibrating systems with a finite degrees of freedom and the theory of matrices. The book discusses some parts of the theory of matrices that will account for the solutions of the problems. The text starts with an outline of matrix theory, and some theorems are proved. The Jordan canonical form is also applied to understand the structure of square matrices. Classical theorems are discussed further by applying the Jordan canonical form, the Rayleigh quotient, and simple matrix pencils with late

  18. Flexible Bayesian Dynamic Modeling of Covariance and Correlation Matrices

    KAUST Repository

    Lan, Shiwei

    2017-11-08

    Modeling covariance (and correlation) matrices is a challenging problem due to the large dimensionality and positive-definiteness constraint. In this paper, we propose a novel Bayesian framework based on decomposing the covariance matrix into variance and correlation matrices. The highlight is that the correlations are represented as products of vectors on unit spheres. We propose a variety of distributions on spheres (e.g. the squared-Dirichlet distribution) to induce flexible prior distributions for covariance matrices that go beyond the commonly used inverse-Wishart prior. To handle the intractability of the resulting posterior, we introduce the adaptive $\\\\Delta$-Spherical Hamiltonian Monte Carlo. We also extend our structured framework to dynamic cases and introduce unit-vector Gaussian process priors for modeling the evolution of correlation among multiple time series. Using an example of Normal-Inverse-Wishart problem, a simulated periodic process, and an analysis of local field potential data (collected from the hippocampus of rats performing a complex sequence memory task), we demonstrated the validity and effectiveness of our proposed framework for (dynamic) modeling covariance and correlation matrices.

  19. Radical S-adenosylmethionine (SAM) enzymes in cofactor biosynthesis: a treasure trove of complex organic radical rearrangement reactions.

    Science.gov (United States)

    Mehta, Angad P; Abdelwahed, Sameh H; Mahanta, Nilkamal; Fedoseyenko, Dmytro; Philmus, Benjamin; Cooper, Lisa E; Liu, Yiquan; Jhulki, Isita; Ealick, Steven E; Begley, Tadhg P

    2015-02-13

    In this minireview, we describe the radical S-adenosylmethionine enzymes involved in the biosynthesis of thiamin, menaquinone, molybdopterin, coenzyme F420, and heme. Our focus is on the remarkably complex organic rearrangements involved, many of which have no precedent in organic or biological chemistry. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  20. Influence of temperature and light intensity on Ru(II) complex based organic-inorganic device

    International Nuclear Information System (INIS)

    Asubay, Sezai; Durap, Feyyaz; Aydemir, Murat; Baysal, Akin; Ocak, Yusuf Selim; Tombak, Ahmet

    2016-01-01

    An organic-inorganic junction was fabricated by forming [Ru(Cy_2PNHCH_2-C_4H_3O)(η"6-p-cymene)Cl_2] complex thin film using spin coating technique on n-Si and evaporating Au metal on the film. It was seen that the structure had perfect rectification property. Current-voltage (I-V) measurements were carried out in dark and under various illumination conditions (between 50-100 mW/cm"2) and with the temperature range from 303 to 380 K. The structure showed unusually forward and reverse bias temperature and light sensing behaviors. It was seen that the current both in forward and reverse bias increased with the increase in light intensity and temperature.

  1. Aza-crown ether complex cation ionic liquids: preparation and applications in organic reactions.

    Science.gov (United States)

    Song, Yingying; Cheng, Chen; Jing, Huanwang

    2014-09-26

    Aza-crown ether complex cation ionic liquids (aCECILs) were devised, fabricated, and characterized by using NMR spectroscopy, MS, thermogravimetric differential thermal analysis (TG-DTA), elemental analysis and physical properties. These new and room-temperature ILs were utilized as catalysts in various organic reactions, such as the cycloaddition reaction of CO2 to epoxides, esterification of acetic acid and alcohols, the condensation reaction of aniline and propylene carbonate, and Friedel-Crafts alkylation of indole with aldehydes were investigated carefully. In these reactions, the ionic liquid exhibited cooperative catalytic activity between the anion and cation. In addition, the aza-[18-C-6HK][HSO4]2 was the best acidic catalyst in the reactions of esterification and Friedel-Crafts alkylation under mild reaction conditions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Tunable blue organic light emitting diode based on aluminum calixarene supramolecular complex

    Science.gov (United States)

    Legnani, C.; Reyes, R.; Cremona, M.; Bagatin, I. A.; Toma, H. E.

    2004-07-01

    In this letter, the results of supramolecular organic light emitting diodes using a calix[4] arene complex thin film as emitter and electron transporting layer are presented. The devices were grown onto glass substrates coated with indium-tin-oxide layer and aluminum thick (150nm) cathode. By applying a dc voltage between the device electrodes in forward bias condition, a blue light emission in the active area of the device was observed. It was found that the electroluminescent emission peak can be tuned between 470 and 510nm changing the applied voltage bias from 4.3 to 5.4V. The observed tunable emission can be associated with an energy transfer from the calixarene compound.

  3. Complex organic molecules toward low-mass and high-mass star forming regions

    Science.gov (United States)

    Favre, C.; Ceccarelli, C.; Lefloch, B.; Bergin, E.; Carvajal, M.; Brouillet, N.; Despois, D.; Jørgensen, J.; Kleiner, I.

    2016-12-01

    One of the most important questions in molecular astrophysics is how, when, and where complex organic molecules, COMs (≥ 6 atoms) are formed. In the Interstellar-Earth connection context, could this have a bearing on the origin of life on Earth? Formation mechanisms of COMs, which include potentially prebiotic molecules, are still debated and may include grain-mantle and/or gas-phase chemistry. Understanding the mechanisms that lead to the interstellar molecular complexification, along with the involved physicochemical processes, is mandatory to answer the above questions. In that context, active researches are ongoing in theory, laboratory experiment, chemical modeling and observations. Thanks to recent progress in radioastronomy instrumentation for both single-dish and millimeter array (e.g. Herschel, NOEMA, ALMA), new results have been obtained. I will review some notable results on the detection of COMs, including prebiotic molecules, towards star forming regions.

  4. Mathematical model and coordination algorithms for ensuring complex security of an organization

    Science.gov (United States)

    Novoseltsev, V. I.; Orlova, D. E.; Dubrovin, A. S.; Irkhin, V. P.

    2018-03-01

    The mathematical model of coordination when ensuring complex security of the organization is considered. On the basis of use of a method of casual search three types of algorithms of effective coordination adequate to mismatch level concerning security are developed: a coordination algorithm at domination of instructions of the coordinator; a coordination algorithm at domination of decisions of performers; a coordination algorithm at parity of interests of the coordinator and performers. Assessment of convergence of the algorithms considered above it was made by carrying out a computing experiment. The described algorithms of coordination have property of convergence in the sense stated above. And, the following regularity is revealed: than more simply in the structural relation the algorithm, for the smaller number of iterations is provided to those its convergence.

  5. Organic iron (III) complexing ligands during an iron enrichment experiment in the western subarctic North Pacific

    Science.gov (United States)

    Kondo, Yoshiko; Takeda, Shigenobu; Nishioka, Jun; Obata, Hajime; Furuya, Ken; Johnson, William Keith; Wong, C. S.

    2008-06-01

    Complexation of iron (III) with natural organic ligands was investigated during a mesoscale iron enrichment experiment in the western subarctic North Pacific (SEEDS II). After the iron infusions, ligand concentrations increased rapidly with subsequent decreases. While the increases of ligands might have been partly influenced by amorphous iron colloids formation (12-29%), most in-situ increases were attributable to the Dilution of the fertilized patch may have contributed to the rapid decreases of the ligands. During the bloom decline, ligand concentration increased again, and the high concentrations persisted for 10 days. The conditional stability constant was not different between inside and outside of the fertilized patch. These results suggest that the chemical speciation of the released iron was strongly affected by formation of the ligands; the production of ligands observed during the bloom decline will strongly impact the iron cycle and bioavailability in the surface water.

  6. Improved efficiency of organic light-emitting diodes based on a europium complex by fluorescent dye

    Energy Technology Data Exchange (ETDEWEB)

    You Han [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Graduate School of Chinese Academy of Sciences, Changchun 130022 (China); Fang Junfeng [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Graduate School of Chinese Academy of Sciences, Changchun 130022 (China); Gao Jia [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Graduate School of Chinese Academy of Sciences, Changchun 130022 (China); Ma Dongge [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Graduate School of Chinese Academy of Sciences, Changchun 130022 (China)]. E-mail: mdg1014@ciac.jl.cn

    2007-01-15

    Improved efficiency of organic light-emitting diodes (OLEDs) based on europium complexes have been realized by using a fluorescent dye 4-(dicyanomethylene)-2-t-butyl-6 (1,1,7,7-tetramethyljulolidyl-9-enyl))-4H-pyran (DCJTB) doping .The luminous efficiency of the devices with a fluorescent dye in the emissive layer was found to improve two times of that in devices without fluorescent dye. The devices showed pure red light, which is the characteristic emission of trivalent europium ion with a full-width at half-maximum of 3 nm.The maximum brightness and luminous efficiency reached 1200 cd/m{sup 2} at 23 V and 7.3 cd/A (2.0 lm/w), respectively, at a current density of 0.35 mA/cm{sup 2}.

  7. Searching for Bio-Precursors and Complex Organic Molecules in Space using the GBT

    Science.gov (United States)

    Cordiner, M.; Charnley, S.; Kisiel, Z.

    2012-01-01

    Using the latest microwave receiver technology, large organic molecules with abundances as low as approx. 10(exp -11) times that of molecular hydrogen are detectable in cold interstellar clouds via their rotational emission line spectra. We report new observations to search for complex molecules, including molecules of possible pre-biotic importance, using the newly-commissioned Kband focal plane array (KFPA) of the NRAO Robert C. Byrd Green Bank Telescope. Spectra are presented of the dense molecular cloud TMC-1, showing strict upper limits on the level of emission from nitrogen-bearing rings pyrimidine, quinoline and iso-quinoline, carbon-chain oxides C60, C70, HC60 and HC70, and the carbon-chain anion C4H-. The typical RMS brightness temperature noise levels we achieved are approx. 1 mK at around 20 GHz.

  8. Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex

    Science.gov (United States)

    Qian, Cheng; Kong, Fang; Mao, Jiang-Gao

    2016-06-01

    A series of vanadium selenites covalently bonded with metal-organic complex, namely, Ni(2,2-bipy)2V2O4(SeO3)2 (1), Cu(2,2-bipy)V2O4(SeO3)2·0.5H2O (2) and Cu2(2,2-bipy)2V5O12(SeO3)2 (3) (2,2-bipy=2,2-bipyridine) have been hydrothermally synthesized and structurally characterized. They exhibit three different structural dimensions, from 0D cluster, 1D chain to 2D layer. Compound 1 features a 0D {Ni(2,2-bipy)2V2O4(SeO3)2}2 dimeric cluster composed of two {Ni(2,2-bipy)2}2+ moieties connected by the {V4O8(SeO3)4}4- cluster. Compound 2 shows a 1D {Cu(2,2-bipy)V2O4(SeO3)2}n chain in which the {Cu2(2,2-bipy)2}4+ moieties are bridged by the {V4O8(SeO3)4}4- clusters. Compound 3 displays a 2D structure consisted of mixed valence vanadium selenites layers {VIVVV4SeIV2O18}n4- and {Cu(2,2-bipy)}2+ complex moieties. The adjacent layers are further interconnected via π-π interactions between the 2,2-bipy ligands exhibiting an interesting 3D supramolecular architecture. Both compound 1 and 2 contain a new {V4O8(SeO3)4}4- cluster and compound 3 exhibits the first 2D vanadate polyhedral layer in vanadium selenites/tellurites with organic moieties.

  9. Mobility and leachability of zinc in two soils treated with six organic zinc complexes.

    Science.gov (United States)

    Alvarez, J M; Novillo, J; Obrador, A; López-Valdivia, L M

    2001-08-01

    A study of soil columns was conducted to evaluate Zn movement potential in two reconstructed soil profiles. Zn-phenolate, Zn-EDDHA, Zn-EDTA, Zn-lignosulfonate, Zn-polyflavonoid, and Zn-heptagluconate were applied in the upper zone of the column. The different physicochemical properties of the two soils and the micronutrient source may influence Zn leaching, the distribution of Zn among soil fractions, and the Zn available to the plant in the depth of the layers. In Aquic Haploxeralf soil, the application of six fertilizers produced little migration and very small leaching of Zn in the soil profiles. In Calcic Haploxeralf soil, Zn-EDTA migrated and was distributed throughout the soil columns. This Zn chelate produces a loss of Zn by leaching, which was 36% of the added Zn. In the latter soil, Zn leached very little with the other five fertilizer treatments. The same as for these organic Zn complexes, the retention of added Zn indicated the potential of metal accumulation in the A(p) horizons of the two soil profiles. A large portion of applied Zn was available to plants [diethylenetriaminepentaacetic acid (DTPA) and Mehlich-3 extractable Zn] in the depths reached by the different commercial formulations. The relationship between the two methods was highly significant (Mehlich-3-Zn = 1.25 + 1.13 DTPA-Zn, R(2) = 99.19%). When Zn was added as Zn-EDTA, the amounts of the most labile fractions (water-soluble plus exchangeable and organically complexed Zn) increased throughout the entire profile column in comparison with the control columns, although in the B(t) horizon of the Aquic Haploxeralf soil they increased only slightly.

  10. FORMATION AND RECONDENSATION OF COMPLEX ORGANIC MOLECULES DURING PROTOSTELLAR LUMINOSITY OUTBURSTS

    International Nuclear Information System (INIS)

    Taquet, Vianney; Wirström, Eva S.; Charnley, Steven B.

    2016-01-01

    During the formation of stars, the accretion of surrounding material toward the central object is thought to undergo strong luminosity outbursts followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas-phase formation and recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas-phase chemical network forming COMs in which ammonia plays a key role. The model calculations presented here demonstrate that ion–molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas-phase reaction branching ratios. In spite of the short outburst timescales of about 100 years, abundance ratios of the considered species higher than 10% with respect to methanol are predicted during outbursts due to their low binding energies relative to water and methanol which delay their recondensation during cooling. Although the current luminosity of most embedded protostars would be too low to produce complex organics in the hot-core regions that are observable with current sub-millimetric interferometers, previous luminosity outburst events would induce the formation of COMs in extended regions of protostellar envelopes with sizes increasing by up to one order of magnitude

  11. Escherichia coli biofilms have an organized and complex extracellular matrix structure.

    Science.gov (United States)

    Hung, Chia; Zhou, Yizhou; Pinkner, Jerome S; Dodson, Karen W; Crowley, Jan R; Heuser, John; Chapman, Matthew R; Hadjifrangiskou, Maria; Henderson, Jeffrey P; Hultgren, Scott J

    2013-09-10

    Bacterial biofilms are ubiquitous in nature, and their resilience is derived in part from a complex extracellular matrix that can be tailored to meet environmental demands. Although common developmental stages leading to biofilm formation have been described, how the extracellular components are organized to allow three-dimensional biofilm development is not well understood. Here we show that uropathogenic Escherichia coli (UPEC) strains produce a biofilm with a highly ordered and complex extracellular matrix (ECM). We used electron microscopy (EM) techniques to image floating biofilms (pellicles) formed by UPEC. EM revealed intricately constructed substructures within the ECM that encase individual, spatially segregated bacteria with a distinctive morphology. Mutational and biochemical analyses of these biofilms confirmed curli as a major matrix component and revealed important roles for cellulose, flagella, and type 1 pili in pellicle integrity and ECM infrastructure. Collectively, the findings of this study elucidated that UPEC pellicles have a highly organized ultrastructure that varies spatially across the multicellular community. Bacteria can form biofilms in diverse niches, including abiotic surfaces, living cells, and at the air-liquid interface of liquid media. Encasing these cellular communities is a self-produced extracellular matrix (ECM) that can be composed of proteins, polysaccharides, and nucleic acids. The ECM protects biofilm bacteria from environmental insults and also makes the dissolution of biofilms very challenging. As a result, formation of biofilms within humans (during infection) or on industrial material (such as water pipes) has detrimental and costly effects. In order to combat bacterial biofilms, a better understanding of components required for biofilm formation and the ECM is required. This study defined the ECM composition and architecture of floating pellicle biofilms formed by Escherichia coli.

  12. Formation and Recondensation of Complex Organic Molecules during Protostellar Luminosity Outbursts

    Science.gov (United States)

    Taquet, Vianney; Wirström, Eva S.; Charnley, Steven B.

    2016-04-01

    During the formation of stars, the accretion of surrounding material toward the central object is thought to undergo strong luminosity outbursts followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas-phase formation and recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas-phase chemical network forming COMs in which ammonia plays a key role. The model calculations presented here demonstrate that ion-molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas-phase reaction branching ratios. In spite of the short outburst timescales of about 100 years, abundance ratios of the considered species higher than 10% with respect to methanol are predicted during outbursts due to their low binding energies relative to water and methanol which delay their recondensation during cooling. Although the current luminosity of most embedded protostars would be too low to produce complex organics in the hot-core regions that are observable with current sub-millimetric interferometers, previous luminosity outburst events would induce the formation of COMs in extended regions of protostellar envelopes with sizes increasing by up to one order of magnitude.

  13. Synthesis and characterization of the europium (III) complex as an organic luminescent material

    International Nuclear Information System (INIS)

    Zhuo Zuliang; Zhang Fujun; Xu Zheng; Lu Lifang; Li Junming; Wang Yongsheng; Lv Yuguang

    2010-01-01

    The red emission organic material Eu(coumarin) 3 ·2H 2 O complex was synthesized and its morphology, energy level alignment and luminescence characteristics were studied by using scanning electron microscopy, Fourier transform infrared spectra, cyclic voltammetry and ultraviolet-visible absorption spectra and fluorescence spectra. Eu(coumarin) 3 ·2H 2 O shows bright red emission originating from Eu 3+ ions under 345 nm light excitation. The luminescence lifetime of Eu 3+ in this complex is about 580 μs. To improve the quality of Eu(coumarin) 3 ·2H 2 O thin films, Eu(coumarin) 3 ·2H 2 O was doped with a poly(N-vinylcarbazole) (PVK) solution. The organic materials 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (BCP) and aluminum quinoline (Alq 3 ) were used as hole-blocking and electron-transporting layers in our fabricated electroluminescence (EL) devices on indium tin oxide (ITO) substrates, respectively. The EL devices ITO/poly-(3,4-ethylenedioxythiophene):poly-(styrenesulphonic acid) (PEDOT:PSS)/emitting layer (PVK:Eu)/BCP/Alq 3 /Al were fabricated, and EL spectra were measured under different driving voltages. There is one emission peaking at 490 nm in addition to the characteristic emission peaks of Eu 3+ , which should be attributed to the spectral overlap between the PVK emission and electroplex emission originating from PVK and BCP interfaces. This explanation can be positively supported by the dependence of the EL spectral variation of ITO/ PVK/BCP/Alq 3 /Al devices on the driving voltage.

  14. Synthesis and characterization of the europium (III) complex as an organic luminescent material

    Science.gov (United States)

    Zhuo, Zuliang; Zhang, Fujun; Lv, Yuguang; Xu, Zheng; Lu, Lifang; Li, Junming; Wang, Yongsheng

    2010-11-01

    The red emission organic material Eu(coumarin)3·2H2O complex was synthesized and its morphology, energy level alignment and luminescence characteristics were studied by using scanning electron microscopy, Fourier transform infrared spectra, cyclic voltammetry and ultraviolet-visible absorption spectra and fluorescence spectra. Eu(coumarin)3·2H2O shows bright red emission originating from Eu3+ ions under 345 nm light excitation. The luminescence lifetime of Eu3+ in this complex is about 580 μs. To improve the quality of Eu(coumarin)3·2H2O thin films, Eu(coumarin)3·2H2O was doped with a poly(N-vinylcarbazole) (PVK) solution. The organic materials 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (BCP) and aluminum quinoline (Alq3) were used as hole-blocking and electron-transporting layers in our fabricated electroluminescence (EL) devices on indium tin oxide (ITO) substrates, respectively. The EL devices ITO/poly-(3,4-ethylenedioxythiophene):poly-(styrenesulphonic acid) (PEDOT:PSS)/emitting layer (PVK:Eu)/BCP/Alq3/Al were fabricated, and EL spectra were measured under different driving voltages. There is one emission peaking at 490 nm in addition to the characteristic emission peaks of Eu3+, which should be attributed to the spectral overlap between the PVK emission and electroplex emission originating from PVK and BCP interfaces. This explanation can be positively supported by the dependence of the EL spectral variation of ITO/ PVK/BCP/Alq3/Al devices on the driving voltage.

  15. Synthesis and characterization of the europium (III) complex as an organic luminescent material

    Energy Technology Data Exchange (ETDEWEB)

    Zhuo Zuliang; Zhang Fujun; Xu Zheng; Lu Lifang; Li Junming; Wang Yongsheng [Key Laboratory of Luminescence and Optical Information (Beijing Jiaotong University), Ministry of Education, Beijing 100044 (China); Lv Yuguang, E-mail: fjzhang@bjtu.edu.c [The Provincial Key Laboratory of Biomaterials, College of Chemistry and Pharmacy, Jiamusi University, Jiamusi 154007 (China)

    2010-11-15

    The red emission organic material Eu(coumarin){sub 3{center_dot}}2H{sub 2}O complex was synthesized and its morphology, energy level alignment and luminescence characteristics were studied by using scanning electron microscopy, Fourier transform infrared spectra, cyclic voltammetry and ultraviolet-visible absorption spectra and fluorescence spectra. Eu(coumarin){sub 3{center_dot}}2H{sub 2}O shows bright red emission originating from Eu{sup 3+} ions under 345 nm light excitation. The luminescence lifetime of Eu{sup 3+} in this complex is about 580 {mu}s. To improve the quality of Eu(coumarin){sub 3{center_dot}}2H{sub 2}O thin films, Eu(coumarin){sub 3{center_dot}}2H{sub 2}O was doped with a poly(N-vinylcarbazole) (PVK) solution. The organic materials 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (BCP) and aluminum quinoline (Alq{sub 3}) were used as hole-blocking and electron-transporting layers in our fabricated electroluminescence (EL) devices on indium tin oxide (ITO) substrates, respectively. The EL devices ITO/poly-(3,4-ethylenedioxythiophene):poly-(styrenesulphonic acid) (PEDOT:PSS)/emitting layer (PVK:Eu)/BCP/Alq{sub 3}/Al were fabricated, and EL spectra were measured under different driving voltages. There is one emission peaking at 490 nm in addition to the characteristic emission peaks of Eu{sup 3+}, which should be attributed to the spectral overlap between the PVK emission and electroplex emission originating from PVK and BCP interfaces. This explanation can be positively supported by the dependence of the EL spectral variation of ITO/ PVK/BCP/Alq{sub 3}/Al devices on the driving voltage.

  16. FORMATION AND RECONDENSATION OF COMPLEX ORGANIC MOLECULES DURING PROTOSTELLAR LUMINOSITY OUTBURSTS

    Energy Technology Data Exchange (ETDEWEB)

    Taquet, Vianney [Leiden Observatory, Leiden University, P.O. Box 9513, 2300-RA Leiden (Netherlands); Wirström, Eva S. [Department of Earth and Space Sciences, Chalmers University of Technology, Onsala Space Observatory, SE-439 92 Onsala (Sweden); Charnley, Steven B. [Astrochemistry Laboratory and The Goddard Center for Astrobiology, Mailstop 691, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20770 (United States)

    2016-04-10

    During the formation of stars, the accretion of surrounding material toward the central object is thought to undergo strong luminosity outbursts followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas-phase formation and recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas-phase chemical network forming COMs in which ammonia plays a key role. The model calculations presented here demonstrate that ion–molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas-phase reaction branching ratios. In spite of the short outburst timescales of about 100 years, abundance ratios of the considered species higher than 10% with respect to methanol are predicted during outbursts due to their low binding energies relative to water and methanol which delay their recondensation during cooling. Although the current luminosity of most embedded protostars would be too low to produce complex organics in the hot-core regions that are observable with current sub-millimetric interferometers, previous luminosity outburst events would induce the formation of COMs in extended regions of protostellar envelopes with sizes increasing by up to one order of magnitude.

  17. New cyclometalated iridium(III) complex as a phosphorescent dopant in organic light emitting devices

    Science.gov (United States)

    Ivanov, P.; Tomova, R.; Petrova, P.; Stanimirov, S.; Petkov, I.

    2014-05-01

    A new cyclometalated iridium (III) bis[2-(4-chlorophenyl)benzothiazolato-N,C2]-acetylacetonate, (Cl-bt)2Ir(acac), was synthesized and identified by 1H NMR and elemental analysis. The application was studied of the new compound as a dopant in the hole transporting layer (HTL) of the following organic light emitting diode (OLED) structure: HTL/EL/ETL, where HTL was 4,4'-bis(9H-carbazol-9-yl)biphenyl (CBP) or N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine (TPD), incorporated in a poly(N-vinylcarbazole) (PVK) matrix; EL was an electroluminescent layer of bis(8-hydroxy-2-methylquinoline)-(4-phenylpheno-xy) aluminum (BAlq); and ETL was an electron-transporting layer of bis[2-(2-benzothiazoly) phenolato]zinc(II) (Zn(btz)2). We established that the electroluminescence spectra of the OLEDs at different dopant concentrations were basically the sum of the greenish-blue emission of BAlq and the yellowish-green emission of the Ir complex. It was also found that increasing the dopant concentration resulted in an increase in the relative electroluminescent intensity of the Ir complex emission, while that of BAlq decreased, thus a fine tuning of the OLED color was observed.

  18. Geometric triangular chiral hexagon crystal-like complexes organization in pathological tissues biological collision order.

    Directory of Open Access Journals (Sweden)

    Jairo A Díaz

    Full Text Available The present study describes and documents self-assembly of geometric triangular chiral hexagon crystal like complex organizations (GTCHC in human pathological tissues. The authors have found this architectural geometric expression at macroscopic and microscopic levels mainly in cancer processes. This study is based essentially on macroscopic and histopathologic analyses of 3000 surgical specimens: 2600 inflammatory lesions and 400 malignant tumours. Geometric complexes identified photographically at macroscopic level were located in the gross surgical specimen, and these areas were carefully dissected. Samples were taken to carry out histologic analysis. Based on the hypothesis of a collision genesis mechanism and because it is difficult to carry out an appropriate methodological observation in biological systems, the authors designed a model base on other dynamic systems to obtain indirect information in which a strong white flash wave light discharge, generated by an electronic device, hits over the lines of electrical conductance structured in helicoidal pattern. In their experimental model, the authors were able to reproduce and to predict polarity, chirality, helicoid geometry, triangular and hexagonal clusters through electromagnetic sequential collisions. They determined that similar events among constituents of extracelular matrix which drive and produce piezoelectric activity are responsible for the genesis of GTCHC complexes in pathological tissues. This research suggests that molecular crystals represented by triangular chiral hexagons derived from a collision-attraction event against collagen type I fibrils emerge at microscopic and macroscopic scales presenting a lateral assembly of each side of hypertrophy helicoid fibers, that represent energy flow in cooperative hierarchically chiral electromagnetic interaction in pathological tissues and arises as a geometry of the equilibrium in perturbed biological systems. Further

  19. Geometric triangular chiral hexagon crystal-like complexes organization in pathological tissues biological collision order.

    Science.gov (United States)

    Díaz, Jairo A; Jaramillo, Natalia A; Murillo, Mauricio F

    2007-12-12

    The present study describes and documents self-assembly of geometric triangular chiral hexagon crystal like complex organizations (GTCHC) in human pathological tissues. The authors have found this architectural geometric expression at macroscopic and microscopic levels mainly in cancer processes. This study is based essentially on macroscopic and histopathologic analyses of 3000 surgical specimens: 2600 inflammatory lesions and 400 malignant tumours. Geometric complexes identified photographically at macroscopic level were located in the gross surgical specimen, and these areas were carefully dissected. Samples were taken to carry out histologic analysis. Based on the hypothesis of a collision genesis mechanism and because it is difficult to carry out an appropriate methodological observation in biological systems, the authors designed a model base on other dynamic systems to obtain indirect information in which a strong white flash wave light discharge, generated by an electronic device, hits over the lines of electrical conductance structured in helicoidal pattern. In their experimental model, the authors were able to reproduce and to predict polarity, chirality, helicoid geometry, triangular and hexagonal clusters through electromagnetic sequential collisions. They determined that similar events among constituents of extracelular matrix which drive and produce piezoelectric activity are responsible for the genesis of GTCHC complexes in pathological tissues. This research suggests that molecular crystals represented by triangular chiral hexagons derived from a collision-attraction event against collagen type I fibrils emerge at microscopic and macroscopic scales presenting a lateral assembly of each side of hypertrophy helicoid fibers, that represent energy flow in cooperative hierarchically chiral electromagnetic interaction in pathological tissues and arises as a geometry of the equilibrium in perturbed biological systems. Further interdisciplinary studies must

  20. Pathological rate matrices: from primates to pathogens

    Directory of Open Access Journals (Sweden)

    Knight Rob

    2008-12-01

    Full Text Available Abstract Background Continuous-time Markov models allow flexible, parametrically succinct descriptions of sequence divergence. Non-reversible forms of these models are more biologically realistic but are challenging to develop. The instantaneous rate matrices defined for these models are typically transformed into substitution probability matrices using a matrix exponentiation algorithm that employs eigendecomposition, but this algorithm has characteristic vulnerabilities that lead to significant errors when a rate matrix possesses certain 'pathological' properties. Here we tested whether pathological rate matrices exist in nature, and consider the suitability of different algorithms to their computation. Results We used concatenated protein coding gene alignments from microbial genomes, primate genomes and independent intron alignments from primate genomes. The Taylor series expansion and eigendecomposition matrix exponentiation algorithms were compared to the less widely employed, but more robust, Padé with scaling and squaring algorithm for nucleotide, dinucleotide, codon and trinucleotide rate matrices. Pathological dinucleotide and trinucleotide matrices were evident in the microbial data set, affecting the eigendecomposition and Taylor algorithms respectively. Even using a conservative estimate of matrix error (occurrence of an invalid probability, both Taylor and eigendecomposition algorithms exhibited substantial error rates: ~100% of all exonic trinucleotide matrices were pathological to the Taylor algorithm while ~10% of codon positions 1 and 2 dinucleotide matrices and intronic trinucleotide matrices, and ~30% of codon matrices were pathological to eigendecomposition. The majority of Taylor algorithm errors derived from occurrence of multiple unobserved states. A small number of negative probabilities were detected from the Pad�� algorithm on trinucleotide matrices that were attributable to machine precision. Although the Pad

  1. Cooperative and submolecular dissipation mechanisms of sliding friction in complex organic systems.

    Science.gov (United States)

    Knorr, Daniel B; Gray, Tomoko O; Overney, René M

    2008-08-21

    Energy dissipation in single asperity sliding friction was directly linked to submolecular modes of mobility by intrinsic friction analysis, involving time-temperature superposition along with thermodynamic stress and reaction rate models. Thereby, polystyrene served as a representative tribological sample for organic and amorphous complex systems. This study reveals the significance of surface and subsurface (alpha-, beta-, and gamma-) relaxational modes, which couple under appropriate external conditions (load, temperature, and rate) with shear induced disturbances, and thus gives rise to material specific frictional dissipation. At low pressures and temperatures below the glass transition point, the phenyl pendant side groups of polystyrene, known for their preferential orientation at the free surface, were noticed to be the primary channel for dissipation of kinetic sliding-energy. While this process was found to be truly enthalpic (activation energy of 8 kcalmol), energy dissipation was shown to possess both enthalpic and cooperative entropic contributions above the loading capacity of the surface phenyl groups (9.9 kcalmol) or above the glass transition. Apparent Arrhenius activation energies of frictional dissipation of 22 and 90 kcalmol, respectively, and cooperative contributions up to 80% were found. As such, this study highlights issues critical to organic lubricant design, i.e., the intrinsic enthalpic activation barriers of mobile linker groups, the evaluation of cooperative mobility phenomena, and critical tribological parameters to access or avoid coupling between shear disturbances and molecular actuators.

  2. Electrochemical properties of manganese and rhenium complexes with organic redox ligands

    Energy Technology Data Exchange (ETDEWEB)

    Bumberg, A.A.; Milaev, A.G.; Okhlobystin, O.Yu.

    1983-03-01

    Pyrilium salts, 4H-pyrans and phenols that contain sigma-bound groups M(CO)/sub 3/ (M=Mn, Re) are investigated using the methods of classic and commutated polarography, disc rotating electrode with a ring and cyclic voltamperometry. The first single electron stage of electrochemical reduction of pyrilium cations containing sigma-bound substitutuents ..pi..=C/sub 5/H/sub 4/M(CO/sub 3/) (M=Mn, Re) takes place without any rupture of metal-carbon bonds and brings about rather stable vacant, metal organic radicals. Electrochemical dehydration of appropriate 4H-pyrans takes place through a stage of formation of these vacant radicals and complexes with the formation of metal organic pyrilium cations. Electrochemical oxidation of spatially hindrance phenols containing in 4-th position ..pi..-C/sub 5/H/sub 4/Re(CO/sub 3/) and C/sub 5/H/sub 4/Mn(CO)/sub 2/P(Ph)/sub 3/ substitutes takes place with the formation of appropriate cation radicals as intermediates and brings about vacant phenoxyls that contain charged organometallic group.

  3. The Detection of Hot Cores and Complex Organic Molecules in the Large Magellanic Cloud

    Science.gov (United States)

    Sewiło, Marta; Indebetouw, Remy; Charnley, Steven B.; Zahorecz, Sarolta; Oliveira, Joana M.; van Loon, Jacco Th.; Ward, Jacob L.; Chen, C.-H. Rosie; Wiseman, Jennifer; Fukui, Yasuo; Kawamura, Akiko; Meixner, Margaret; Onishi, Toshikazu; Schilke, Peter

    2018-02-01

    We report the first extragalactic detection of the complex organic molecules (COMs) dimethyl ether (CH3OCH3) and methyl formate (CH3OCHO) with the Atacama Large Millimeter/submillimeter Array (ALMA). These COMs, together with their parent species methanol (CH3OH), were detected toward two 1.3 mm continuum sources in the N 113 star-forming region in the low-metallicity Large Magellanic Cloud (LMC). Rotational temperatures ({T}{rot}∼ 130 K) and total column densities ({N}{rot}∼ {10}16 cm‑2) have been calculated for each source based on multiple transitions of CH3OH. We present the ALMA molecular emission maps for COMs and measured abundances for all detected species. The physical and chemical properties of two sources with COMs detection, and the association with H2O and OH maser emission, indicate that they are hot cores. The fractional abundances of COMs scaled by a factor of 2.5 to account for the lower metallicity in the LMC are comparable to those found at the lower end of the range in Galactic hot cores. Our results have important implications for studies of organic chemistry at higher redshift.

  4. Synthesis and studies of novel high metal content organic aerogels obtained from a polymerizable titanium complex

    International Nuclear Information System (INIS)

    Cadra, S.

    2010-01-01

    Inertial Confinement Fusion (ICF) is a technique widely studied by the French atomic commission (CEA). Experiments will be performed within the Laser Megajoule (LMJ). They require innovative materials like organic aerogels that constitute laser targets. Such polymeric material must provide both a high porosity and a significant titanium percentage (1 atom %). Moreover, the monomers developed must be compatible with the synthesis procedure already in use. According to these specifications, a new polymerizable titanium complex was synthesized and fully characterized. This air and moisture-stable monomer provides a high metal percentage. Its free-radical cross-linked copolymerization affords several titanium-containing polymers. These gels were dried under supercritical conditions and organic aerogels were obtained. The chemical compositions of these materials were investigated by NMR, IR and elemental analysis while their structure was characterized by MEB-EDS, MET, N 2 adsorption/desorption isotherms measurements and SAXS. The data collected fit the specification requirements. Moreover, the mechanisms responsible of the foam nano-structure formation were discussed. (author) [fr

  5. Surface complexation modeling of uranium (Vi) retained onto zirconium diphosphate in presence of organic acids

    International Nuclear Information System (INIS)

    Almazan T, M. G.; Garcia G, N.; Ordonez R, E.

    2010-10-01

    In the field of nuclear waste disposal, predictions regarding radionuclide migration through the geosphere, have to take account the effects of natural organic matter. This work presents an investigation of interaction mechanisms between U (Vi) and zirconium diphosphate (ZrP 2 O 7 ) in presence of organic acids (citric acid and oxalic acid). The retention reactions were previously examined using a batch equilibrium method. Previous results showed that U (Vi) retention was more efficient when citric acid or oxalic acid was present in solid surface at lower ph values. In order to determine the retention equilibria for both systems studied, a phosphorescence spectroscopy study was carried out. The experimental data were then fitted using the Constant Capacitance Model included in the FITEQL4.0 code. Previous results concerning surface characterization of ZrP 2 O 7 (surface sites density and surface acidity constants) were used to constraint the modeling. The best fit for U (Vi)/citric acid/ZrP 2 O 7 and U (Vi)/oxalic acid/ZrP 2 O 7 systems considered the formation of a ternary surface complex. (Author)

  6. Enantiomeric separation of complex organic molecules produced from irradiation of interstellar/circumstellar ice analogs

    Science.gov (United States)

    Nuevo, M.; Meierhenrich, U. J.; D'Hendecourt, L.; Muñoz Caro, G. M.; Dartois, E.; Deboffle, D.; Thiemann, W. H.-P.; Bredehöft, J.-H.; Nahon, L.

    Irradiation of interstellar/circumstellar ice analogs by ultraviolet (UV) light followed by warm up in the laboratory leads to the formation of complex organic molecules, stable at room temperature. Hydrolysis of the room temperature residue releases amino acids, the building blocks of proteins. These amino acids exist in two different forms (L and D), but proteins encountered in living beings consist exclusively of L enantiomers. The origin of this property, called homochirality, is still unknown. Amino acids can be detected and quantified by chemical techniques such as chiral gas chromatography coupled with mass spectrometry (GC-MS). Enantiomers of chiral organics are also known to interact selectively with circularly polarized light (CPL), leading to a selective production or destruction of the final compounds. This paper describes how we settled an experiment where amino acids are formed by irradiation of interstellar/circumstellar ice analogs with ultraviolet (UV) CPL, produced by a synchrotron radiation beamline, which allowed us to quantify the effect of such polarized light on the production of amino acids. These results can be compared to the enantiomeric excesses measured in primitive meteorites such as Murchison.

  7. Selection within organisms in the nineteenth century: Wilhelm Roux's complex legacy.

    Science.gov (United States)

    Heams, Thomas

    2012-09-01

    Selectionism, or the extension of darwinian chance/selection dynamics beyond the individual level, has a long history in biological thought. It has generated important theories in immunology or neurology, and turns out to be a convincing framework to account for the intrinsic stochastic nature of core events in cellular biology. When looking back at the intellectual origins of selectionism, the essay by the German embryologist Wilhelm Roux, Der Kampf der Theile im Organismus (The Struggle of the Parts in the Organism - 1881) might be one, if not the earliest reference after the darwinian revolution. It describes the individual as a multilevel structure, where each level results from a 'darwinian' struggle of its parts (molecules, cells, tissues, organs). But Roux's theory, far from being a simple extension of natural selection, has complex and even conflictual relationships with darwinism. This essay is worth rediscovering as a subtle historical testimony of the evolutionary and developmental life sciences debates of its time. Moreover, some of its theses may also enrich some current debates among evolutionary biologists over levels of selection, and among cellular and molecular biologists over the status of determinism in biology today. Copyright © 2012 Elsevier Ltd. All rights reserved.

  8. Structurally Complex Organization of Repetitive DNAs in the Genome of Cobia (Rachycentron canadum).

    Science.gov (United States)

    Costa, Gideão W W F; Cioffi, Marcelo de B; Bertollo, Luiz A C; Molina, Wagner F

    2015-06-01

    Repetitive DNAs comprise the largest fraction of the eukaryotic genome. They include microsatellites or simple sequence repeats (SSRs), which play an important role in the chromosome differentiation among fishes. Rachycentron canadum is the only representative of the family Rachycentridae. This species has been focused on several multidisciplinary studies in view of its important potential for marine fish farming. In the present study, distinct classes of repetitive DNAs, with emphasis on SSRs, were mapped in the chromosomes of this species to improve the knowledge of its genome organization. Microsatellites exhibited a diversified distribution, both dispersed in euchromatin and clustered in the heterochromatin. The multilocus location of SSRs strengthened the heterochromatin heterogeneity in this species, as suggested by some previous studies. The colocalization of SSRs with retrotransposons and transposons pointed to a close evolutionary relationship between these repetitive sequences. A number of heterochromatic regions highlighted a greater complex organization than previously supposed, harboring a diversity of repetitive elements. In this sense, there was also evidence of colocalization of active genetic regions and different classes of repetitive DNAs in a common heterochromatic region, which offers a potential opportunity for further researches regarding the interaction of these distinct fractions in fish genomes.

  9. Complex organic molecules in the Galactic Centre: the N-bearing family

    Science.gov (United States)

    Zeng, S.; Jiménez-Serra, I.; Rivilla, V. M.; Martín, S.; Martín-Pintado, J.; Requena-Torres, M. A.; Armijos-Abendaño, J.; Riquelme, D.; Aladro, R.

    2018-05-01

    We present an unbiased spectral line survey toward the Galactic Centre (GC) quiescent giant molecular cloud (QGMC), G+0.693 using the GBT and IRAM 30 telescopes. Our study highlights an extremely rich organic inventory of abundant amounts of nitrogen (N)-bearing species in a source without signatures of star formation. We report the detection of 17 N-bearing species in this source, of which 8 are complex organic molecules (COMs). A comparison of the derived abundances relative to H2 is made across various galactic and extragalactic environments. We conclude that the unique chemistry in this source is likely to be dominated by low-velocity shocks with X-rays/cosmic rays also playing an important role in the chemistry. Like previous findings obtained for O-bearing molecules, our results for N-bearing species suggest a more efficient hydrogenation of these species on dust grains in G+0.693 than in hot cores in the Galactic disk, as a consequence of the low dust temperatures coupled with energetic processing by X-ray/cosmic ray radiation in the GC.

  10. Sensitive and specific detection of potentially allergenic almond (Prunus dulcis) in complex food matrices by Taqman real-time polymerase chain reaction in comparison to commercially available protein-based enzyme-linked immunosorbent assay

    Energy Technology Data Exchange (ETDEWEB)

    Roeder, Martin; Vieths, Stefan [Division of Allergology, Paul-Ehrlich-Institut, Paul-Ehrlich-Strasse 51-59, 63225 Langen (Germany); Holzhauser, Thomas, E-mail: holth@pei.de [Division of Allergology, Paul-Ehrlich-Institut, Paul-Ehrlich-Strasse 51-59, 63225 Langen (Germany)

    2011-01-24

    Currently, causative immunotherapies are lacking in food allergy. The only option to prevent allergic reactions in susceptible individuals is to strictly avoid the offending food. Thus, reliable labelling of allergenic constituents is of major importance, but can only be achieved if appropriate specific and sensitive detection techniques for foods with allergenic potential are available. Almond is an allergenic food that requires mandatory labelling on prepackaged foods and belongs to the genus Prunus. Species of this genus are phylogenetically closely related. We observed commercially available almond specific ELISA being highly cross-reactive with other foods of the Prunoideae family, resulting in a false-positive detection of up to 500,000 mg kg{sup -1} almond. Previously published PCR methods were reported to be cross-reactive with false positive results >1200 mg kg{sup -1}. We describe the development of a novel almond specific real-time PCR, based on mutated mismatch primers and sequence specific Taqman probe detection, in comparison with two quantitative commercially available ELISA. PCR sensitivity was investigated with chocolate, chocolate coating and cookies spiked between 5 and 100,000 mg kg{sup -1} almond. In all matrices almond was reproducibly detected by real-time PCR at the lowest spike level of 5 mg kg{sup -1}. Further, between 100 and 100,000 mg kg{sup -1} spiked almond, the method featured good correlation between quantified copy numbers and the amount of spiked almond. Within this range a similar relation between detectable signal and amount of almond was observed for both PCR and ELISA. In contrast to ELISA the Taqman real-time PCR method was highly specific in 59 food items with negligible cross-reactivity for a very limited number of Prunoideae foods. The real-time PCR analysis of 24 retail samples was in concordance with ELISA results: 21% (n = 5) contained undeclared almond. This is the first completely disclosed real-time PCR method for a

  11. Sensitive and specific detection of potentially allergenic almond (Prunus dulcis) in complex food matrices by Taqman(®) real-time polymerase chain reaction in comparison to commercially available protein-based enzyme-linked immunosorbent assay.

    Science.gov (United States)

    Röder, Martin; Vieths, Stefan; Holzhauser, Thomas

    2011-01-24

    Currently, causative immunotherapies are lacking in food allergy. The only option to prevent allergic reactions in susceptible individuals is to strictly avoid the offending food. Thus, reliable labelling of allergenic constituents is of major importance, but can only be achieved if appropriate specific and sensitive detection techniques for foods with allergenic potential are available. Almond is an allergenic food that requires mandatory labelling on prepackaged foods and belongs to the genus Prunus. Species of this genus are phylogenetically closely related. We observed commercially available almond specific ELISA being highly cross-reactive with other foods of the Prunoideae family, resulting in a false-positive detection of up to 500,000 mg kg(-1) almond. Previously published PCR methods were reported to be cross-reactive with false positive results >1200 mg kg(-1). We describe the development of a novel almond specific real-time PCR, based on mutated mismatch primers and sequence specific Taqman(®) probe detection, in comparison with two quantitative commercially available ELISA. PCR sensitivity was investigated with chocolate, chocolate coating and cookies spiked between 5 and 100,000 mg kg(-1) almond. In all matrices almond was reproducibly detected by real-time PCR at the lowest spike level of 5 mg kg(-1). Further, between 100 and 100,000 mg kg(-1) spiked almond, the method featured good correlation between quantified copy numbers and the amount of spiked almond. Within this range a similar relation between detectable signal and amount of almond was observed for both PCR and ELISA. In contrast to ELISA the Taqman(®) real-time PCR method was highly specific in 59 food items with negligible cross-reactivity for a very limited number of Prunoideae foods. The real-time PCR analysis of 24 retail samples was in concordance with ELISA results: 21% (n=5) contained undeclared almond. This is the first completely disclosed real-time PCR method for a specific and

  12. Sensitive and specific detection of potentially allergenic almond (Prunus dulcis) in complex food matrices by Taqman real-time polymerase chain reaction in comparison to commercially available protein-based enzyme-linked immunosorbent assay

    International Nuclear Information System (INIS)

    Roeder, Martin; Vieths, Stefan; Holzhauser, Thomas

    2011-01-01

    Currently, causative immunotherapies are lacking in food allergy. The only option to prevent allergic reactions in susceptible individuals is to strictly avoid the offending food. Thus, reliable labelling of allergenic constituents is of major importance, but can only be achieved if appropriate specific and sensitive detection techniques for foods with allergenic potential are available. Almond is an allergenic food that requires mandatory labelling on prepackaged foods and belongs to the genus Prunus. Species of this genus are phylogenetically closely related. We observed commercially available almond specific ELISA being highly cross-reactive with other foods of the Prunoideae family, resulting in a false-positive detection of up to 500,000 mg kg -1 almond. Previously published PCR methods were reported to be cross-reactive with false positive results >1200 mg kg -1 . We describe the development of a novel almond specific real-time PCR, based on mutated mismatch primers and sequence specific Taqman probe detection, in comparison with two quantitative commercially available ELISA. PCR sensitivity was investigated with chocolate, chocolate coating and cookies spiked between 5 and 100,000 mg kg -1 almond. In all matrices almond was reproducibly detected by real-time PCR at the lowest spike level of 5 mg kg -1 . Further, between 100 and 100,000 mg kg -1 spiked almond, the method featured good correlation between quantified copy numbers and the amount of spiked almond. Within this range a similar relation between detectable signal and amount of almond was observed for both PCR and ELISA. In contrast to ELISA the Taqman real-time PCR method was highly specific in 59 food items with negligible cross-reactivity for a very limited number of Prunoideae foods. The real-time PCR analysis of 24 retail samples was in concordance with ELISA results: 21% (n = 5) contained undeclared almond. This is the first completely disclosed real-time PCR method for a specific and

  13. Using high complexity analysis to probe the evolution of organic aerosol during pollution events in Beijing

    Science.gov (United States)

    Hamilton, J.; Dixon, W.; Dunmore, R.; Squires, F. A.; Swift, S.; Lee, J. D.; Rickard, A. R.; Sun, Y.; Xu, W.

    2017-12-01

    There is increasing evidence that exposure to air pollution results in significant impacts on human health. In Beijing, home to over 20 million inhabitants, particulate matter levels are very high by international standards, with official estimates of an annual mean PM2.5 concentration in 2014 of 86 μg m-3, nearly 9 times higher than the WHO guideline. Changes in particle composition during pollution events will provide key information on sources and can be used to inform strategies for pollution mitigation and health benefits. The organic fraction of PM is an extremely complex mixture reflecting the diversity of sources to the atmosphere. In this study we attempt to harness the chemical complexity of OA by developing an extensive database of over 700 mass spectra, built using literature data and sources specific tracers (e.g. diesel emission characterisation experiments and SOA generated in chamber simulations). Using a high throughput analysis method (15 min), involving UHPLC coupled to Orbitrap mass spectrometry, chromatograms are integrated, compared to the library and a list of identified compounds produced. Purpose built software based on R is used to automatically produce time series, alongside common aerosol metrics and data visualisation techniques, dramatically reducing analysis times. Offline measurements of organic aerosol composition were made as part of the Sources and Emissions of Air Pollutants in Beijing project, a collaborative program between leading UK and Chinese research groups. Rather than studying only a small number of 24 hr PM samples, we collected 250 filters samples at a range of different time resolutions, from 30 minutes to 12 hours, depending on the time of day and PM loadings. In total 643 species were identified based on their elemental formula and retention time, with species ranging from C2-C22 and between 1-13 oxygens. A large fraction of the OA species observed were organosulfates and/or nitrates. Here we will present

  14. Modeling the Impact of Alternative Immunization Strategies: Using Matrices as Memory Lanes

    Science.gov (United States)

    Alonso, Wladimir J.; Rabaa, Maia A.; Giglio, Ricardo; Miller, Mark A.; Schuck-Paim, Cynthia

    2015-01-01

    Existing modeling approaches are divided between a focus on the constitutive (micro) elements of systems or on higher (macro) organization levels. Micro-level models enable consideration of individual histories and interactions, but can be unstable and subject to cumulative errors. Macro-level models focus on average population properties, but may hide relevant heterogeneity at the micro-scale. We present a framework that integrates both approaches through the use of temporally structured matrices that can take large numbers of variables into account. Matrices are composed of several bidimensional (time×age) grids, each representing a state (e.g. physiological, immunological, socio-demographic). Time and age are primary indices linking grids. These matrices preserve the entire history of all population strata and enable the use of historical events, parameters and states dynamically in the modeling process. This framework is applicable across fields, but particularly suitable to simulate the impact of alternative immunization policies. We demonstrate the framework by examining alternative strategies to accelerate measles elimination in 15 developing countries. The model recaptured long-endorsed policies in measles control, showing that where a single routine measles-containing vaccine is employed with low coverage, any improvement in coverage is more effective than a second dose. It also identified an opportunity to save thousands of lives in India at attractively low costs through the implementation of supplementary immunization campaigns. The flexibility of the approach presented enables estimating the effectiveness of different immunization policies in highly complex contexts involving multiple and historical influences from different hierarchical levels. PMID:26509976

  15. The construction of factorized S-matrices

    International Nuclear Information System (INIS)

    Chudnovsky, D.V.

    1981-01-01

    We study the relationships between factorized S-matrices given as representations of the Zamolodchikov algebra and exactly solvable models constructed using the Baxter method. Several new examples of symmetric and non-symmetric factorized S-matrices are proposed. (orig.)

  16. Skew-adjacency matrices of graphs

    NARCIS (Netherlands)

    Cavers, M.; Cioaba, S.M.; Fallat, S.; Gregory, D.A.; Haemers, W.H.; Kirkland, S.J.; McDonald, J.J.; Tsatsomeros, M.

    2012-01-01

    The spectra of the skew-adjacency matrices of a graph are considered as a possible way to distinguish adjacency cospectral graphs. This leads to the following topics: graphs whose skew-adjacency matrices are all cospectral; relations between the matchings polynomial of a graph and the characteristic

  17. On Investigating GMRES Convergence using Unitary Matrices

    Czech Academy of Sciences Publication Activity Database

    Duintjer Tebbens, Jurjen; Meurant, G.; Sadok, H.; Strakoš, Z.

    2014-01-01

    Roč. 450, 1 June (2014), s. 83-107 ISSN 0024-3795 Grant - others:GA AV ČR(CZ) M100301201; GA MŠk(CZ) LL1202 Institutional support: RVO:67985807 Keywords : GMRES convergence * unitary matrices * unitary spectra * normal matrices * Krylov residual subspace * Schur parameters Subject RIV: BA - General Mathematics Impact factor: 0.939, year: 2014

  18. Determination of the dissociation constants of some organic complexing agents and stability constants of their uranyl complexes by spectrophotometry

    International Nuclear Information System (INIS)

    1989-01-01

    The dissociation constants of the weak acids derived from quinizarin (1,4-dihydroxy anthraquinone); QMF (2-(2-fury l methyl)), QMPH (2-(2-phenyl methyl)) and QMN (2-(2-naphthyl methyl)) quinizarin were determined. The stability constants of uranyl complexes with the above mentioned ligands were investigated by: 1. The molar-ratio method. 2. Computer program

  19. Exact Inverse Matrices of Fermat and Mersenne Circulant Matrix

    Directory of Open Access Journals (Sweden)

    Yanpeng Zheng

    2015-01-01

    Full Text Available The well known circulant matrices are applied to solve networked systems. In this paper, circulant and left circulant matrices with the Fermat and Mersenne numbers are considered. The nonsingularity of these special matrices is discussed. Meanwhile, the exact determinants and inverse matrices of these special matrices are presented.

  20. Calculation of controllability and observability matrices for special case of continuous-time multi-order fractional systems.

    Science.gov (United States)

    Hassanzadeh, Iman; Tabatabaei, Mohammad

    2017-03-28

    In this paper, controllability and observability matrices for pseudo upper or lower triangular multi-order fractional systems are derived. It is demonstrated that these systems are controllable and observable if and only if their controllability and observability matrices are full rank. In other words, the rank of these matrices should be equal to the inner dimension of their corresponding state space realizations. To reduce the computational complexities, these matrices are converted to simplified matrices with smaller dimensions. Numerical examples are provided to show the usefulness of the mentioned matrices for controllability and observability analysis of this case of multi-order fractional systems. These examples clarify that the duality concept is not necessarily true for these special systems. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

  1. SAR matrices: automated extraction of information-rich SAR tables from large compound data sets.

    Science.gov (United States)

    Wassermann, Anne Mai; Haebel, Peter; Weskamp, Nils; Bajorath, Jürgen

    2012-07-23

    We introduce the SAR matrix data structure that is designed to elucidate SAR patterns produced by groups of structurally related active compounds, which are extracted from large data sets. SAR matrices are systematically generated and sorted on the basis of SAR information content. Matrix generation is computationally efficient and enables processing of large compound sets. The matrix format is reminiscent of SAR tables, and SAR patterns revealed by different categories of matrices are easily interpretable. The structural organization underlying matrix formation is more flexible than standard R-group decomposition schemes. Hence, the resulting matrices capture SAR information in a comprehensive manner.

  2. Algorithms for computing solvents of unilateral second-order matrix polynomials over prime finite fields using lambda-matrices

    Science.gov (United States)

    Burtyka, Filipp

    2018-01-01

    The paper considers algorithms for finding diagonalizable and non-diagonalizable roots (so called solvents) of monic arbitrary unilateral second-order matrix polynomial over prime finite field. These algorithms are based on polynomial matrices (lambda-matrices). This is an extension of existing general methods for computing solvents of matrix polynomials over field of complex numbers. We analyze how techniques for complex numbers can be adapted for finite field and estimate asymptotic complexity of the obtained algorithms.

  3. The shock synthesis of complex organics from impacts into cometary analogue mixtures

    Science.gov (United States)

    Price, M.; Wozniakiewicz, P.; Cole, M.; Martins, Z.; Burchell, M.

    2014-07-01

    Introduction: If amino acids are required for the evolution of life, what was their source? Many different theories abound as to the source of amino acids on the early Earth including exogenous delivery from comets/asteroids (for example, glycine was found recently on comet Wild-2 [1]), formation in the protoplanetary nebula [2], or UV catalysed reactions of gases [3]. An alternative explanation is that amino acids can be shock-synthesised during the impact on an icy body onto a rocky body (or, equivalently, the impact of rocky body onto an icy surface). This theory is supported by computer simulations [4] and by very recent experimental data, which demonstrated the formation of simple (including abiotic) amino acids from shocks into ice mixtures mimicking the composition of comets and the surfaces of the icy Jovian and Saturnian satellites. Although the results from these experiments are fundamentally important, the yield of synthesised amino acids was low (nano-grams of material), complicating their detection and identification. In order to increase the collected yield of complex organics, and aid in their detection and identification, we have implemented a new collection technique within our hypervelocity impact facility. Experimental Methodology: Figure 1A) shows a low-resolution high-speed photograph of an impact plasma generated from an impact of a stainless-steel sphere into a mixture of water, CO_{2}, ammonia, and methanol ices. The plasma has an intense blue colour, and lasted for < 1 msec (the frame-rate of the camera). It is during and within this flash that complex organics are most likely synthesised, and thus to maximise the collection of these materials, we have implemented a new collection mechanism. Figure 1B) shows the prototype collection mechanism. Here an aluminium cold-plate (˜150 K) is placed in front of the target holder containing the ice mixtures. The plate has a central hole which allows the projectile to pass through to impact the ice

  4. Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex

    International Nuclear Information System (INIS)

    Qian, Cheng; Kong, Fang; Mao, Jiang-Gao

    2016-01-01

    A series of vanadium selenites covalently bonded with metal-organic complex, namely, Ni(2,2-bipy) 2 V 2 O 4 (SeO 3 ) 2 (1), Cu(2,2-bipy)V 2 O 4 (SeO 3 ) 2 ·0.5H 2 O (2) and Cu 2 (2,2-bipy) 2 V 5 O 12 (SeO 3 ) 2 (3) (2,2-bipy=2,2-bipyridine) have been hydrothermally synthesized and structurally characterized. They exhibit three different structural dimensions, from 0D cluster, 1D chain to 2D layer. Compound 1 features a 0D {Ni(2,2-bipy) 2 V 2 O 4 (SeO 3 ) 2 } 2 dimeric cluster composed of two {Ni(2,2-bipy) 2 } 2+ moieties connected by the {V 4 O 8 (SeO 3 ) 4 } 4- cluster. Compound 2 shows a 1D {Cu(2,2-bipy)V 2 O 4 (SeO 3 ) 2 } n chain in which the {Cu 2 (2,2-bipy) 2 } 4+ moieties are bridged by the {V 4 O 8 (SeO 3 ) 4 } 4− clusters. Compound 3 displays a 2D structure consisted of mixed valence vanadium selenites layers {V IV V V 4 Se IV 2 O 18 } n 4− and {Cu(2,2-bipy)} 2+ complex moieties. The adjacent layers are further interconnected via π-π interactions between the 2,2-bipy ligands exhibiting an interesting 3D supramolecular architecture. Both compound 1 and 2 contain a new {V 4 O 8 (SeO 3 ) 4 } 4− cluster and compound 3 exhibits the first 2D vanadate polyhedral layer in vanadium selenites/tellurites with organic moieties. - Graphical abstract: We got three new vanadium selenites with organically linked copper/nickel complex, namely, Ni(2,2-bipy) 2 V 2 O 4 (SeO 3 ) 2 (1), Cu(2,2-bipy)V 2 O 4 (SeO 3 ) 2 ·0.5H 2 O (2) and Cu 2 (2,2-bipy) 2 V 5 O 12 (SeO 3 ) 2 (3) by hydrothermally syntheses. They display three different structural dimensions, from 0D cluster, to 1D chain and 2D layer. Display Omitted - Highlights: • Three new compounds display three different structural dimensions, from 0D cluster, to 1D chain and 2D layer. • The Tetranuclear {V 4 O 8 (SeO 3 ) 4 } 4− cluster and the vanadate {V 5 O 17 } n 2D layer are observed firstly. • Optical Properties and Magnetic Properties of three compounds are reported.

  5. Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex

    Energy Technology Data Exchange (ETDEWEB)

    Qian, Cheng [College of Chemistry, Fuzhou University, Fuzhou, Fujian 350002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Kong, Fang [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Mao, Jiang-Gao, E-mail: mjg@fjirsm.ac.cn [College of Chemistry, Fuzhou University, Fuzhou, Fujian 350002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China)

    2016-06-15

    A series of vanadium selenites covalently bonded with metal-organic complex, namely, Ni(2,2-bipy){sub 2}V{sub 2}O{sub 4}(SeO{sub 3}){sub 2} (1), Cu(2,2-bipy)V{sub 2}O{sub 4}(SeO{sub 3}){sub 2}·0.5H{sub 2}O (2) and Cu{sub 2}(2,2-bipy){sub 2}V{sub 5}O{sub 12}(SeO{sub 3}){sub 2} (3) (2,2-bipy=2,2-bipyridine) have been hydrothermally synthesized and structurally characterized. They exhibit three different structural dimensions, from 0D cluster, 1D chain to 2D layer. Compound 1 features a 0D {Ni(2,2-bipy)_2V_2O_4(SeO_3)_2}{sub 2} dimeric cluster composed of two {Ni(2,2-bipy)_2}{sup 2+} moieties connected by the {V_4O_8(SeO_3)_4}{sup 4-} cluster. Compound 2 shows a 1D {Cu(2,2-bipy)V_2O_4(SeO_3)_2}{sub n} chain in which the {Cu_2(2,2-bipy)_2}{sup 4+} moieties are bridged by the {V_4O_8(SeO_3)_4}{sup 4−} clusters. Compound 3 displays a 2D structure consisted of mixed valence vanadium selenites layers {V"I"VV"V_4Se"I"V_2O_1_8}{sub n}{sup 4−} and {Cu(2,2-bipy)}{sup 2+} complex moieties. The adjacent layers are further interconnected via π-π interactions between the 2,2-bipy ligands exhibiting an interesting 3D supramolecular architecture. Both compound 1 and 2 contain a new {V_4O_8(SeO_3)_4}{sup 4−} cluster and compound 3 exhibits the first 2D vanadate polyhedral layer in vanadium selenites/tellurites with organic moieties. - Graphical abstract: We got three new vanadium selenites with organically linked copper/nickel complex, namely, Ni(2,2-bipy){sub 2}V{sub 2}O{sub 4}(SeO{sub 3}){sub 2} (1), Cu(2,2-bipy)V{sub 2}O{sub 4}(SeO{sub 3}){sub 2}·0.5H{sub 2}O (2) and Cu{sub 2}(2,2-bipy){sub 2}V{sub 5}O{sub 12}(SeO{sub 3}){sub 2} (3) by hydrothermally syntheses. They display three different structural dimensions, from 0D cluster, to 1D chain and 2D layer. Display Omitted - Highlights: • Three new compounds display three different structural dimensions, from 0D cluster, to 1D chain and 2D layer. • The Tetranuclear {V_4O_8(SeO_3)_4}{sup 4−} cluster and the vanadate {V

  6. Water and complex organic chemistry in the cold dark cloud Barnard 5: Observations and Models

    Science.gov (United States)

    Wirström, Eva; Charnley, Steven B.; Taquet, Vianney; Persson, Carina M.

    2015-08-01

    Studies of complex organic molecule (COM) formation have traditionally been focused on hot cores in regions of massive star formation, where chemistry is driven by the elevated temperatures - evaporating ices and allowing for endothermic reactions in the gas-phase. As more sensitive instruments have become available, the types of objects known to harbour COMs like acetaldehyde (CH3CHO), dimethyl ether (CH3OCH3), methyl formate (CH3OCHO), and ketene (CH2CO) have expanded to include low mass protostars and, recently, even pre-stellar cores. We here report on the first in a new category of objects harbouring COMs: the cold dark cloud Barnard 5 where non-thermal ice desorption induce complex organic chemistry entirely unrelated to local star-formation.Methanol, which only forms efficiently on the surfaces of dust grains, provide evidence of efficient non-thermal desorption of ices in the form of prominent emission peaks offset from protostellar activity and high density tracers in cold molecular clouds. A study with Herschel targeting such methanol emission peaks resulted in the first ever detection of gas-phase water offset from protostellar activity in a dark cloud, at the so called methanol hotspot in Barnard 5.To model the effect a transient injection of ices into the gas-phase has on the chemistry of a cold, dark cloud we have included gas-grain interactions in an existing gas-phase chemical model and connected it to a chemical reaction network updated and expanded to include the formation and destruction paths of the most common COMs. Results from this model will be presented.Ground-based follow-up studies toward the methanol hotspot in B5 have resulted in the detection of a number of COMs, including CH2CO, CH3CHO, CH3OCH3, and CH3OCHO, as well as deuterated methanol (CH2DOH). Observations have also confirmed that COM emission is extended and not localised to a core structure. The implications of these observational and theoretical studies of B5 will be discussed

  7. Consolidity analysis for fully fuzzy functions, matrices, probability and statistics

    Directory of Open Access Journals (Sweden)

    Walaa Ibrahim Gabr

    2015-03-01

    Full Text Available The paper presents a comprehensive review of the know-how for developing the systems consolidity theory for modeling, analysis, optimization and design in fully fuzzy environment. The solving of systems consolidity theory included its development for handling new functions of different dimensionalities, fuzzy analytic geometry, fuzzy vector analysis, functions of fuzzy complex variables, ordinary differentiation of fuzzy functions and partial fraction of fuzzy polynomials. On the other hand, the handling of fuzzy matrices covered determinants of fuzzy matrices, the eigenvalues of fuzzy matrices, and solving least-squares fuzzy linear equations. The approach demonstrated to be also applicable in a systematic way in handling new fuzzy probabilistic and statistical problems. This included extending the conventional probabilistic and statistical analysis for handling fuzzy random data. Application also covered the consolidity of fuzzy optimization problems. Various numerical examples solved have demonstrated that the new consolidity concept is highly effective in solving in a compact form the propagation of fuzziness in linear, nonlinear, multivariable and dynamic problems with different types of complexities. Finally, it is demonstrated that the implementation of the suggested fuzzy mathematics can be easily embedded within normal mathematics through building special fuzzy functions library inside the computational Matlab Toolbox or using other similar software languages.

  8. The census of complex organic molecules in the solar-type protostar IRAS16293-2422

    Energy Technology Data Exchange (ETDEWEB)

    Jaber, Ali A.; Ceccarelli, C.; Kahane, C. [Université Grenoble Alpes, IPAG, F-38000 Grenoble (France); Caux, E. [Université de Toulouse, UPS-OMP, IRAP, F-31400 Toulouse (France)

    2014-08-10

    Complex organic molecules (COMs) are considered to be crucial molecules, since they are connected with organic chemistry, at the basis of terrestrial life. More pragmatically, they are molecules which in principle are difficult to synthesize in harsh interstellar environments and, therefore, are a crucial test for astrochemical models. Current models assume that several COMs are synthesized on lukewarm grain surfaces (≳30-40 K) and released in the gas phase at dust temperatures of ≳100 K. However, recent detections of COMs in ≲20 K gas demonstrate that we still need important pieces to complete the puzzle of COMs formation. Here, we present a complete census of the oxygen- and nitrogen-bearing COMs, previously detected in different Interstellar Medium (ISM) regions, toward the solar-type protostar IRAS16293-2422. The census was obtained from the millimeter-submillimeter unbiased spectral survey TIMASSS. Of the 29 COMs searched for, 6 were detected: methyl cyanide, ketene, acetaldehyde, formamide, dimethyl ether, and methyl formate. Multifrequency analysis of the last five COMs provides clear evidence that they are present in the cold (≲30 K) envelope of IRAS16293-2422, with abundances of 0.03-2 × 10{sup –10}. Our data do not allow us to support the hypothesis that the COMs abundance increases with increasing dust temperature in the cold envelope, as expected if COMs were predominately formed on lukewarm grain surfaces. Finally, when also considering other ISM sources, we find a strong correlation over five orders of magnitude between methyl formate and dimethyl ether, and methyl formate and formamide abundances, which may point to a link between these two couples of species in cold and warm gas.

  9. It's the Physics: Organized Complexity in the Arctic/Midlatitude Weather Controversy

    Science.gov (United States)

    Overland, J. E.; Francis, J. A.; Wang, M.

    2017-12-01

    There is intense scientific and public interest in whether major Arctic changes can and will impact mid-latitude weather. Despite numerous workshops and a growing literature, convergence of understanding is lacking, with major objections about possible large impacts within the scientific community. Yet research on the Arctic as a new potential driver in improving subseasonal forecasting at midlatitudes remains a priority. A recent review laid part of the controversy on shortcomings in experimental design and ill-suited metrics, such as examining the influence of only sea-ice loss rather than overall Arctic temperature amplification, and/or calculating averages over large regions, long time periods, or many ensemble members that would tend to obscure event-like Arctic connections. The present analysis lays the difficulty at a deeper level owing to the inherently complex physics. Jet-stream dynamics and weather linkages on the scale of a week to months has characteristics of an organized complex system, with large-scale processes that operate in patterned, quasi-geostrophic ways but whose component feedbacks are continually changing. Arctic linkages may be state dependent, i.e., relationships may be more robust in one atmospheric wave pattern than another, generating intermittency. The observational network is insufficient to fully initialize such a system and the inherent noise obscures linkage signals, leading to an underdetermined problem; often more than one explanation can fit the data. Further, the problem may be computationally irreducible; the only way to know the result of these interactions is to trace out their path over time. Modeling is a suggested approach, but at present it is unclear whether previous model studies fully resolve anticipated complexity. The jet stream from autumn to early winter is characterized by non-linear interactions among enhanced atmospheric planetary waves, irregular transitions between the zonal and meridional flows, and the

  10. Likelihood Approximation With Hierarchical Matrices For Large Spatial Datasets

    KAUST Repository

    Litvinenko, Alexander

    2017-09-03

    We use available measurements to estimate the unknown parameters (variance, smoothness parameter, and covariance length) of a covariance function by maximizing the joint Gaussian log-likelihood function. To overcome cubic complexity in the linear algebra, we approximate the discretized covariance function in the hierarchical (H-) matrix format. The H-matrix format has a log-linear computational cost and storage O(kn log n), where the rank k is a small integer and n is the number of locations. The H-matrix technique allows us to work with general covariance matrices in an efficient way, since H-matrices can approximate inhomogeneous covariance functions, with a fairly general mesh that is not necessarily axes-parallel, and neither the covariance matrix itself nor its inverse have to be sparse. We demonstrate our method with Monte Carlo simulations and an application to soil moisture data. The C, C++ codes and data are freely available.

  11. Application of different methodologies in the preparation of organic matrices for determination of trace elements by differential pulse anodic stripping voltammetry; Aplicacao de diferentes metodologias na preparacao de matrizes organicas para a determinacao voltametrica de elementos traco

    Energy Technology Data Exchange (ETDEWEB)

    Sisti, Cristina

    2001-07-01

    The determination of trace elements in food samples is of great importance for the human health, considering the factors of essentiality and toxicity. On the other hand, the chemical analysis is largely affected for the steps of sample preparation; laboratory contamination of the sample and the reagents or still volatilization and losses of the elements. If these parameters are not controlled the achieved precision and accuracy could be low. In this work, the content of zinc, cadmium, lead and copper was determined in adults diet samples collected by duplicate portion technique and bovine liver, applying the differential pulse anodic stripping voltametry - (DP-ASV) technique. In the digestion of the matrices in acid medium, conventional methodologies were used, conductive heating in open recipients and equipment with microwaves source in open and closed vessels. The best procedure was the sample digestion by microwaves, in closed vessels and the other treatments made in controlled atmosphere with hood laminar-airflow class 100. The established methodology was validated with the use of a certified sample as reference (NIST - bovine liver 1577b). (author)

  12. Tailoring of transition metal alkoxides via complexation for the synthesis of hybrid organic-inorganic sols and gels

    International Nuclear Information System (INIS)

    Sanchez, C.; In, M.; Toledano, P.; Griesmar, P.

    1992-01-01

    This paper reports that the chemical control of hydrolysis-condensation reactions of transition metal alkoxides can be performed through the modification of the transition metal coordination sphere by using strong complexing ligands (SCL). Complexing organic groups can be bonded to the transition metal oxide network in two different ways, as network modifiers or network formers. Different illustrations of the role of complexing ligands on Ti(IV) and Zr(IV) alkoxides are presented. As a network modifier, SCL act as termination agents for condensation reactions allowing a control of particle growth. The complexing ligands being located at the periphery of the oxo core open many opportunities for colloid surface protection. SCL carrying organofunctional groups which exhibit non linear optical (NLO) properties have also been used as probes to study sol-gel transformations. SCL functionalized with organic polymerizable functions act as network formers

  13. An investigation of groundwater organics, soil minerals, and activated carbon on the complexation, adsorption, and separation of technetium-99

    International Nuclear Information System (INIS)

    Gu, B.

    1996-01-01

    This report summarizes studies on the interactions of technetium-99 (Tc) with different organic compounds and soil minerals under both oxidizing and reducing conditions. The report is divided into four parts and includes (1) effect of natural organic matter (NOM) on the complexation and solubility of Tc, (2) complexation between Tc and trichloroethylene (TCE) in aqueous solutions, (3) adsorption of Tc on soil samples from Paducah Gaseous Diffusion Plant (PGDP), and (4) adsorption and separation of Tc on activated carbon. Various experimental techniques were applied to characterize and identify Tc complexation with organic compounds and TCE, including liquid-liquid extraction, membrane filtration, size exclusion, and gel chromatography. Results indicate, within the experimental error, Tc (as pertechnetate, TcO 4 ) did not appear to form complexes with groundwater or natural organic matter under both atmospheric and reducing conditions. However, Tc can form complexes with certain organic compounds or specific functional groups such as salicylate. Tc did not appear to form complexes with TCE in aqueous solution.Both liquid-liquid extraction and high performance liquid chromatography (HPLC) gave no indication Tc was complexed with TCE. The correlations between Tc and TCE concentrations in monitoring wells at PGDP may be a coincidence because TCE was commonly used as a decontamination reagent. Once TCE and Tc entered the groundwater, they behaved similarly because both TcO 4 - and TCE are poorly adsorbed by soils. An effective remediation technique to remove TcO 4 - from PGDP contaminated groundwater is needed. One possibility is the use of an activated carbon adsorption technique developed in this study

  14. Role of passive body dynamics in micro-organism swimming in complex fluids

    Science.gov (United States)

    Thomases, Becca; Guy, Robert

    2016-11-01

    We investigate the role of passive body dynamics in the kinematics of swimming micro-organisms in complex fluids. Asymptotic analysis and linear theory are used to predict shape changes that result as body elasticity and fluid elasticity are varied. The analysis is compared with a computational model of a finite length swimmer in a Stokes-Oldroyd-B fluid. Simulations and theory agree quantitatively for small amplitude motions with low fluid elasticity (Deborah number). This may not be surprising as the theory is expected hold in these two regimes. What is more remarkable is that the predicted shape changes match the computational shape changes quantitatively for large amplitudes, even for large Deborah numbers. Shape changes only tell part of the story. Swimming speed depends on other effects as well. We see that shape changes can predict swimming speed well when either the amplitude is small (including large Deborah number) or when the Deborah number is small (including large amplitudes). It is only in the large De AND large amplitude regime where the theory breaks down and swimming speed can no longer be inferred from shape changes alone.

  15. Determination of organic phosphorus in UO2C2O4·TRPO complex

    International Nuclear Information System (INIS)

    Guo Yifei; Yuan Jianhua; Liang Junfu; Jiao Rongzhou; Liu Xiuqin

    2001-01-01

    Organic phosphorus in UO 2 C 2 O 4 ·TRPO complex is converted to inorganic phosphorous with H 2 SO 4 -HNO 3 -H 2 O 2 wet cinefaction method. In 0.14 mol/L H 2 SO 4 solution containing water soluble poly vinylalcohol as stabilizing agent, the highly sensitive ion-associates are formed by the reaction of basic dye ethyl violet with heteropoly molybdophosphoric blue. Spectrophotometric method is used for determination of phosphorus with these ion-associates. The absorbance maximum is at 620 nm. Determination of phosphorus is not affected with mass ratios R(UO 2 2+ /P) ≤ 1.4 x 10 3 , R(C 2 O 4 2- /P) ≤ 8.8 x 10 2 and R(C 2 O 4 2- /P ≤ 3.6 x 10 4 (one time wet cinefaction must be carried out). In aqueous phase, phosphorus can be directly developed and determined. This method is contrasted with poly vinylalcohol-Rodamine B-heteropoly molybdophosphoric blue, analytical results are in good coincidence. Conversion ratio of phosphorus is 99.8% - 101.1%. The minimum detection limit is 0.02 mg/L. The relative standard deviation is 3%. The recovery ratio is 97% - 103%

  16. Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal–Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Dolgopolova, Ekaterina A. [Department; Ejegbavwo, Otega A. [Department; Martin, Corey R. [Department; Smith, Mark D. [Department; Setyawan, Wahyu [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Karakalos, Stavros G. [College; Henager, Charles H. [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; zur Loye, Hans-Conrad [Department; Shustova, Natalia B. [Department

    2017-11-07

    Growing necessity for efficient nuclear waste management is a driving force for development of alternative architectures towards fundamental understanding of mechanisms involved in actinide integration inside extended structures. In this manuscript, metal-organic frameworks (MOFs) were investigated as a model system for engineering radionuclide containing materials through utilization of unprecedented MOF modularity, which cannot be replicated in any other type of materials. Through the implementation of recent synthetic advances in the MOF field, hierarchical complexity of An-materials were built stepwise, which was only feasible due to preparation of the first examples of actinide-based frameworks with “unsaturated” metal nodes. The first successful attempts of solid-state metathesis and metal node extension in An-MOFs are reported, and the results of the former approach revealed drastic differences in chemical behavior of extended structures versus molecular species. Successful utilization of MOF modularity also allowed us to structurally characterize the first example of bimetallic An-An nodes. To the best of our knowledge, through combination of solid-state metathesis, guest incorporation, and capping linker installation, we were able to achieve the highest Th wt% in mono- and bi-actinide frameworks with minimal structural density. Overall, combination of a multistep synthetic approach with homogeneous actinide distribution and moderate solvothermal conditions could make MOFs an exceptionally powerful tool to address fundamental questions responsible for chemical behavior of An-based extended structures, and therefore, shed light on possible optimization of nuclear waste administration.

  17. SOCS-1 localizes to the microtubule organizing complex-associated 20S proteasome.

    Science.gov (United States)

    Vuong, Bao Q; Arenzana, Teresita L; Showalter, Brian M; Losman, Julie; Chen, X Peter; Mostecki, Justin; Banks, Alexander S; Limnander, Andre; Fernandez, Neil; Rothman, Paul B

    2004-10-01

    The regulation of cytokine signaling is critical for controlling cellular proliferation and activation during an immune response. SOCS-1 is a potent inhibitor of Jak kinase activity and of signaling initiated by several cytokines. SOCS-1 protein levels are tightly regulated, and recent data suggest that SOCS-1 may regulate the protein levels of some signaling proteins by the ubiquitin proteasome pathway; however, the cellular mechanism by which SOCS-1 directs proteins for degradation is unknown. In this report, SOCS-1 is found to colocalize and biochemically copurify with the microtubule organizing complex (MTOC) and its associated 20S proteasome. The SOCS-1 SH2 domain is required for the localization of SOCS-1 to the MTOC. Overexpression of SOCS-1 targets Jak1 in an SH2-dependent manner to a perinuclear distribution resembling the MTOC-associated 20S proteasome. Analysis of MTOCs fractionated from SOCS-1-deficient cells demonstrates that SOCS-1 may function redundantly to regulate the localization of Jak1 to the MTOC. Nocodazole inhibits the protein turnover of SOCS-1, demonstrating that the minus-end transport of SOCS-1 to the MTOC-associated 20S proteasome is required to regulate SOCS-1 protein levels. These data link SOCS-1 directly with the proteasome pathway and suggest another function for the SH2 domain of SOCS-1 in the regulation of Jak/STAT signaling.

  18. Managing complex workplace stress in health care organizations: leaders' perceived legitimacy conflicts.

    Science.gov (United States)

    Dellve, Lotta; Wikström, Ewa

    2009-12-01

    To conceptualize how health care leaders' strategies to increase their influence in their psychosocial work environment are experienced and handled, and may be supported. The complex nature of the psychosocial work environment with increased stress creates significant challenges for leaders in today's health care organizations. Interviews with health care leaders (n = 39) were analysed in accordance with constructivist grounded theory. Compound identities, loyalty commitments and professional interests shape conditions for leaders' influence. Strategies to achieve legitimacy were either to retain clinical skills and a strong occupational identity or to take a full leadership role. Ethical stress was experienced when organizational procedural or consequential legitimacy norms were in conflict with the leaders' own values. Leadership support through socializing processes and strategic support structures may be complementary or counteractive. Support programmes need to have a clear message related to decision-making processes and should facilitate communication between top management, human resource departments and subordinate leaders. Ethical stress from conflicting legitimacy principles may be moderated by clear policies for decision-making processes, strengthened sound networks and improved communication. Supportive programmes should include: (1) sequential and strategic systems for introducing new leaders and mentoring; (2) reflective dialogue and feedback; (3) team development; and (4) decision-making policies and processes.

  19. Experimental and computational studies on creatininium 4-nitrobenzoate - An organic proton transfer complex

    Science.gov (United States)

    Thirumurugan, R.; Anitha, K.

    2017-10-01

    A new organic proton transfer complex of creatininium 4-nitrobenzoate (C4NB) has been synthesized and its single crystals were grown successfully by slow evaporation technique. The grown single crystal was subjected to various characterization techniques like single crystal X-ray diffraction (SCXRD), FTIR, FT-Raman and Kurtz-Perry powder second harmonic generation (SHG). The SCXRD analysis revealed that C4NB was crystallized into orthorhombic crystal system, with noncentrosymmetric (NCS), P212121 space group. The creatininium cation and 4-nitrobenzoate anion were connected through a pair of N__H⋯O hydrogen bonds (N(3)__H(6) ⋯ O(3) (x+1, y, z) and N(2)__H(5) &ctdot O(2) (x-1/2, -y-1/2, -z+2)) and fashioned a R22(8) ring motif. The crystal structure was stabilized by strong N__H⋯O and weak C__H⋯O intermolecular interactions and it was quantitatively analysed by Hirshfeld surface and fingerprint (FP) analysis. FTIR and FT-Raman studies confirmed the vibrational modes of functional groups present in C4NB compound indubitably. SHG efficiency of grown crystal was 4.6 times greater than that of standard potassium dihydrogen phosphate (KDP) material. Moreover, density functional theory (DFT) studies such as Mulliken charge distribution, frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP) map, natural bond orbital analysis (NBO) and first order hyperpolarizability (β0) were calculated to explore the structure-property relationship.

  20. Adaptor protein complex 2-mediated endocytosis is crucial for male reproductive organ development in Arabidopsis.

    Science.gov (United States)

    Kim, Soo Youn; Xu, Zheng-Yi; Song, Kyungyoung; Kim, Dae Heon; Kang, Hyangju; Reichardt, Ilka; Sohn, Eun Ju; Friml, Jirí; Juergens, Gerd; Hwang, Inhwan

    2013-08-01

    Fertilization in flowering plants requires the temporal and spatial coordination of many developmental processes, including pollen production, anther dehiscence, ovule production, and pollen tube elongation. However, it remains elusive as to how this coordination occurs during reproduction. Here, we present evidence that endocytosis, involving heterotetrameric adaptor protein complex 2 (AP-2), plays a crucial role in fertilization. An Arabidopsis thaliana mutant ap2m displays multiple defects in pollen production and viability, as well as elongation of staminal filaments and pollen tubes, all of which are pivotal processes needed for fertilization. Of these abnormalities, the defects in elongation of staminal filaments and pollen tubes were partially rescued by exogenous auxin. Moreover, DR5rev:GFP (for green fluorescent protein) expression was greatly reduced in filaments and anthers in ap2m mutant plants. At the cellular level, ap2m mutants displayed defects in both endocytosis of N-(3-triethylammonium-propyl)-4-(4-diethylaminophenylhexatrienyl) pyridinium dibromide, a lypophilic dye used as an endocytosis marker, and polar localization of auxin-efflux carrier PIN FORMED2 (PIN2) in the stamen filaments. Moreover, these defects were phenocopied by treatment with Tyrphostin A23, an inhibitor of endocytosis. Based on these results, we propose that AP-2-dependent endocytosis plays a crucial role in coordinating the multiple developmental aspects of male reproductive organs by modulating cellular auxin level through the regulation of the amount and polarity of PINs.

  1. Hierarchical organization of functional connectivity in the mouse brain: a complex network approach.

    Science.gov (United States)

    Bardella, Giampiero; Bifone, Angelo; Gabrielli, Andrea; Gozzi, Alessandro; Squartini, Tiziano

    2016-08-18

    This paper represents a contribution to the study of the brain functional connectivity from the perspective of complex networks theory. More specifically, we apply graph theoretical analyses to provide evidence of the modular structure of the mouse brain and to shed light on its hierarchical organization. We propose a novel percolation analysis and we apply our approach to the analysis of a resting-state functional MRI data set from 41 mice. This approach reveals a robust hierarchical structure of modules persistent across different subjects. Importantly, we test this approach against a statistical benchmark (or null model) which constrains only the distributions of empirical correlations. Our results unambiguously show that the hierarchical character of the mouse brain modular structure is not trivially encoded into this lower-order constraint. Finally, we investigate the modular structure of the mouse brain by computing the Minimal Spanning Forest, a technique that identifies subnetworks characterized by the strongest internal correlations. This approach represents a faster alternative to other community detection methods and provides a means to rank modules on the basis of the strength of their internal edges.

  2. Carbon Chain Anions and the Growth of Complex Organic Molecules in Titan’s Ionosphere

    Science.gov (United States)

    Desai, R. T.; Coates, A. J.; Wellbrock, A.; Vuitton, V.; Crary, F. J.; González-Caniulef, D.; Shebanits, O.; Jones, G. H.; Lewis, G. R.; Waite, J. H.; Cordiner, M.; Taylor, S. A.; Kataria, D. O.; Wahlund, J.-E.; Edberg, N. J. T.; Sittler, E. C.

    2017-08-01

    Cassini discovered a plethora of neutral and ionized molecules in Titan’s ionosphere including, surprisingly, anions and negatively charged molecules extending up to 13,800 u q-1. In this Letter, we forward model the Cassini electron spectrometer response function to this unexpected ionospheric component to achieve an increased mass resolving capability for negatively charged species observed at Titan altitudes of 950-1300 km. We report on detections consistently centered between 25.8 and 26.0 u q-1 and between 49.0-50.1 u q-1 which are identified as belonging to the carbon chain anions, CN-/C3N- and/or C2H-/C4H-, in agreement with chemical model predictions. At higher ionospheric altitudes, detections at 73-74 u q-1 could be attributed to the further carbon chain anions C5N-/C6H- but at lower altitudes and during further encounters extend over a higher mass/charge range. This, as well as further intermediary anions detected at >100 u, provide the first evidence for efficient anion chemistry in space involving structures other than linear chains. Furthermore, at altitudes below environments where chain anions have been observed and shows that anion chemistry plays a role in the formation of complex organics within a planetary atmosphere as well as in the interstellar medium.

  3. Residual Complexity Does Impact Organic Chemistry and Drug Discovery: The Case of Rufomyazine and Rufomycin.

    Science.gov (United States)

    Choules, Mary P; Klein, Larry L; Lankin, David C; McAlpine, James B; Cho, Sang-Hyun; Cheng, Jinhua; Lee, Hanki; Suh, Joo-Won; Jaki, Birgit U; Franzblau, Scott G; Pauli, Guido F

    2018-05-24

    Residual complexity (RC) involves the impact of subtle but critical structural and biological features on drug lead validation, including unexplained effects related to unidentified impurities. RC commonly plagues drug discovery efforts due to the inherent imperfections of chromatographic separation methods. The new diketopiperazine, rufomyazine (6), and the previously known antibiotic, rufomycin (7), represent a prototypical case of RC that (almost) resulted in the misassignment of biological activity. The case exemplifies that impurities well below the natural abundance of 13 C (1.1%) can be highly relevant and calls for advanced analytical characterization of drug leads with extended molar dynamic ranges of >1:1,000 using qNMR and LC-MS. Isolated from an actinomycete strain, 6 was originally found to be active against Mycobacterium tuberculosis with a minimum inhibitory concentration (MIC) of 2 μg/mL and high selectivity. As a part of lead validation, the dipeptide was synthesized and surprisingly found to be inactive. The initially observed activity was eventually attributed to a very minor contamination (0.24% [m/m]) with a highly active cyclic peptide (MIC ∼ 0.02 μM), subsequently identified as an analogue of 7. This study illustrates the serious implications RC can exert on organic chemistry and drug discovery, and what efforts are vital to improve lead validation and efficiency, especially in NP-related drug discovery programs.

  4. The width of the lateral element of the synaptonemal complex is determined by a multilayered organization of its components

    Energy Technology Data Exchange (ETDEWEB)

    Ortiz, Rosario, E-mail: r_oh@ciencias.unam.mx [Laboratorio de Microscopía Electrónica, Facultad de Ciencias, Universidad Nacional Autónoma de México, México DF 04510, México (Mexico); Kouznetsova, Anna, E-mail: Anna.Kouznetsova@ki.se [Department of Cell and Molecular Biology, Karolinska Institutet, Berzelius väg 35, 171 77 Stockholm (Sweden); Echeverría-Martínez, Olga M., E-mail: omem@ciencias.unam.mx [Laboratorio de Microscopía Electrónica, Facultad de Ciencias, Universidad Nacional Autónoma de México, México DF 04510, México (Mexico); Vázquez-Nin, Gerardo H., E-mail: vazqueznin@ciencias.unam.mx [Laboratorio de Microscopía Electrónica, Facultad de Ciencias, Universidad Nacional Autónoma de México, México DF 04510, México (Mexico); Hernández-Hernández, Abrahan, E-mail: abrahan.hernandez@ki.se [Department of Cell and Molecular Biology, Karolinska Institutet, Berzelius väg 35, 171 77 Stockholm (Sweden)

    2016-05-15

    The synaptonemal complex (SC) is a proteinaceous structure that holds the homologous chromosomes in close proximity while they exchange genetic material in a process known as meiotic recombination. This meiotic recombination leads to genetic variability in sexually reproducing organisms. The ultrastructure of the SC is studied by electron microscopy and it is observed as a tripartite structure. Two lateral elements (LE) separated by a central region (CR) confer its classical tripartite organization. The LEs are the anchoring platform for the replicated homologous chromosomes to properly exchange genetic material with one another. An accurate assembly of the LE is indispensable for the proper completion of meiosis. Ultrastructural studies suggested that the LE is organized as a multilayered unit. However, no validation of this model has been previously provided. In this ultrastructural study, by using mice with different genetic backgrounds that affect the LE width, we provide further evidence that support a multilayered organization of the LE. Additionally, we provide data suggesting additional roles of the different cohesin complex components in the structure of the LEs of the SC. - Highlights: • The lateral element of the synaptonemal complex is a multilayered structure. • The width of the lateral element in synaptonemal complex-null mice is different. • Two cohesin complex cores plus one axial element form a wild-type lateral element. • The layers of the lateral element can be analyzed in different null mice models.

  5. Abnormal fetal cerebral laminar organization in cobblestone complex as seen on post-mortem MRI and DTI

    International Nuclear Information System (INIS)

    Widjaja, Elysa; Geibprasert, Sasikhan; Blaser, Susan; Rayner, Tammy; Shannon, Patrick

    2009-01-01

    We report a unique case of cobblestone complex using post-mortem MR and diffusion tensor imaging to assess the laminar organization of the fetal cerebrum. The imaging findings were correlated with autopsy findings. Abnormal cortical development in cobblestone complex resulted in disruption of normal laminar organization of the fetal brain, which was seen as interruption and nodularity of the high-signal T1 cortical band with increased anisotropy and medium diffusivity extending beyond the cortical band into the cerebral mantle on post-mortem MR and diffusion tensor imaging. (orig.)

  6. Abnormal fetal cerebral laminar organization in cobblestone complex as seen on post-mortem MRI and DTI

    Energy Technology Data Exchange (ETDEWEB)

    Widjaja, Elysa; Geibprasert, Sasikhan; Blaser, Susan; Rayner, Tammy [Hospital for Sick Children, Department of Diagnostic Imaging, Toronto (Canada); Shannon, Patrick [University of Toronto, Department of Pathology, Mount Sinai Hospital, Toronto (Canada)

    2009-08-15

    We report a unique case of cobblestone complex using post-mortem MR and diffusion tensor imaging to assess the laminar organization of the fetal cerebrum. The imaging findings were correlated with autopsy findings. Abnormal cortical development in cobblestone complex resulted in disruption of normal laminar organization of the fetal brain, which was seen as interruption and nodularity of the high-signal T1 cortical band with increased anisotropy and medium diffusivity extending beyond the cortical band into the cerebral mantle on post-mortem MR and diffusion tensor imaging. (orig.)

  7. The Antitriangular Factorization of Saddle Point Matrices

    KAUST Repository

    Pestana, J.

    2014-01-01

    Mastronardi and Van Dooren [SIAM J. Matrix Anal. Appl., 34 (2013), pp. 173-196] recently introduced the block antitriangular ("Batman") decomposition for symmetric indefinite matrices. Here we show the simplification of this factorization for saddle point matrices and demonstrate how it represents the common nullspace method. We show that rank-1 updates to the saddle point matrix can be easily incorporated into the factorization and give bounds on the eigenvalues of matrices important in saddle point theory. We show the relation of this factorization to constraint preconditioning and how it transforms but preserves the structure of block diagonal and block triangular preconditioners. © 2014 Society for Industrial and Applied Mathematics.

  8. Polynomial sequences generated by infinite Hessenberg matrices

    Directory of Open Access Journals (Sweden)

    Verde-Star Luis

    2017-01-01

    Full Text Available We show that an infinite lower Hessenberg matrix generates polynomial sequences that correspond to the rows of infinite lower triangular invertible matrices. Orthogonal polynomial sequences are obtained when the Hessenberg matrix is tridiagonal. We study properties of the polynomial sequences and their corresponding matrices which are related to recurrence relations, companion matrices, matrix similarity, construction algorithms, and generating functions. When the Hessenberg matrix is also Toeplitz the polynomial sequences turn out to be of interpolatory type and we obtain additional results. For example, we show that every nonderogative finite square matrix is similar to a unique Toeplitz-Hessenberg matrix.

  9. Charge-Transfer Dynamics in the Lowest Excited State of a Pentacene–Fullerene Complex: Implications for Organic Solar Cells

    KAUST Repository

    Joseph, Saju

    2017-10-02

    We characterize the dynamic nature of the lowest excited state in a pentacene/C60 complex on the femtosecond time scale, via a combination of ab initio molecular dynamics and time-dependent density functional theory. We analyze the correlations between the molecular vibrations of the complex and the oscillations in the electron-transfer character of its lowest excited state, which point to vibration-induced coherences between the (pentacene-based) local-excitation (LE) state and the complex charge-transfer (CT) state. We discuss the implications of our results on this model system for the exciton-dissociation process in organic solar cells.

  10. Modular Extracellular Matrices: Solutions for the Puzzle

    Science.gov (United States)

    Serban, Monica A.; Prestwich, Glenn D.

    2008-01-01

    The common technique of growing cells in two-dimensions (2-D) is gradually being replaced by culturing cells on matrices with more appropriate composition and stiffness, or by encapsulation of cells in three-dimensions (3-D). The universal acceptance of the new 3-D paradigm has been constrained by the absence of a commercially available, biocompatible material that offers ease of use, experimental flexibility, and a seamless transition from in vitro to in vivo applications. The challenge – the puzzle that needs a solution – is to replicate the complexity of the native extracellular matrix (ECM) environment with the minimum number of components necessary to allow cells to rebuild and replicate a given tissue. For use in drug discovery, toxicology, cell banking, and ultimately in reparative medicine, the ideal matrix would therefore need to be highly reproducible, manufacturable, approvable, and affordable. Herein we describe the development of a set of modular components that can be assembled into biomimetic materials that meet these requirements. These semi-synthetic ECMs, or sECMs, are based on hyaluronan derivatives that form covalently crosslinked, biodegradable hydrogels suitable for 3-D culture of primary and stem cells in vitro, and for tissue formation in vivo. The sECMs can be engineered to provide appropriate biological cues needed to recapitulate the complexity of a given ECM environment. Specific applications for different sECM compositions include stem cell expansion with control of differentiation, scar-free wound healing, growth factor delivery, cell delivery for osteochondral defect and liver repair, and development of vascularized tumor xenografts for personalized chemotherapy. PMID:18442709

  11. Labelling and Organ Distrbution Characterisics of 99mTc Galacturonate Complex Using Dithionite as Reducing Agent

    International Nuclear Information System (INIS)

    Al Hilli, A.M.; Mirza, K.S.; Al Noori, T.H.J.

    2000-01-01

    The labelling conditions of 99m T c-galacturonate complex using dithionite as reducing agent for periechnetate have been described. GCS-method has been applied for radiochemical determination of the labelled complex. At a constant amount of the ligand (50mg) in the preparation, high labelling of 99m Tc -galacturonate complex was obtained in the presence of the reducing agent. The effect of pH on the labelling yield have show that labelling occurs only at near neutral to slightly alkaline pH. The organ distribution results of 99m Tc -galacturonate complex as a function of the reducing agent concentration was achieved in rats. On using 8mg of dithionite as reducing agent,the activity uptake in the kindneys was significantly low, while in the bones was higher, but decreased after 1 hr. of injection. This,however is due to the instability of the labelled complex releasing pertechnetate which was evident by the increase of activity in the stomach. The organ distribution picture of the complex has been reversed by increasing the concentration of dithionite(16 mg) in the preparation,where the activity uptake in the kidnys was increased to higher level and in the bones was decreased.The activity in the stomach was rather low indicating a more stable complex towards oxidation or decomposition

  12. Influence of the substitution of β-cyclodextrins by cationic groups on the complexation of organic anions

    International Nuclear Information System (INIS)

    Hbaieb, S.; Kalfat, R.; Chevalier, Y.; Amdouni, N.; Parrot-Lopez, H.

    2008-01-01

    The inclusion complexation of the organic anion, dansyl-acid, by cationic derivatives of β-cyclodextrin has been investigated. A series of cationic β-cyclodextrins with various positive charge has been synthesized by selective functionalization of the primary face of β-cyclodextrin with amino groups. The complexes were of the 1:1 stoichiometry; the stability constants (K 11 ) have been evaluated from UV-Vis measurements by application of the Benesi-Hildebrand equation. The presence of amino groups increased the complexation ability. β-cyclodextrin fully substituted at the primary face with amino groups showed the strongest inclusion binding ability towards the dansyl-acid guest. The enhanced complexation for anions was ascribed to the cationic amino groups. A simple thermodynamic model of the electrostatic contribution to the complexation is presented

  13. Influence of the substitution of {beta}-cyclodextrins by cationic groups on the complexation of organic anions

    Energy Technology Data Exchange (ETDEWEB)

    Hbaieb, S. [U.R. Physico-Chimie des Materiaux Solides, Faculte des Sciences de Tunis, Manar II, 2092 Tunis (Tunisia)], E-mail: Souhairabouchaira@yahoo.fr; Kalfat, R. [U.R. Physico-Chimie des Materiaux Solides, Faculte des Sciences de Tunis, Manar II, 2092 Tunis (Tunisia); Chevalier, Y. [Laboratoire d' Automatique et de Genie des Procedes (LAGEP), UMR 5007 CNRS-Universite Claude Bernard Lyon 1, 69622 Villeurbanne (France)], E-mail: chevalier@lagep.univ-lyon1.fr; Amdouni, N. [U.R. Physico-Chimie des Materiaux Solides, Faculte des Sciences de Tunis, Manar II, 2092 Tunis (Tunisia); Parrot-Lopez, H. [Institut de Chimie et Biochimie Moleculaires et Supramoleculaires (ICBMS), UMR 5246 CNRS-Universite Claude Bernard Lyon 1, 69622 Villeurbanne (France)], E-mail: helene.parrot@univ-lyon1.fr

    2008-07-01

    The inclusion complexation of the organic anion, dansyl-acid, by cationic derivatives of {beta}-cyclodextrin has been investigated. A series of cationic {beta}-cyclodextrins with various positive charge has been synthesized by selective functionalization of the primary face of {beta}-cyclodextrin with amino groups. The complexes were of the 1:1 stoichiometry; the stability constants (K{sub 11}) have been evaluated from UV-Vis measurements by application of the Benesi-Hildebrand equation. The presence of amino groups increased the complexation ability. {beta}-cyclodextrin fully substituted at the primary face with amino groups showed the strongest inclusion binding ability towards the dansyl-acid guest. The enhanced complexation for anions was ascribed to the cationic amino groups. A simple thermodynamic model of the electrostatic contribution to the complexation is presented.

  14. Modeling of catalytically active metal complex species and intermediates in reactions of organic halides electroreduction.

    Science.gov (United States)

    Lytvynenko, Anton S; Kolotilov, Sergey V; Kiskin, Mikhail A; Eremenko, Igor L; Novotortsev, Vladimir M

    2015-02-28

    The results of quantum chemical modeling of organic and metal-containing intermediates that occur in electrocatalytic dehalogenation reactions of organic chlorides are presented. Modeling of processes that take place in successive steps of the electrochemical reduction of representative C1 and C2 chlorides - CHCl3 and Freon R113 (1,1,2-trifluoro-1,2,2-trichloroethane) - was carried out by density functional theory (DFT) and second-order Møller-Plesset perturbation theory (MP2). It was found that taking solvation into account using an implicit solvent model (conductor-like screening model, COSMO) or considering explicit solvent molecules gave similar results. In addition to modeling of simple non-catalytic dehalogenation, processes with a number of complexes and their reduced forms, some of which were catalytically active, were investigated by DFT. Complexes M(L1)2 (M = Fe, Co, Ni, Cu, Zn, L1H = Schiff base from 2-pyridinecarbaldehyde and the hydrazide of 4-pyridinecarboxylic acid), Ni(L2) (H2L2 is the Schiff base from salicylaldehyde and 1,2-ethylenediamine, known as salen) and Co(L3)2Cl2, representing a fragment of a redox-active coordination polymer [Co(L3)Cl2]n (L3 is the dithioamide of 1,3-benzenedicarboxylic acid), were considered. Gradual changes in electronic structure in a series of compounds M(L1)2 were observed, and correlations between [M(L1)2](0) spin-up and spin-down LUMO energies and the relative energies of the corresponding high-spin and low-spin reduced forms, as well as the shape of the orbitals, were proposed. These results can be helpful for determination of the nature of redox-processes in similar systems by DFT. No specific covalent interactions between [M(L1)2](-) and the R113 molecule (M = Fe, Co, Ni, Zn) were found, which indicates that M(L1)2 electrocatalysts act rather like electron transfer mediators via outer-shell electron transfer. A relaxed surface scan of the adducts {M(L1)2·R113}(-) (M = Ni or Co) versus the distance between the

  15. Synchronous correlation matrices and Connes’ embedding conjecture

    Energy Technology Data Exchange (ETDEWEB)

    Dykema, Kenneth J., E-mail: kdykema@math.tamu.edu [Department of Mathematics, Texas A& M University, College Station, Texas 77843-3368 (United States); Paulsen, Vern, E-mail: vern@math.uh.edu [Department of Mathematics, University of Houston, Houston, Texas 77204 (United States)

    2016-01-15

    In the work of Paulsen et al. [J. Funct. Anal. (in press); preprint arXiv:1407.6918], the concept of synchronous quantum correlation matrices was introduced and these were shown to correspond to traces on certain C*-algebras. In particular, synchronous correlation matrices arose in their study of various versions of quantum chromatic numbers of graphs and other quantum versions of graph theoretic parameters. In this paper, we develop these ideas further, focusing on the relations between synchronous correlation matrices and microstates. We prove that Connes’ embedding conjecture is equivalent to the equality of two families of synchronous quantum correlation matrices. We prove that if Connes’ embedding conjecture has a positive answer, then the tracial rank and projective rank are equal for every graph. We then apply these results to more general non-local games.

  16. Discrete canonical transforms that are Hadamard matrices

    International Nuclear Information System (INIS)

    Healy, John J; Wolf, Kurt Bernardo

    2011-01-01

    The group Sp(2,R) of symplectic linear canonical transformations has an integral kernel which has quadratic and linear phases, and which is realized by the geometric paraxial optical model. The discrete counterpart of this model is a finite Hamiltonian system that acts on N-point signals through N x N matrices whose elements also have a constant absolute value, although they do not form a representation of that group. Those matrices that are also unitary are Hadamard matrices. We investigate the manifolds of these N x N matrices under the Sp(2,R) equivalence imposed by the model, and find them to be on two-sided cosets. By means of an algorithm we determine representatives that lead to collections of mutually unbiased bases.

  17. ESTIMATION OF FUNCTIONALS OF SPARSE COVARIANCE MATRICES.

    Science.gov (United States)

    Fan, Jianqing; Rigollet, Philippe; Wang, Weichen

    High-dimensional statistical tests often ignore correlations to gain simplicity and stability leading to null distributions that depend on functionals of correlation matrices such as their Frobenius norm and other ℓ r norms. Motivated by the computation of critical values of such tests, we investigate the difficulty of estimation the functionals of sparse correlation matrices. Specifically, we show that simple plug-in procedures based on thresholded estimators of correlation matrices are sparsity-adaptive and minimax optimal over a large class of correlation matrices. Akin to previous results on functional estimation, the minimax rates exhibit an elbow phenomenon. Our results are further illustrated in simulated data as well as an empirical study of data arising in financial econometrics.

  18. The Antitriangular Factorization of Saddle Point Matrices

    KAUST Repository

    Pestana, J.; Wathen, A. J.

    2014-01-01

    Mastronardi and Van Dooren [SIAM J. Matrix Anal. Appl., 34 (2013), pp. 173-196] recently introduced the block antitriangular ("Batman") decomposition for symmetric indefinite matrices. Here we show the simplification of this factorization for saddle

  19. Formation and Atmosphere of Complex Organic Molecules of the HH 212 Protostellar Disk

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chin-Fei; Ho, Paul T. P.; Hirano, Naomi; Shang, Hsien [Academia Sinica Institute of Astronomy and Astrophysics, P.O. Box 23-141, Taipei 106, Taiwan (China); Li, Zhi-Yun [Astronomy Department, University of Virginia, Charlottesville, VA 22904 (United States); Zhang, Qizhou, E-mail: cflee@asiaa.sinica.edu.tw [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

    2017-07-01

    HH 212 is a nearby (400 pc) Class 0 protostellar system recently found to host a “hamburger”-shaped dusty disk with a radius of ∼60 au, deeply embedded in an infalling-rotating flattened envelope. We have spatially resolved this envelope-disk system with the Atacama Large Millimeter/submillimeter Array at up to ∼16 au (0.″04) resolution. The envelope is detected in HCO{sup +} J = 4–3 down to the dusty disk. Complex organic molecules (COMs) and doubly deuterated formaldehyde (D{sub 2}CO) are detected above and below the dusty disk within ∼40 au of the central protostar. The COMs are methanol (CH{sub 3}OH), deuterated methanol (CH{sub 2}DOH), methyl mercaptan (CH{sub 3}SH), and formamide (NH{sub 2}CHO, a prebiotic precursor). We have modeled the gas kinematics in HCO{sup +} and COMs and found a centrifugal barrier (CB) at a radius of ∼44 au, within which a Keplerian rotating disk is formed. This indicates that HCO{sup +} traces the infalling-rotating envelope down to the CB and COMs trace the atmosphere of a Keplerian rotating disk within the CB. The COMs are spatially resolved for the first time, both radially and vertically, in the atmosphere of a disk in the earliest, Class 0 phase of star formation. Our spatially resolved observations of COMs favor their formation in the disk rather than a rapidly infalling (warm) inner envelope. The abundances and spatial distributions of the COMs provide strong constraints on models of their formation and transport in low-mass star formation.

  20. THE SPATIAL DISTRIBUTION OF COMPLEX ORGANIC MOLECULES IN THE L1544 PRE-STELLAR CORE

    Energy Technology Data Exchange (ETDEWEB)

    Jiménez-Serra, Izaskun [Astronomy Unit, School of Physics and Astronomy, Queen Mary University of London, Mile End Road, London E1 4NS (United Kingdom); Vasyunin, Anton I.; Caselli, Paola [Max-Planck-Institut für extraterrestrische Physik (MPE), Gießenbachstr., D-85741 Garching (Germany); Marcelino, Nuria [INAF, Osservatorio di Radioastronomia, Via P. Gobetti 101, I-40129 Bologna (Italy); Billot, Nicolas [Instituto de Radioastronomía Milimétrica, Avenida Divina Pastora 7, E-18012 Granada (Spain); Viti, Serena [Department of Physics and Astronomy, University College London, 132 Hampstead Road, London NW1 2PS (United Kingdom); Testi, Leonardo [European Southern Observatory (ESO), Karl-Schwarzschild-Str. 2, D-85748 Garching (Germany); Vastel, Charlotte [Université de Toulouse, UPS-OMP, IRAP, F-31400 Toulouse (France); Lefloch, Bertrand [Univ. Grenoble Alpes, IPAG, F-38000 Grenoble (France); Bachiller, Rafael, E-mail: i.jimenez-serra@qmul.ac.uk [Observatorio Astronómico Nacional (OAN, IGN), Calle Alfonso XII 3, E-28014 Madrid (Spain)

    2016-10-10

    The detection of complex organic molecules (COMs) toward cold sources such as pre-stellar cores (with T < 10 K) has challenged our understanding of the formation processes of COMs in the interstellar medium. Recent modeling on COM chemistry at low temperatures has provided new insight into these processes predicting that COM formation depends strongly on parameters such as visual extinction and the level of CO freeze out. We report deep observations of COMs toward two positions in the L1544 pre-stellar core: the dense, highly extinguished continuum peak with A{sub V}≥ 30 mag within the inner 2700 au; and a low-density shell with average A{sub V}∼ 7.5–8 mag located at 4000 au from the core’s center and bright in CH{sub 3}OH. Our observations show that CH{sub 3}O, CH{sub 3}OCH{sub 3}, and CH{sub 3}CHO are more abundant (by factors of ∼2–10) toward the low-density shell than toward the continuum peak. Other COMs such as CH{sub 3}OCHO, c-C{sub 3}H{sub 2}O, HCCCHO, CH{sub 2}CHCN, and HCCNC show slight enhancements (by factors ≤3), but the associated uncertainties are large. This suggests that COMs are actively formed and already present in the low-density shells of pre-stellar cores. The modeling of the chemistry of O-bearing COMs in L1544 indicates that these species are enhanced in this shell because (i) CO starts freezing out onto dust grains driving an active surface chemistry; (ii) the visual extinction is sufficiently high to prevent the UV photo-dissociation of COMs by the external interstellar radiation field; and (iii) the density is still moderate to prevent severe depletion of COMs onto grains.