Sample records for base catalyzed decomposition

  1. ENVIRONMENTAL ASSESSMENT OF THE BASE CATALYZED DECOMPOSITION (BCD) PROCESS

    EPA Science Inventory

    This report summarizes laboratory-scale, pilot-scale, and field performance data on BCD (Base Catalyzed Decomposition) and technology, collected to date by various governmental, academic, and private organizations.

  2. MEMS-Based Satellite Micropropulsion Via Catalyzed Hydrogen Peroxide Decomposition

    NASA Technical Reports Server (NTRS)

    Hitt, Darren L.; Zakrzwski, Charles M.; Thomas, Michael A.; Bauer, Frank H. (Technical Monitor)

    2001-01-01

    Micro-electromechanical systems (MEMS) techniques offer great potential in satisfying the mission requirements for the next generation of "micro-scale" satellites being designed by NASA and Department of Defense agencies. More commonly referred to as "nanosats", these miniature satellites feature masses in the range of 10-100 kg and therefore have unique propulsion requirements. The propulsion systems must be capable of providing extremely low levels of thrust and impulse while also satisfying stringent demands on size, mass, power consumption and cost. We begin with an overview of micropropulsion requirements and some current MEMS-based strategies being developed to meet these needs. The remainder of the article focuses the progress being made at NASA Goddard Space Flight Center towards the development of a prototype monopropellant MEMS thruster which uses the catalyzed chemical decomposition of high concentration hydrogen peroxide as a propulsion mechanism. The products of decomposition are delivered to a micro-scale converging/diverging supersonic nozzle which produces the thrust vector; the targeted thrust level approximately 500 N with a specific impulse of 140-180 seconds. Macro-scale hydrogen peroxide thrusters have been used for satellite propulsion for decades; however, the implementation of traditional thruster designs on a MEMS scale has uncovered new challenges in fabrication, materials compatibility, and combustion and hydrodynamic modeling. A summary of the achievements of the project to date is given, as is a discussion of remaining challenges and future prospects.

  3. Nano or micro? A mechanism on thermal decomposition of ammonium perchlorate catalyzed by cobalt oxalate.

    PubMed

    Zou, Min; Jiang, Xiaohong; Lu, Lude; Wang, Xin

    2012-07-30

    Micrometer-sized cobalt oxalates with different morphologies have been prepared in the presence of surfactants. The effect of catalysts morphology on the thermal decomposition of ammonium perchlorate (AP) was evaluated by differential thermal analysis (DSC). Remarkably, contrary to the well-accepted concepts, no direct relationship between the morphologies of catalysts and their activities has been observed. Based on the structural and morphological variation of the catalysts during the reaction, a catalytic mechanism on thermal decomposition of ammonium perchlorate catalyzed by cobalt oxalate is proposed. We believe that it is the "self-crushing and self-distributed" occurred within the reaction that really works for the improvement of the overall catalytic activities. In this process, both catalysts and reactants have been crashed and distributed uniformly in an automatic way. This work provides an in-depth insight into the thermal decomposition mechanism of AP as catalyzed by oxalates. Copyright © 2012 Elsevier B.V. All rights reserved.

  4. Kinetics of the Decomposition of Hydrogen Peroxide Catalyzed by Ferric Ethylenediaminetetraacetate Complex

    PubMed Central

    Walling, Cheves; Partch, Richard E.; Weil, Tomas

    1975-01-01

    Added substrates, acetone and t-butyl alcohol, strongly retard the decomposition of H2O2 brought about by ferric ethylenediaminetetraacetate (EDTA) at pH 8-9.5. Their relative effectiveness and the kinetic form of the retardation are consistent with their interruption of a hydroxyl radical chain that is propagated by HO· attack both upon H2O2 and on complexed and uncomplexed EDTA. Similar retardation is observed with decompositions catalyzed by ferric nitrilotriacetate and hemin, and it is proposed that such redox chains may be quite a general path for transition metal ion catalysis of H2O2 decomposition. PMID:16592209

  5. BASE-CATALYZED DESTRUCTION OF PCBS-NEW DONORS, NEW TRANSFER AGENTS/CATALYSTS

    EPA Science Inventory

    The use of hydrogen transfer agents and catalysts to improve the base-catalyzed decomposition of polychlorinated biphenyls (PCBs) was investigated. The reaction proceeded only in the presence of base, but the rate of PCB disappearance increased with increasing amount of hydrogen ...

  6. Efficient Method for the Determination of the Activation Energy of the Iodide-Catalyzed Decomposition of Hydrogen Peroxide

    ERIC Educational Resources Information Center

    Sweeney, William; Lee, James; Abid, Nauman; DeMeo, Stephen

    2014-01-01

    An experiment is described that determines the activation energy (E[subscript a]) of the iodide-catalyzed decomposition reaction of hydrogen peroxide in a much more efficient manner than previously reported in the literature. Hydrogen peroxide, spontaneously or with a catalyst, decomposes to oxygen and water. Because the decomposition reaction is…

  7. Demonstration of base catalyzed decomposition process, Navy Public Works Center, Guam, Mariana Islands

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schmidt, A.J.; Freeman, H.D.; Brown, M.D.

    1996-02-01

    Base Catalyzed Decomposition (BCD) is a chemical dehalogenation process designed for treating soils and other substrate contaminated with polychlorinated biphenyls (PCB), pesticides, dioxins, furans, and other hazardous organic substances. PCBs are heavy organic liquids once widely used in industry as lubricants, heat transfer oils, and transformer dielectric fluids. In 1976, production was banned when PCBs were recognized as carcinogenic substances. It was estimated that significant quantities (one billion tons) of U.S. soils, including areas on U.S. military bases outside the country, were contaminated by PCB leaks and spills, and cleanup activities began. The BCD technology was developed in response tomore » these activities. This report details the evolution of the process, from inception to deployment in Guam, and describes the process and system components provided to the Navy to meet the remediation requirements. The report is divided into several sections to cover the range of development and demonstration activities. Section 2.0 gives an overview of the project history. Section 3.0 describes the process chemistry and remediation steps involved. Section 4.0 provides a detailed description of each component and specific development activities. Section 5.0 details the testing and deployment operations and provides the results of the individual demonstration campaigns. Section 6.0 gives an economic assessment of the process. Section 7.0 presents the conclusions and recommendations form this project. The appendices contain equipment and instrument lists, equipment drawings, and detailed run and analytical data.« less

  8. Behaviors of glucose decomposition during acid-catalyzed hydrothermal hydrolysis of pretreated Gelidium amansii.

    PubMed

    Jeong, Tae Su; Choi, Chang Ho; Lee, Ji Ye; Oh, Kyeong Keun

    2012-07-01

    Acid-catalyzed hydrothermal hydrolysis is one path to cellulosic glucose and subsequently to its dehydration end products such as hydroxymethyl furfural (HMF), formic acid and levulinic acid. The effect of sugar decomposition not only lowers the yield of fermentable sugars but also forms decomposition products that inhibit subsequent fermentation. The present experiments were conducted with four different acid catalysts (H(2)SO(4), HNO(3), HCl, and H(3)PO(4)) at various acid normalities (0.5-2.1N) in batch reactors at 180-210 °C. From the results, H(2)SO(4) was the most suitable catalyst for glucose production, but glucose decomposition occurred during the hydrolysis. The glucose production was maximized at 160.7 °C, 2.0% (w/v) H(2)SO(4), and 40 min, but resulted in a low glucan yield of 33.05% due to the decomposition reactions, which generated formic acid and levulinic acid. The highest concentration of levulinic acid, 7.82 g/L, was obtained at 181.2 °C, 2.0% (w/v) H(2)SO(4), and 40 min. Copyright © 2012 Elsevier Ltd. All rights reserved.

  9. Kinetics of Platinum-Catalyzed Decomposition of Hydrogen Peroxide

    NASA Astrophysics Data System (ADS)

    Vetter, Tiffany A.; Colombo, D. Philip, Jr.

    2003-07-01

    CIBA Vision Corporation markets a contact lens cleaning system that consists of an AOSEPT disinfectant solution and an AOSEPT lens cup. The disinfectant is a buffered 3.0% m/v hydrogen peroxide solution and the cup includes a platinum-coated AOSEPT disc. The hydrogen peroxide disinfects by killing bacteria, fungi, and viruses found on the contact lenses. Because the concentration of hydrogen peroxide needed to disinfect is irritating to eyes, the hydrogen peroxide needs to be neutralized, or decomposed, before the contact lenses can be used again. A general chemistry experiment is described where the kinetics of the catalyzed decomposition of the hydrogen peroxide are studied by measuring the amount of oxygen generated as a function of time. The order of the reaction with respect to the hydrogen peroxide, the rate constant, and the energy of activation are determined. The integrated rate law is used to determine the time required to decompose the hydrogen peroxide to a concentration that is safe for eyes.

  10. Gas Pressure Monitored Iodide-Catalyzed Decomposition Kinetics of H[subscript 2]O[subscript 2]: Initial-Rate and Integrated-Rate Methods in the General Chemistry Lab

    ERIC Educational Resources Information Center

    Nyasulu, Frazier; Barlag, Rebecca

    2010-01-01

    The reaction kinetics of the iodide-catalyzed decomposition of [subscript 2]O[subscript 2] using the integrated-rate method is described. The method is based on the measurement of the total gas pressure using a datalogger and pressure sensor. This is a modification of a previously reported experiment based on the initial-rate approach. (Contains 2…

  11. EVALUATION OF THE FULL-SCALE BASE CATALYZED DECOMPOSITION PROCESS (BCDP) UNIT LOCATED IN GUAM

    EPA Science Inventory

    This report summarizes performance data collected in February 1997 on the removal of polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins (PCDDs), and polychlorinated dibenzofurans (PCDFs) from soil fed to a first-stage rotary kiln reactor of the Base Catalyzed Dec...

  12. In-situ and self-distributed: A new understanding on catalyzed thermal decomposition process of ammonium perchlorate over Nd{sub 2}O{sub 3}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zou, Min, E-mail: zoumin3362765@163.com; Wang, Xin, E-mail: wangx@mail.njust.edu.cn; Jiang, Xiaohong, E-mail: jxh0668@sina.com

    2014-05-01

    Catalyzed thermal decomposition process of ammonium perchlorate (AP) over neodymium oxide (Nd{sub 2}O{sub 3}) was investigated. Catalytic performances of nanometer-sized Nd{sub 2}O{sub 3} and micrometer-sized Nd{sub 2}O{sub 3} were evaluated by differential scanning calorimetry (DSC). In contrast to universal concepts, catalysts in different sizes have nearly similar catalytic activities. Based on structural and morphological variation of the catalysts during the reaction, combined with mass spectrum analyses and studies of unmixed style, a new understanding of this catalytic process was proposed. We believed that the newly formed chloride neodymium oxide (NdOCl) was the real catalytic species in the overall thermal decompositionmore » of AP over Nd{sub 2}O{sub 3}. Meanwhile, it was the “self-distributed” procedure which occurred within the reaction that also worked for the improvement of overall catalytic activities. This work is of great value in understanding the roles of micrometer-sized catalysts used in heterogeneous reactions, especially the solid–solid reactions which could generate a large quantity of gaseous species. - Graphical abstract: In-situ and self-distributed reaction process in thermal decomposition of AP catalyzed by Nd{sub 2}O{sub 3}. - Highlights: • Micro- and nano-Nd{sub 2}O{sub 3} for catalytic thermal decomposition of AP. • No essential differences on their catalytic performances. • Structural and morphological variation of catalysts digs out catalytic mechanism. • This catalytic process is “in-situ and self-distributed” one.« less

  13. Environmental life-cycle comparisons of two polychlorinated biphenyl remediation technologies: incineration and base catalyzed decomposition.

    PubMed

    Hu, Xintao; Zhu, Jianxin; Ding, Qiong

    2011-07-15

    Remediation action is critical for the management of polychlorinated biphenyl (PCB) contaminated sites. Dozens of remediation technologies developed internationally could be divided in two general categories incineration and non-incineration. In this paper, life cycle assessment (LCA) was carried out to study the environmental impacts of these two kinds of remediation technologies in selected PCB contaminated sites, where Infrared High Temperature Incineration (IHTI) and Base Catalyzed Decomposition (BCD) were selected as representatives of incineration and non-incineration. A combined midpoint/damage approach was adopted by using SimaPro 7.2 and IMPACTA2002+ to assess the human toxicity, ecotoxicity, climate change impact, and resource consumption from the five subsystems of IHTI and BCD technologies, respectively. It was found that the major environmental impacts through the whole lifecycle arose from energy consumption in both IHTI and BCD processes. For IHTI, primary and secondary combustion subsystem contributes more than 50% of midpoint impacts concerning with carcinogens, respiratory inorganics, respiratory organics, terrestrial ecotoxity, terrestrial acidification/eutrophication and global warming. In BCD process, the rotary kiln reactor subsystem presents the highest contribution to almost all the midpoint impacts including global warming, non-renewable energy, non-carcinogens, terrestrial ecotoxity and respiratory inorganics. In the view of midpoint impacts, the characterization values for global warming from IHTI and BCD were about 432.35 and 38.5 kg CO(2)-eq per ton PCB-containing soils, respectively. LCA results showed that the single score of BCD environmental impact was 1468.97 Pt while IHTI's score is 2785.15 Pt, which indicates BCD potentially has a lower environmental impact than IHTI technology in the PCB contaminated soil remediation process. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Catalyzed sodium chlorate candles

    NASA Technical Reports Server (NTRS)

    Malich, C. W.; Wydeven, T.

    1972-01-01

    The catalytic effect of cobalt powder on chlorate decomposition has been confirmed. Catalysis is enhanced by oxidation of the metal during burning. Catalysts other than cobalt compounds should also be effective; the complete elimination of fuel has shown that the oxidation of cobalt during decomposition is not a vital factor in the improved performance of catalyzed candles.

  15. Wash Bottle Laboratory Exercises: Iodide-Catalyzed H[subscript 2]O[subscript 2] Decomposition Reaction Kinetics Using the Initial Rate Approach

    ERIC Educational Resources Information Center

    Barlag, Rebecca; Nyasulu, Frazier

    2010-01-01

    A wash bottle water displacement scheme is used to determine the kinetics of the iodide-catalyzed H[subscript 2]O[subscript 2] decomposition reaction. The reagents (total volume 5.00 mL) are added to a test tube that is placed in a wash bottle containing water. The mass of the water displaced in [approximately]60 s is measured. The reaction is…

  16. Nitrosonium-Catalyzed Decomposition of S-Nitrosothiols in Solution

    PubMed Central

    Zhao, Yi-Lei; McCarren, Patrick R.; Houk, K. N.; Choi, Bo Yoon; Toone, Eric J.

    2008-01-01

    The decomposition of S-nitrosothiols (RSNO) in solution under oxidative conditions is significantly faster than can be accounted for by homolysis of the S-N bond. Here we propose a cationic chain mechanism in which nitrosylation of nitrosothiol produces a nitrosylated cation that, in turn, reacts with a second nitrosothiol to produce disulfide and the NO dimer. Nitrosylated dimer acts as a source of nitrosonium for nitrosothiol nitrosylation, completing the catalytic cycle. The mechanism accounts for several unexplained facets of nitrosothiol chemistry in solution, including the observation that the decomposition of an RSNO is accelerated by O2, mixtures of O2 and NO, and other oxidants, that decomposition is inhibited by thiols and other antioxidants, that decomposition is dependent on sulfur substitution, and that decomposition often shows non-integral kinetic orders. PMID:16076198

  17. Palladium-atom catalyzed formic acid decomposition and the switch of reaction mechanism with temperature.

    PubMed

    He, Nan; Li, Zhen Hua

    2016-04-21

    Formic acid decomposition (FAD) reaction has been an innovative way for hydrogen energy. Noble metal catalysts, especially palladium-containing nanoparticles, supported or unsupported, perform well in this reaction. Herein, we considered the simplest model, wherein one Pd atom is used as the FAD catalyst. With high-level theoretical calculations of CCSD(T)/CBS quality, we investigated all possible FAD pathways. The results show that FAD catalyzed by one Pd atom follows a different mechanism compared with that catalyzed by surfaces or larger clusters. At the initial stage of the reaction, FAD follows a dehydration route and is quickly poisoned by CO due to the formation of very stable PdCO. PdCO then becomes the actual catalyst for FAD at temperatures approximately below 1050 K. Beyond 1050 K, there is a switch of catalyst from PdCO to Pd atom. The results also show that dehydration is always favoured over dehydrogenation on either the Pd-atom or PdCO catalyst. On the Pd-atom catalyst, neither dehydrogenation nor dehydration follows the formate mechanism. In contrast, on the PdCO catalyst, dehydrogenation follows the formate mechanism, whereas dehydration does not. We also systematically investigated the performance of 24 density functional theory methods. We found that the performance of the double hybrid mPW2PLYP functional is the best, followed by the B3LYP, B3PW91, N12SX, M11, and B2PLYP functionals.

  18. Dictionary-Based Tensor Canonical Polyadic Decomposition

    NASA Astrophysics Data System (ADS)

    Cohen, Jeremy Emile; Gillis, Nicolas

    2018-04-01

    To ensure interpretability of extracted sources in tensor decomposition, we introduce in this paper a dictionary-based tensor canonical polyadic decomposition which enforces one factor to belong exactly to a known dictionary. A new formulation of sparse coding is proposed which enables high dimensional tensors dictionary-based canonical polyadic decomposition. The benefits of using a dictionary in tensor decomposition models are explored both in terms of parameter identifiability and estimation accuracy. Performances of the proposed algorithms are evaluated on the decomposition of simulated data and the unmixing of hyperspectral images.

  19. Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics.

    PubMed

    Wahman, David G; Speitel, Gerald E; Katz, Lynn E

    2017-11-21

    Chloramine chemistry is complex, with a variety of reactions occurring in series and parallel and many that are acid or base catalyzed, resulting in numerous rate constants. Bromide presence increases system complexity even further with possible bromamine and bromochloramine formation. Therefore, techniques for parameter estimation must address this complexity through thoughtful experimental design and robust data analysis approaches. The current research outlines a rational basis for constrained data fitting using Brønsted theory, application of the microscopic reversibility principle to reversible acid or base catalyzed reactions, and characterization of the relative significance of parallel reactions using fictive product tracking. This holistic approach was used on a comprehensive and well-documented data set for bromamine decomposition, allowing new interpretations of existing data by revealing that a previously published reaction scheme was not robust; it was not able to describe monobromamine or dibromamine decay outside of the conditions for which it was calibrated. The current research's simplified model (3 reactions, 17 constants) represented the experimental data better than the previously published model (4 reactions, 28 constants). A final model evaluation was conducted based on representative drinking water conditions to determine a minimal model (3 reactions, 8 constants) applicable for drinking water conditions.

  20. Adaptive Fourier decomposition based ECG denoising.

    PubMed

    Wang, Ze; Wan, Feng; Wong, Chi Man; Zhang, Liming

    2016-10-01

    A novel ECG denoising method is proposed based on the adaptive Fourier decomposition (AFD). The AFD decomposes a signal according to its energy distribution, thereby making this algorithm suitable for separating pure ECG signal and noise with overlapping frequency ranges but different energy distributions. A stop criterion for the iterative decomposition process in the AFD is calculated on the basis of the estimated signal-to-noise ratio (SNR) of the noisy signal. The proposed AFD-based method is validated by the synthetic ECG signal using an ECG model and also real ECG signals from the MIT-BIH Arrhythmia Database both with additive Gaussian white noise. Simulation results of the proposed method show better performance on the denoising and the QRS detection in comparing with major ECG denoising schemes based on the wavelet transform, the Stockwell transform, the empirical mode decomposition, and the ensemble empirical mode decomposition. Copyright © 2016 Elsevier Ltd. All rights reserved.

  1. Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine.

    PubMed

    Mavri, Janez; Matute, Ricardo A; Chu, Zhen T; Vianello, Robert

    2016-04-14

    Brain monoamines regulate many centrally mediated body functions, and can cause adverse symptoms when they are out of balance. A starting point to address challenges raised by the increasing burden of brain diseases is to understand, at atomistic level, the catalytic mechanism of an essential amine metabolic enzyme-monoamine oxidase B (MAO B). Recently, we demonstrated that the rate-limiting step of MAO B catalyzed conversion of amines into imines represents the hydride anion transfer from the substrate α-CH2 group to the N5 atom of the flavin cofactor moiety. In this article we simulated for MAO B catalyzed dopamine decomposition the effects of nuclear tunneling by the calculation of the H/D kinetic isotope effect. We applied path integral quantization of the nuclear motion for the methylene group and the N5 atom of the flavin moiety in conjunction with the QM/MM treatment on the empirical valence bond (EVB) level for the rest of the enzyme. The calculated H/D kinetic isotope effect of 12.8 ± 0.3 is in a reasonable agreement with the available experimental data for closely related biogenic amines, which gives strong support for the proposed hydride mechanism. The results are discussed in the context of tunneling in enzyme centers and advent of deuterated drugs into clinical practice.

  2. Microorganisms detected by enzyme-catalyzed reaction

    NASA Technical Reports Server (NTRS)

    Vango, S. P.; Weetall, H. H.; Weliky, N.

    1966-01-01

    Enzymes detect the presence of microorganisms in soils. The enzyme lysozymi is used to release the enzyme catalase from the microorganisms in a soil sample. The catalase catalyzes the decomposition of added hydrogen peroxide to produce oxygen which is detected manometrically. The partial pressure of the oxygen serves as an index of the samples bacteria content.

  3. Catalytic effects of inorganic acids on the decomposition of ammonium nitrate.

    PubMed

    Sun, Jinhua; Sun, Zhanhui; Wang, Qingsong; Ding, Hui; Wang, Tong; Jiang, Chuansheng

    2005-12-09

    In order to evaluate the catalytic effects of inorganic acids on the decomposition of ammonium nitrate (AN), the heat releases of decomposition or reaction of pure AN and its mixtures with inorganic acids were analyzed by a heat flux calorimeter C80. Through the experiments, the different reaction mechanisms of AN and its mixtures were analyzed. The chemical reaction kinetic parameters such as reaction order, activation energy and frequency factor were calculated with the C80 experimental results for different samples. Based on these parameters and the thermal runaway models (Semenov and Frank-Kamenestkii model), the self-accelerating decomposition temperatures (SADTs) of AN and its mixtures were calculated and compared. The results show that the mixtures of AN with acid are more unsteady than pure AN. The AN decomposition reaction is catalyzed by acid. The calculated SADTs of AN mixtures with acid are much lower than that of pure AN.

  4. Model-based multiple patterning layout decomposition

    NASA Astrophysics Data System (ADS)

    Guo, Daifeng; Tian, Haitong; Du, Yuelin; Wong, Martin D. F.

    2015-10-01

    As one of the most promising next generation lithography technologies, multiple patterning lithography (MPL) plays an important role in the attempts to keep in pace with 10 nm technology node and beyond. With feature size keeps shrinking, it has become impossible to print dense layouts within one single exposure. As a result, MPL such as double patterning lithography (DPL) and triple patterning lithography (TPL) has been widely adopted. There is a large volume of literature on DPL/TPL layout decomposition, and the current approach is to formulate the problem as a classical graph-coloring problem: Layout features (polygons) are represented by vertices in a graph G and there is an edge between two vertices if and only if the distance between the two corresponding features are less than a minimum distance threshold value dmin. The problem is to color the vertices of G using k colors (k = 2 for DPL, k = 3 for TPL) such that no two vertices connected by an edge are given the same color. This is a rule-based approach, which impose a geometric distance as a minimum constraint to simply decompose polygons within the distance into different masks. It is not desired in practice because this criteria cannot completely capture the behavior of the optics. For example, it lacks of sufficient information such as the optical source characteristics and the effects between the polygons outside the minimum distance. To remedy the deficiency, a model-based layout decomposition approach to make the decomposition criteria base on simulation results was first introduced at SPIE 2013.1 However, the algorithm1 is based on simplified assumption on the optical simulation model and therefore its usage on real layouts is limited. Recently AMSL2 also proposed a model-based approach to layout decomposition by iteratively simulating the layout, which requires excessive computational resource and may lead to sub-optimal solutions. The approach2 also potentially generates too many stiches. In this

  5. Steganography based on pixel intensity value decomposition

    NASA Astrophysics Data System (ADS)

    Abdulla, Alan Anwar; Sellahewa, Harin; Jassim, Sabah A.

    2014-05-01

    This paper focuses on steganography based on pixel intensity value decomposition. A number of existing schemes such as binary, Fibonacci, Prime, Natural, Lucas, and Catalan-Fibonacci (CF) are evaluated in terms of payload capacity and stego quality. A new technique based on a specific representation is proposed to decompose pixel intensity values into 16 (virtual) bit-planes suitable for embedding purposes. The proposed decomposition has a desirable property whereby the sum of all bit-planes does not exceed the maximum pixel intensity value, i.e. 255. Experimental results demonstrate that the proposed technique offers an effective compromise between payload capacity and stego quality of existing embedding techniques based on pixel intensity value decomposition. Its capacity is equal to that of binary and Lucas, while it offers a higher capacity than Fibonacci, Prime, Natural, and CF when the secret bits are embedded in 1st Least Significant Bit (LSB). When the secret bits are embedded in higher bit-planes, i.e., 2nd LSB to 8th Most Significant Bit (MSB), the proposed scheme has more capacity than Natural numbers based embedding. However, from the 6th bit-plane onwards, the proposed scheme offers better stego quality. In general, the proposed decomposition scheme has less effect in terms of quality on pixel value when compared to most existing pixel intensity value decomposition techniques when embedding messages in higher bit-planes.

  6. Kinetic Studies on Enzyme-Catalyzed Reactions: Oxidation of Glucose, Decomposition of Hydrogen Peroxide and Their Combination

    PubMed Central

    Tao, Zhimin; Raffel, Ryan A.; Souid, Abdul-Kader; Goodisman, Jerry

    2009-01-01

    The kinetics of the glucose oxidase-catalyzed reaction of glucose with O2, which produces gluconic acid and hydrogen peroxide, and the catalase-assisted breakdown of hydrogen peroxide to generate oxygen, have been measured via the rate of O2 depletion or production. The O2 concentrations in air-saturated phosphate-buffered salt solutions were monitored by measuring the decay of phosphorescence from a Pd phosphor in solution; the decay rate was obtained by fitting the tail of the phosphorescence intensity profile to an exponential. For glucose oxidation in the presence of glucose oxidase, the rate constant determined for the rate-limiting step was k = (3.0 ± 0.7) ×104 M−1s−1 at 37°C. For catalase-catalyzed H2O2 breakdown, the reaction order in [H2O2] was somewhat greater than unity at 37°C and well above unity at 25°C, suggesting different temperature dependences of the rate constants for various steps in the reaction. The two reactions were combined in a single experiment: addition of glucose oxidase to glucose-rich cell-free media caused a rapid drop in [O2], and subsequent addition of catalase caused [O2] to rise and then decrease to zero. The best fit of [O2] to a kinetic model is obtained with the rate constants for glucose oxidation and peroxide decomposition equal to 0.116 s−1 and 0.090 s−1 respectively. Cellular respiration in the presence of glucose was found to be three times as rapid as that in glucose-deprived cells. Added NaCN inhibited O2 consumption completely, confirming that oxidation occurred in the cellular mitochondrial respiratory chain. PMID:19348778

  7. Nitrosonium-catalyzed decomposition of s-nitrosothiols in solution: a theoretical and experimental study.

    PubMed

    Zhao, Yi-Lei; McCarren, Patrick R; Houk, K N; Choi, Bo Yoon; Toone, Eric J

    2005-08-10

    The decomposition of S-nitrosothiols (RSNO) in solution under oxidative conditions is significantly faster than can be accounted for by homolysis of the S-N bond. Here we propose a cationic chain mechanism in which nitrosation of nitrosothiol produces a nitrosated cation that, in turn, reacts with a second nitrosothiol to produce nitrosated disulfide and the NO dimer. The nitrosated disulfide acts as a source of nitrosonium for nitrosothiol nitrosation, completing the catalytic cycle. The mechanism accounts for several unexplained facets of nitrosothiol chemistry in solution, including the observation that the decomposition of an RSNO is accelerated by O(2), mixtures of O(2) and NO, and other oxidants, that decomposition is inhibited by thiols and other antioxidants, that decomposition is dependent on sulfur substitution, and that decomposition often shows nonintegral kinetic orders.

  8. Kinetics of non-catalyzed hydrolysis of tannin in high temperature liquid water*

    PubMed Central

    Lu, Li-li; Lu, Xiu-yang; Ma, Nan

    2008-01-01

    High temperature liquid water (HTLW) has drawn increasing attention as an environmentally benign medium for organic chemical reactions, especially acid-/base-catalyzed reactions. Non-catalyzed hydrolyses of gallotannin and tara tannin in HTLW for the simultaneous preparation of gallic acid (GA) and pyrogallol (PY) are under investigation in our laboratory. In this study, the hydrolysis kinetics of gallotannin and tara tannin were determined. The reaction is indicated to be a typical consecutive first-order one in which GA has formed as a main intermediate and PY as the final product. Selective decomposition of tannin in HTLW was proved to be possible by adjusting reaction temperature and time. The present results provide an important basic data and reference for the green preparation of GA and PY. PMID:18500780

  9. Distributed Prognostics based on Structural Model Decomposition

    NASA Technical Reports Server (NTRS)

    Daigle, Matthew J.; Bregon, Anibal; Roychoudhury, I.

    2014-01-01

    Within systems health management, prognostics focuses on predicting the remaining useful life of a system. In the model-based prognostics paradigm, physics-based models are constructed that describe the operation of a system and how it fails. Such approaches consist of an estimation phase, in which the health state of the system is first identified, and a prediction phase, in which the health state is projected forward in time to determine the end of life. Centralized solutions to these problems are often computationally expensive, do not scale well as the size of the system grows, and introduce a single point of failure. In this paper, we propose a novel distributed model-based prognostics scheme that formally describes how to decompose both the estimation and prediction problems into independent local subproblems whose solutions may be easily composed into a global solution. The decomposition of the prognostics problem is achieved through structural decomposition of the underlying models. The decomposition algorithm creates from the global system model a set of local submodels suitable for prognostics. Independent local estimation and prediction problems are formed based on these local submodels, resulting in a scalable distributed prognostics approach that allows the local subproblems to be solved in parallel, thus offering increases in computational efficiency. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments to demonstrate the distributed approach, compare the performance with a centralized approach, and establish its scalability. Index Terms-model-based prognostics, distributed prognostics, structural model decomposition ABBREVIATIONS

  10. Development of a Lewis Base Catalyzed Selenocyclization Reaction

    ERIC Educational Resources Information Center

    Collins, William

    2009-01-01

    The concept of Lewis base activation of selenium Lewis acids has been effectively reduced to practice in the Lewis base catalyzed selenofunctionalization of unactivated olefins. In this reaction, the weakly acidic species, "N"-phenylselenyl succinimide, is cooperatively activated by the addition of a "soft" Lewis base donor (phosphine sulfides,…

  11. Demonstration of the Catalytic Decomposition of Hydrogen Peroxide.

    ERIC Educational Resources Information Center

    Conklin, Alfred R. Jr.; Kessinger, Angela

    1996-01-01

    Describes a demonstration known as Elephant's Toothpaste in which the decomposition of hydrogen peroxide is catalyzed by iodide. Oxygen is released and soap bubbles are produced. The foam produced is measured, and results show a good relationship between the amount of foam and the concentration of the hydrogen peroxide. (DDR)

  12. Synthesis of graphene by cobalt-catalyzed decomposition of methane in plasma-enhanced CVD: Optimization of experimental parameters with Taguchi method

    NASA Astrophysics Data System (ADS)

    Mehedi, H.-A.; Baudrillart, B.; Alloyeau, D.; Mouhoub, O.; Ricolleau, C.; Pham, V. D.; Chacon, C.; Gicquel, A.; Lagoute, J.; Farhat, S.

    2016-08-01

    This article describes the significant roles of process parameters in the deposition of graphene films via cobalt-catalyzed decomposition of methane diluted in hydrogen using plasma-enhanced chemical vapor deposition (PECVD). The influence of growth temperature (700-850 °C), molar concentration of methane (2%-20%), growth time (30-90 s), and microwave power (300-400 W) on graphene thickness and defect density is investigated using Taguchi method which enables reaching the optimal parameter settings by performing reduced number of experiments. Growth temperature is found to be the most influential parameter in minimizing the number of graphene layers, whereas microwave power has the second largest effect on crystalline quality and minor role on thickness of graphene films. The structural properties of PECVD graphene obtained with optimized synthesis conditions are investigated with Raman spectroscopy and corroborated with atomic-scale characterization performed by high-resolution transmission electron microscopy and scanning tunneling microscopy, which reveals formation of continuous film consisting of 2-7 high quality graphene layers.

  13. Growth and Detachment of Oxygen Bubbles Induced by Gold-Catalyzed Decomposition of Hydrogen Peroxide

    PubMed Central

    2017-01-01

    Whereas bubble growth out of gas-oversatured solutions has been quite well understood, including the formation and stability of surface nanobubbles, this is not the case for bubbles forming on catalytic surfaces due to catalytic reactions, though it has important implications for gas evolution reactions and self-propulsion of micro/nanomotors fueled by bubble release. In this work we have filled this gap by experimentally and theoretically examining the growth and detachment dynamics of oxygen bubbles from hydrogen peroxide decomposition catalyzed by gold. We measured the bubble radius R(t) as a function of time by confocal microscopy and find R(t) ∝ t1/2. This diffusive growth behavior demonstrates that the bubbles grow from an oxygen-oversaturated environment. For several consecutive bubbles detaching from the same position in a short period of time, a well-repeated growing behavior is obtained from which we conclude the absence of noticeable depletion effect of oxygen from previous bubbles or increasing oversaturation from the gas production. In contrast, for two bubbles far apart either in space or in time, substantial discrepancies in their growth rates are observed, which we attribute to the variation in the local gas oversaturation. The current results show that the dynamical evolution of bubbles is influenced by comprehensive effects combining chemical catalysis and physical mass transfer. Finally, we find that the size of the bubbles at the moment of detachment is determined by the balance between buoyancy and surface tension and by the detailed geometry at the bubble’s contact line. PMID:28983387

  14. Growth and Detachment of Oxygen Bubbles Induced by Gold-Catalyzed Decomposition of Hydrogen Peroxide.

    PubMed

    Lv, Pengyu; Le The, Hai; Eijkel, Jan; Van den Berg, Albert; Zhang, Xuehua; Lohse, Detlef

    2017-09-28

    Whereas bubble growth out of gas-oversatured solutions has been quite well understood, including the formation and stability of surface nanobubbles, this is not the case for bubbles forming on catalytic surfaces due to catalytic reactions , though it has important implications for gas evolution reactions and self-propulsion of micro/nanomotors fueled by bubble release. In this work we have filled this gap by experimentally and theoretically examining the growth and detachment dynamics of oxygen bubbles from hydrogen peroxide decomposition catalyzed by gold. We measured the bubble radius R ( t ) as a function of time by confocal microscopy and find R ( t ) ∝ t 1/2 . This diffusive growth behavior demonstrates that the bubbles grow from an oxygen-oversaturated environment. For several consecutive bubbles detaching from the same position in a short period of time, a well-repeated growing behavior is obtained from which we conclude the absence of noticeable depletion effect of oxygen from previous bubbles or increasing oversaturation from the gas production. In contrast, for two bubbles far apart either in space or in time, substantial discrepancies in their growth rates are observed, which we attribute to the variation in the local gas oversaturation. The current results show that the dynamical evolution of bubbles is influenced by comprehensive effects combining chemical catalysis and physical mass transfer. Finally, we find that the size of the bubbles at the moment of detachment is determined by the balance between buoyancy and surface tension and by the detailed geometry at the bubble's contact line.

  15. Highly efficient and stable catalyst for peroxynitrite decomposition

    Treesearch

    Yurii V. Geletii; Alan J. Bailey; Jennifer J. Cowan; Ira A. Weinstock; Craig L. Hill

    2001-01-01

    The new cobalt substituted-polyoxometalate K7[CoAlW11O39]•15H2O and the simple CoCl2•6H2O salt are efficient catalysts for peroxynitrite decomposition. These compounds also catalyze the oxidation of ascorbic acid and the nitration of phenol by peroxynitrite.

  16. Hydrogen peroxide catalytic decomposition

    NASA Technical Reports Server (NTRS)

    Parrish, Clyde F. (Inventor)

    2010-01-01

    Nitric oxide in a gaseous stream is converted to nitrogen dioxide using oxidizing species generated through the use of concentrated hydrogen peroxide fed as a monopropellant into a catalyzed thruster assembly. The hydrogen peroxide is preferably stored at stable concentration levels, i.e., approximately 50%-70% by volume, and may be increased in concentration in a continuous process preceding decomposition in the thruster assembly. The exhaust of the thruster assembly, rich in hydroxyl and/or hydroperoxy radicals, may be fed into a stream containing oxidizable components, such as nitric oxide, to facilitate their oxidation.

  17. The influence of cyclomaltooligosaccharides (cyclodextrins) on the enzymatic decomposition of l-phenylalanine catalyzed by phenylalanine ammonia-lyase.

    PubMed

    Gubica, Tomasz; Pełka, Agnieszka; Pałka, Katarzyna; Temeriusz, Andrzej; Kańska, Marianna

    2011-09-27

    Cyclomaltohexaose (α-cyclodextrin) and cyclomaltoheptaose (β-cyclodextrin) as well as their four methyl ether derivatives, that is, hexakis(2,3-di-O-methyl)cyclomaltohexaose, hexakis(2,3,6-tri-O-methyl)cyclomaltohexaose, heptakis(2,3-di-O-methyl)cyclomaltoheptaose, and heptakis(2,3,6-tri-O-methyl)cyclomaltoheptaose were investigated as the additives in the course of enzymatic decomposition of l-phenylalanine catalyzed by phenylalanine ammonia-lyase. Only a few of those additives behaved like classical inhibitors of the enzymatic reaction under investigation because the values of the Michaelis constants that were obtained, as well as the maximum velocity values depended mostly atypically on the concentrations of those additives. In most cases cyclodextrins caused mixed inhibition, both competitive and noncompetitive, but they also acted as activators for selected concentrations. This atypical behaviour of cyclodextrins is caused by three different and independent effects. The inhibitory effect of cyclodextrins is connected with the decrease of substrate concentration and unfavourable influence on the flexibility of the enzyme molecules. On the other hand, the activating effect is connected with the decrease of product concentration (the product is an inhibitor of the enzymatic reaction under investigation). All these effects are caused by the ability of the cyclodextrins to form inclusion complexes. Copyright © 2011 Elsevier Ltd. All rights reserved.

  18. Energy Diagram for the Catalytic Decomposition of Hydrogen Peroxide

    ERIC Educational Resources Information Center

    Tatsuoka, Tomoyuki; Koga, Nobuyoshi

    2013-01-01

    Drawing a schematic energy diagram for the decomposition of H[subscript 2]O[subscript 2] catalyzed by MnO[subscript 2] through a simple thermometric measurement outlined in this study is intended to integrate students' understanding of thermochemistry and kinetics of chemical reactions. The reaction enthalpy, delta[subscript r]H, is…

  19. Rank-based decompositions of morphological templates.

    PubMed

    Sussner, P; Ritter, G X

    2000-01-01

    Methods for matrix decomposition have found numerous applications in image processing, in particular for the problem of template decomposition. Since existing matrix decomposition techniques are mainly concerned with the linear domain, we consider it timely to investigate matrix decomposition techniques in the nonlinear domain with applications in image processing. The mathematical basis for these investigations is the new theory of rank within minimax algebra. Thus far, only minimax decompositions of rank 1 and rank 2 matrices into outer product expansions are known to the image processing community. We derive a heuristic algorithm for the decomposition of matrices having arbitrary rank.

  20. Synthesis of graphene by cobalt-catalyzed decomposition of methane in plasma-enhanced CVD: Optimization of experimental parameters with Taguchi method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mehedi, H.-A.; Baudrillart, B.; Gicquel, A.

    2016-08-14

    This article describes the significant roles of process parameters in the deposition of graphene films via cobalt-catalyzed decomposition of methane diluted in hydrogen using plasma-enhanced chemical vapor deposition (PECVD). The influence of growth temperature (700–850 °C), molar concentration of methane (2%–20%), growth time (30–90 s), and microwave power (300–400 W) on graphene thickness and defect density is investigated using Taguchi method which enables reaching the optimal parameter settings by performing reduced number of experiments. Growth temperature is found to be the most influential parameter in minimizing the number of graphene layers, whereas microwave power has the second largest effect on crystalline qualitymore » and minor role on thickness of graphene films. The structural properties of PECVD graphene obtained with optimized synthesis conditions are investigated with Raman spectroscopy and corroborated with atomic-scale characterization performed by high-resolution transmission electron microscopy and scanning tunneling microscopy, which reveals formation of continuous film consisting of 2–7 high quality graphene layers.« less

  1. Surface-Accelerated Decomposition of δ-HMX.

    PubMed

    Sharia, Onise; Tsyshevsky, Roman; Kuklja, Maija M

    2013-03-07

    Despite extensive efforts to study the explosive decomposition of HMX, a cyclic nitramine widely used as a solid fuel, explosive, and propellant, an understanding of the physicochemical processes, governing the sensitivity of condensed HMX to detonation initiation is not yet achieved. Experimental and theoretical explorations of the initiation of chemistry are equally challenging because of many complex parallel processes, including the β-δ phase transition and the decomposition from both phases. Among four known polymorphs, HMX is produced in the most stable β-phase, which transforms into the most reactive δ-phase under heat or pressure. In this study, the homolytic NO2 loss and HONO elimination precursor reactions of the gas-phase, ideal crystal, and the (100) surface of δ-HMX are explored by first principles modeling. Our calculations revealed that the high sensitivity of δ-HMX is attributed to interactions of surfaces and molecular dipole moments. While both decomposition reactions coexist, the exothermic HONO-isomer formation catalyzes the N-NO2 homolysis, leading to fast violent explosions.

  2. Empirical projection-based basis-component decomposition method

    NASA Astrophysics Data System (ADS)

    Brendel, Bernhard; Roessl, Ewald; Schlomka, Jens-Peter; Proksa, Roland

    2009-02-01

    Advances in the development of semiconductor based, photon-counting x-ray detectors stimulate research in the domain of energy-resolving pre-clinical and clinical computed tomography (CT). For counting detectors acquiring x-ray attenuation in at least three different energy windows, an extended basis component decomposition can be performed in which in addition to the conventional approach of Alvarez and Macovski a third basis component is introduced, e.g., a gadolinium based CT contrast material. After the decomposition of the measured projection data into the basis component projections, conventional filtered-backprojection reconstruction is performed to obtain the basis-component images. In recent work, this basis component decomposition was obtained by maximizing the likelihood-function of the measurements. This procedure is time consuming and often unstable for excessively noisy data or low intrinsic energy resolution of the detector. Therefore, alternative procedures are of interest. Here, we introduce a generalization of the idea of empirical dual-energy processing published by Stenner et al. to multi-energy, photon-counting CT raw data. Instead of working in the image-domain, we use prior spectral knowledge about the acquisition system (tube spectra, bin sensitivities) to parameterize the line-integrals of the basis component decomposition directly in the projection domain. We compare this empirical approach with the maximum-likelihood (ML) approach considering image noise and image bias (artifacts) and see that only moderate noise increase is to be expected for small bias in the empirical approach. Given the drastic reduction of pre-processing time, the empirical approach is considered a viable alternative to the ML approach.

  3. Reversibility of Noble Metal-Catalyzed Aprotic Li-O₂ Batteries.

    PubMed

    Ma, Shunchao; Wu, Yang; Wang, Jiawei; Zhang, Yelong; Zhang, Yantao; Yan, Xinxiu; Wei, Yang; Liu, Peng; Wang, Jiaping; Jiang, Kaili; Fan, Shoushan; Xu, Ye; Peng, Zhangquan

    2015-12-09

    The aprotic Li-O2 battery has attracted a great deal of interest because, theoretically, it can store far more energy than today's batteries. Toward unlocking the energy capabilities of this neotype energy storage system, noble metal-catalyzed high surface area carbon materials have been widely used as the O2 cathodes, and some of them exhibit excellent electrochemical performances in terms of round-trip efficiency and cycle life. However, whether these outstanding electrochemical performances are backed by the reversible formation/decomposition of Li2O2, i.e., the desired Li-O2 electrochemistry, remains unclear due to a lack of quantitative assays for the Li-O2 cells. Here, noble metal (Ru and Pd)-catalyzed carbon nanotube (CNT) fabrics, prepared by magnetron sputtering, have been used as the O2 cathode in aprotic Li-O2 batteries. The catalyzed Li-O2 cells exhibited considerably high round-trip efficiency and prolonged cycle life, which could match or even surpass some of the best literature results. However, a combined analysis using differential electrochemical mass spectrometry and Fourier transform infrared spectroscopy, revealed that these catalyzed Li-O2 cells (particularly those based on Pd-CNT cathodes) did not work according to the desired Li-O2 electrochemistry. Instead the presence of noble metal catalysts impaired the cells' reversibility, as evidenced by the decreased O2 recovery efficiency (the ratio of the amount of O2 evolved during recharge/that consumed in the preceding discharge) coupled with increased CO2 evolution during charging. The results reported here provide new insights into the O2 electrochemistry in the aprotic Li-O2 batteries containing noble metal catalysts and exemplified the importance of the quantitative assays for the Li-O2 reactions in the course of pursuing truly rechargeable Li-O2 batteries.

  4. Rhodium enalcarbenoids: direct synthesis of indoles by rhodium(II)-catalyzed [4+2] benzannulation of pyrroles.

    PubMed

    Dawande, Sudam Ganpat; Kanchupalli, Vinaykumar; Kalepu, Jagadeesh; Chennamsetti, Haribabu; Lad, Bapurao Sudam; Katukojvala, Sreenivas

    2014-04-14

    Disclosed herein is the design of an unprecedented electrophilic rhodium enalcarbenoid which results from rhodium(II)-catalyzed decomposition of a new class of enaldiazo compounds. The synthetic utility of these enalcarbenoids has been successfully demonstrated in the first transition-metal-catalyzed [4+2] benzannulation of pyrroles, thus leading to substituted indoles. The new benzannulation has been applied to the efficient synthesis of the natural product leiocarpone as well as a potent adipocyte fatty-acid binding protein inhibitor. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Structural system identification based on variational mode decomposition

    NASA Astrophysics Data System (ADS)

    Bagheri, Abdollah; Ozbulut, Osman E.; Harris, Devin K.

    2018-03-01

    In this paper, a new structural identification method is proposed to identify the modal properties of engineering structures based on dynamic response decomposition using the variational mode decomposition (VMD). The VMD approach is a decomposition algorithm that has been developed as a means to overcome some of the drawbacks and limitations of the empirical mode decomposition method. The VMD-based modal identification algorithm decomposes the acceleration signal into a series of distinct modal responses and their respective center frequencies, such that when combined their cumulative modal responses reproduce the original acceleration response. The decaying amplitude of the extracted modal responses is then used to identify the modal damping ratios using a linear fitting function on modal response data. Finally, after extracting modal responses from available sensors, the mode shape vector for each of the decomposed modes in the system is identified from all obtained modal response data. To demonstrate the efficiency of the algorithm, a series of numerical, laboratory, and field case studies were evaluated. The laboratory case study utilized the vibration response of a three-story shear frame, whereas the field study leveraged the ambient vibration response of a pedestrian bridge to characterize the modal properties of the structure. The modal properties of the shear frame were computed using analytical approach for a comparison with the experimental modal frequencies. Results from these case studies demonstrated that the proposed method is efficient and accurate in identifying modal data of the structures.

  6. Ozone decomposition

    PubMed Central

    Batakliev, Todor; Georgiev, Vladimir; Anachkov, Metody; Rakovsky, Slavcho

    2014-01-01

    Catalytic ozone decomposition is of great significance because ozone is a toxic substance commonly found or generated in human environments (aircraft cabins, offices with photocopiers, laser printers, sterilizers). Considerable work has been done on ozone decomposition reported in the literature. This review provides a comprehensive summary of the literature, concentrating on analysis of the physico-chemical properties, synthesis and catalytic decomposition of ozone. This is supplemented by a review on kinetics and catalyst characterization which ties together the previously reported results. Noble metals and oxides of transition metals have been found to be the most active substances for ozone decomposition. The high price of precious metals stimulated the use of metal oxide catalysts and particularly the catalysts based on manganese oxide. It has been determined that the kinetics of ozone decomposition is of first order importance. A mechanism of the reaction of catalytic ozone decomposition is discussed, based on detailed spectroscopic investigations of the catalytic surface, showing the existence of peroxide and superoxide surface intermediates. PMID:26109880

  7. 3D tensor-based blind multispectral image decomposition for tumor demarcation

    NASA Astrophysics Data System (ADS)

    Kopriva, Ivica; Peršin, Antun

    2010-03-01

    Blind decomposition of multi-spectral fluorescent image for tumor demarcation is formulated exploiting tensorial structure of the image. First contribution of the paper is identification of the matrix of spectral responses and 3D tensor of spatial distributions of the materials present in the image from Tucker3 or PARAFAC models of 3D image tensor. Second contribution of the paper is clustering based estimation of the number of the materials present in the image as well as matrix of their spectral profiles. 3D tensor of the spatial distributions of the materials is recovered through 3-mode multiplication of the multi-spectral image tensor and inverse of the matrix of spectral profiles. Tensor representation of the multi-spectral image preserves its local spatial structure that is lost, due to vectorization process, when matrix factorization-based decomposition methods (such as non-negative matrix factorization and independent component analysis) are used. Superior performance of the tensor-based image decomposition over matrix factorization-based decompositions is demonstrated on experimental red-green-blue (RGB) image with known ground truth as well as on RGB fluorescent images of the skin tumor (basal cell carcinoma).

  8. N-Heterocycle-Fused Pentalenes by a Gold-Catalyzed Annulation of Diethynyl-Quinoxalines and -Phenazines.

    PubMed

    Sekine, Kohei; Stuck, Fabian; Schulmeister, Jürgen; Wurm, Thomas; Zetschok, Dominik; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K

    2018-06-19

    The gold-catalyzed annulation of diethynyl N-heterocycles for the synthesis of quinoxaline-/phenazine-based pentalenes, and the study of their optoelectronic properties is described. The inhibition of the gold catalyst by the nitrogen centers in the substrate and the product could be overcome by increasing the reaction temperature to 130 °C, which in gold catalysis usually leads to catalyst decomposition. At 130 °C 6,7-di(arylethynyl)quinoxalines in chlorobenzene at afford the corresponding pentalenes. The annulation of 2,3-di(arylethynyl)quinoxalines requires an even higher temperature under microwave irradiation. The quinoxaline-based pentalenes showed lower LUMO levels compared to the corresponding naphthalene-based pentalenes. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Multi-focus image fusion based on window empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Qin, Xinqiang; Zheng, Jiaoyue; Hu, Gang; Wang, Jiao

    2017-09-01

    In order to improve multi-focus image fusion quality, a novel fusion algorithm based on window empirical mode decomposition (WEMD) is proposed. This WEMD is an improved form of bidimensional empirical mode decomposition (BEMD), due to its decomposition process using the adding window principle, effectively resolving the signal concealment problem. We used WEMD for multi-focus image fusion, and formulated different fusion rules for bidimensional intrinsic mode function (BIMF) components and the residue component. For fusion of the BIMF components, the concept of the Sum-modified-Laplacian was used and a scheme based on the visual feature contrast adopted; when choosing the residue coefficients, a pixel value based on the local visibility was selected. We carried out four groups of multi-focus image fusion experiments and compared objective evaluation criteria with other three fusion methods. The experimental results show that the proposed fusion approach is effective and performs better at fusing multi-focus images than some traditional methods.

  10. Iterative filtering decomposition based on local spectral evolution kernel

    PubMed Central

    Wang, Yang; Wei, Guo-Wei; Yang, Siyang

    2011-01-01

    The synthesizing information, achieving understanding, and deriving insight from increasingly massive, time-varying, noisy and possibly conflicting data sets are some of most challenging tasks in the present information age. Traditional technologies, such as Fourier transform and wavelet multi-resolution analysis, are inadequate to handle all of the above-mentioned tasks. The empirical model decomposition (EMD) has emerged as a new powerful tool for resolving many challenging problems in data processing and analysis. Recently, an iterative filtering decomposition (IFD) has been introduced to address the stability and efficiency problems of the EMD. Another data analysis technique is the local spectral evolution kernel (LSEK), which provides a near prefect low pass filter with desirable time-frequency localizations. The present work utilizes the LSEK to further stabilize the IFD, and offers an efficient, flexible and robust scheme for information extraction, complexity reduction, and signal and image understanding. The performance of the present LSEK based IFD is intensively validated over a wide range of data processing tasks, including mode decomposition, analysis of time-varying data, information extraction from nonlinear dynamic systems, etc. The utility, robustness and usefulness of the proposed LESK based IFD are demonstrated via a large number of applications, such as the analysis of stock market data, the decomposition of ocean wave magnitudes, the understanding of physiologic signals and information recovery from noisy images. The performance of the proposed method is compared with that of existing methods in the literature. Our results indicate that the LSEK based IFD improves both the efficiency and the stability of conventional EMD algorithms. PMID:22350559

  11. Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.

    PubMed

    Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel

    2015-07-07

    The base-catalyzed reaction of achiral 1,3-cyclopentanediones tethered to activated olefins afforded in high yields bicyclo[3.2.1]octane-6,8-dione or bicyclo[3.2.1]octane-6-carboxylate derivatives bearing respectively three or five stereogenic centers. The course of the reaction is closely related to the reaction time and to the base involved in the reaction.

  12. Near-lossless multichannel EEG compression based on matrix and tensor decompositions.

    PubMed

    Dauwels, Justin; Srinivasan, K; Reddy, M Ramasubba; Cichocki, Andrzej

    2013-05-01

    A novel near-lossless compression algorithm for multichannel electroencephalogram (MC-EEG) is proposed based on matrix/tensor decomposition models. MC-EEG is represented in suitable multiway (multidimensional) forms to efficiently exploit temporal and spatial correlations simultaneously. Several matrix/tensor decomposition models are analyzed in view of efficient decorrelation of the multiway forms of MC-EEG. A compression algorithm is built based on the principle of “lossy plus residual coding,” consisting of a matrix/tensor decomposition-based coder in the lossy layer followed by arithmetic coding in the residual layer. This approach guarantees a specifiable maximum absolute error between original and reconstructed signals. The compression algorithm is applied to three different scalp EEG datasets and an intracranial EEG dataset, each with different sampling rate and resolution. The proposed algorithm achieves attractive compression ratios compared to compressing individual channels separately. For similar compression ratios, the proposed algorithm achieves nearly fivefold lower average error compared to a similar wavelet-based volumetric MC-EEG compression algorithm.

  13. A Modified Demonstration of the Catalytic Decomposition of Hydrogen Peroxide

    NASA Astrophysics Data System (ADS)

    Trujillo, Carlos Alexander

    2005-06-01

    A safer and cheaper version of the popular catalyzed decomposition of hydrogen peroxide demonstration commonly called the “Elephants’ Toothpaste” is presented. Hydrogen peroxide is decomposed in the presence of a surfactant by the enzyme catalase producing foam. Catalase has a higher activity compared with the traditional iodide and permits the use of diluted hydrogen peroxide solutions. The demonstration can be made with household products with similar amazing effects.

  14. Nickel-catalyzed asymmetric α-arylation and heteroarylation of ketones with chloroarenes: effect of halide on selectivity, oxidation state, and room-temperature reactions.

    PubMed

    Ge, Shaozhong; Hartwig, John F

    2011-10-19

    We report the α-arylation of ketones with a range of aryl chlorides with enantioselectivities from 90 to 99% ee catalyzed by the combination of Ni(COD)(2) and (R)-BINAP and the coupling of ketones with a range of heteroaryl chlorides with enantioselectivities up to 99% ee catalyzed by Ni(COD)(2) and (R)-DIFLUORPHOS. The analogous reactions of bromoarenes occur with much lower enantioselectivities. Mechanistic studies showed that the difference in the rates of decomposition of the arylnickel(II) halide intermediates to {[(R)-BINAP]NiX}(2) likely accounts for the difference in the enantioselectivities of the reactions of bromoarenes and chloroarenes. This catalyst decomposition can be overcome by conducting the reactions with [(R)-BINAP]Ni(η(2)-NC-Ph) (4), which undergoes oxidative addition to haloarenes at room temperature.

  15. Development of melamine modified urea formaldehyde resins based o nstrong acidic pH catalyzed urea formaldehyde polymer

    Treesearch

    Chung-Yun Hse

    2009-01-01

    To upgrade the performance of urea-formaldehyde (UF) resin bonded particleboards, melamine modified urea-formaldehyde (MUF) resins based on strong acidic pH catalyzed UF polymers were investigated. The study was conducted in a series of two experiments: 1) formulation of MUF resins based on a UF polymer catalyzed with strong acidic pH and 2) determination of the...

  16. Performance of tensor decomposition-based modal identification under nonstationary vibration

    NASA Astrophysics Data System (ADS)

    Friesen, P.; Sadhu, A.

    2017-03-01

    Health monitoring of civil engineering structures is of paramount importance when they are subjected to natural hazards or extreme climatic events like earthquake, strong wind gusts or man-made excitations. Most of the traditional modal identification methods are reliant on stationarity assumption of the vibration response and posed difficulty while analyzing nonstationary vibration (e.g. earthquake or human-induced vibration). Recently tensor decomposition based methods are emerged as powerful and yet generic blind (i.e. without requiring a knowledge of input characteristics) signal decomposition tool for structural modal identification. In this paper, a tensor decomposition based system identification method is further explored to estimate modal parameters using nonstationary vibration generated due to either earthquake or pedestrian induced excitation in a structure. The effects of lag parameters and sensor densities on tensor decomposition are studied with respect to the extent of nonstationarity of the responses characterized by the stationary duration and peak ground acceleration of the earthquake. A suite of more than 1400 earthquakes is used to investigate the performance of the proposed method under a wide variety of ground motions utilizing both complete and partial measurements of a high-rise building model. Apart from the earthquake, human-induced nonstationary vibration of a real-life pedestrian bridge is also used to verify the accuracy of the proposed method.

  17. Paper microfluidic-based enzyme catalyzed double microreactor.

    PubMed

    Ferrer, Ivonne M; Valadez, Hector; Estala, Lissette; Gomez, Frank A

    2014-08-01

    We describe a paper microfluidic-based enzyme catalyzed double microreactor assay using fluorescent detection. Here, solutions of lactate dehydrogenase (LDH) and diaphorase (DI) were directly spotted onto the microfluidic paper-based analytical device (μPAD). Samples containing lactic acid, resazurin, and nicotinamide adenine dinucleotide oxidized form (NAD(+) ), potassium chloride (KCl), and BSA, in MES buffer were separately spotted onto the μPAD and MES buffer flowed through the device. A cascade reaction occurs upon the sample spot overlapping with LDH to form pyruvate and nicotinamide adenine dinucleotide reduced form (NADH). Subsequently, NADH is used in the conversion of resazurin to fluorescent resorufin by DI. The μPAD avoids the need of surface functionalization or enzyme immobilization steps. These microreactor devices are low cost and easy to fabricate and effect reaction based solely on buffer capillary action. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. An NN-Based SRD Decomposition Algorithm and Its Application in Nonlinear Compensation

    PubMed Central

    Yan, Honghang; Deng, Fang; Sun, Jian; Chen, Jie

    2014-01-01

    In this study, a neural network-based square root of descending (SRD) order decomposition algorithm for compensating for nonlinear data generated by sensors is presented. The study aims at exploring the optimized decomposition of data 1.00,0.00,0.00 and minimizing the computational complexity and memory space of the training process. A linear decomposition algorithm, which automatically finds the optimal decomposition of N subparts and reduces the training time to 1N and memory cost to 1N, has been implemented on nonlinear data obtained from an encoder. Particular focus is given to the theoretical access of estimating the numbers of hidden nodes and the precision of varying the decomposition method. Numerical experiments are designed to evaluate the effect of this algorithm. Moreover, a designed device for angular sensor calibration is presented. We conduct an experiment that samples the data of an encoder and compensates for the nonlinearity of the encoder to testify this novel algorithm. PMID:25232912

  19. An Efficient Local Correlation Matrix Decomposition Approach for the Localization Implementation of Ensemble-Based Assimilation Methods

    NASA Astrophysics Data System (ADS)

    Zhang, Hongqin; Tian, Xiangjun

    2018-04-01

    Ensemble-based data assimilation methods often use the so-called localization scheme to improve the representation of the ensemble background error covariance (Be). Extensive research has been undertaken to reduce the computational cost of these methods by using the localized ensemble samples to localize Be by means of a direct decomposition of the local correlation matrix C. However, the computational costs of the direct decomposition of the local correlation matrix C are still extremely high due to its high dimension. In this paper, we propose an efficient local correlation matrix decomposition approach based on the concept of alternating directions. This approach is intended to avoid direct decomposition of the correlation matrix. Instead, we first decompose the correlation matrix into 1-D correlation matrices in the three coordinate directions, then construct their empirical orthogonal function decomposition at low resolution. This procedure is followed by the 1-D spline interpolation process to transform the above decompositions to the high-resolution grid. Finally, an efficient correlation matrix decomposition is achieved by computing the very similar Kronecker product. We conducted a series of comparison experiments to illustrate the validity and accuracy of the proposed local correlation matrix decomposition approach. The effectiveness of the proposed correlation matrix decomposition approach and its efficient localization implementation of the nonlinear least-squares four-dimensional variational assimilation are further demonstrated by several groups of numerical experiments based on the Advanced Research Weather Research and Forecasting model.

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

    NASA Astrophysics Data System (ADS)

    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.

  1. Degradation of Perfluorooctanoic Acid and Perfluoroctane Sulfonate by Enzyme Catalyzed Oxidative Humification Reactions

    NASA Astrophysics Data System (ADS)

    Huang, Q.

    2016-12-01

    Poly- and perfluoroalkyl substances (PFASs) are alkyl based chemicals having multiple or all hydrogens replaced by fluorine atoms, and thus exhibit high thermal and chemical stability and other unusual characteristics. PFASs have been widely used in a wide variety of industrial and consumer products, and tend to be environmentally persistent. Perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) are two representative PFASs that have drawn particular attention because of their ubiquitous presence in the environment, resistance to degradation and toxicity to animals. This study examined the decomposition of PFOA and PFOS in enzyme catalyzed oxidative humification reactions (ECOHR), a class of reactions that are ubiquitous in the environment involved in natural organic humification. Reaction rates and influential factors were examined, and high-resolution mass spectrometry was used to identify possible products. Fluorides and partially fluorinated compounds were identified as likely products from PFOA and PFOS degradation, which were possibly formed via a combination of free radical decomposition, rearrangements and coupling processes. The findings suggest that PFOA and PFOS may be transformed during humification, and ECOHR can potentially be used for the remediation of these chemicals.

  2. Adaptive Fourier decomposition based R-peak detection for noisy ECG Signals.

    PubMed

    Ze Wang; Chi Man Wong; Feng Wan

    2017-07-01

    An adaptive Fourier decomposition (AFD) based R-peak detection method is proposed for noisy ECG signals. Although lots of QRS detection methods have been proposed in literature, most detection methods require high signal quality. The proposed method extracts the R waves from the energy domain using the AFD and determines the R-peak locations based on the key decomposition parameters, achieving the denoising and the R-peak detection at the same time. Validated by clinical ECG signals in the MIT-BIH Arrhythmia Database, the proposed method shows better performance than the Pan-Tompkin (PT) algorithm in both situations of a native PT and the PT with a denoising process.

  3. Towards a paradigm shift in the modeling of soil organic carbon decomposition for earth system models

    NASA Astrophysics Data System (ADS)

    He, Yujie

    Soils are the largest terrestrial carbon pools and contain approximately 2200 Pg of carbon. Thus, the dynamics of soil carbon plays an important role in the global carbon cycle and climate system. Earth System Models are used to project future interactions between terrestrial ecosystem carbon dynamics and climate. However, these models often predict a wide range of soil carbon responses and their formulations have lagged behind recent soil science advances, omitting key biogeochemical mechanisms. In contrast, recent mechanistically-based biogeochemical models that explicitly account for microbial biomass pools and enzyme kinetics that catalyze soil carbon decomposition produce notably different results and provide a closer match to recent observations. However, a systematic evaluation of the advantages and disadvantages of the microbial models and how they differ from empirical, first-order formulations in soil decomposition models for soil organic carbon is still needed. This dissertation consists of a series of model sensitivity and uncertainty analyses and identifies dominant decomposition processes in determining soil organic carbon dynamics. Poorly constrained processes or parameters that require more experimental data integration are also identified. This dissertation also demonstrates the critical role of microbial life-history traits (e.g. microbial dormancy) in the modeling of microbial activity in soil organic matter decomposition models. Finally, this study surveys and synthesizes a number of recently published microbial models and provides suggestions for future microbial model developments.

  4. A novel ECG data compression method based on adaptive Fourier decomposition

    NASA Astrophysics Data System (ADS)

    Tan, Chunyu; Zhang, Liming

    2017-12-01

    This paper presents a novel electrocardiogram (ECG) compression method based on adaptive Fourier decomposition (AFD). AFD is a newly developed signal decomposition approach, which can decompose a signal with fast convergence, and hence reconstruct ECG signals with high fidelity. Unlike most of the high performance algorithms, our method does not make use of any preprocessing operation before compression. Huffman coding is employed for further compression. Validated with 48 ECG recordings of MIT-BIH arrhythmia database, the proposed method achieves the compression ratio (CR) of 35.53 and the percentage root mean square difference (PRD) of 1.47% on average with N = 8 decomposition times and a robust PRD-CR relationship. The results demonstrate that the proposed method has a good performance compared with the state-of-the-art ECG compressors.

  5. Aligning observed and modelled behaviour based on workflow decomposition

    NASA Astrophysics Data System (ADS)

    Wang, Lu; Du, YuYue; Liu, Wei

    2017-09-01

    When business processes are mostly supported by information systems, the availability of event logs generated from these systems, as well as the requirement of appropriate process models are increasing. Business processes can be discovered, monitored and enhanced by extracting process-related information. However, some events cannot be correctly identified because of the explosion of the amount of event logs. Therefore, a new process mining technique is proposed based on a workflow decomposition method in this paper. Petri nets (PNs) are used to describe business processes, and then conformance checking of event logs and process models is investigated. A decomposition approach is proposed to divide large process models and event logs into several separate parts that can be analysed independently; while an alignment approach based on a state equation method in PN theory enhances the performance of conformance checking. Both approaches are implemented in programmable read-only memory (ProM). The correctness and effectiveness of the proposed methods are illustrated through experiments.

  6. MEG masked priming evidence for form-based decomposition of irregular verbs

    PubMed Central

    Fruchter, Joseph; Stockall, Linnaea; Marantz, Alec

    2013-01-01

    To what extent does morphological structure play a role in early processing of visually presented English past tense verbs? Previous masked priming studies have demonstrated effects of obligatory form-based decomposition for genuinely affixed words (teacher-TEACH) and pseudo-affixed words (corner-CORN), but not for orthographic controls (brothel-BROTH). Additionally, MEG single word reading studies have demonstrated that the transition probability from stem to affix (in genuinely affixed words) modulates an early evoked response known as the M170; parallel findings have been shown for the transition probability from stem to pseudo-affix (in pseudo-affixed words). Here, utilizing the M170 as a neural index of visual form-based morphological decomposition, we ask whether the M170 demonstrates masked morphological priming effects for irregular past tense verbs (following a previous study which obtained behavioral masked priming effects for irregulars). Dual mechanism theories of the English past tense predict a rule-based decomposition for regulars but not for irregulars, while certain single mechanism theories predict rule-based decomposition even for irregulars. MEG data was recorded for 16 subjects performing a visual masked priming lexical decision task. Using a functional region of interest (fROI) defined on the basis of repetition priming and regular morphological priming effects within the left fusiform and inferior temporal regions, we found that activity in this fROI was modulated by the masked priming manipulation for irregular verbs, during the time window of the M170. We also found effects of the scores generated by the learning model of Albright and Hayes (2003) on the degree of priming for irregular verbs. The results favor a single mechanism account of the English past tense, in which even irregulars are decomposed into stems and affixes prior to lexical access, as opposed to a dual mechanism model, in which irregulars are recognized as whole forms

  7. A knowledge-based tool for multilevel decomposition of a complex design problem

    NASA Technical Reports Server (NTRS)

    Rogers, James L.

    1989-01-01

    Although much work has been done in applying artificial intelligence (AI) tools and techniques to problems in different engineering disciplines, only recently has the application of these tools begun to spread to the decomposition of complex design problems. A new tool based on AI techniques has been developed to implement a decomposition scheme suitable for multilevel optimization and display of data in an N x N matrix format.

  8. A comparative study of ozonation, iron coated zeolite catalyzed ozonation and granular activated carbon catalyzed ozonation of humic acid.

    PubMed

    Gümüş, Dilek; Akbal, Feryal

    2017-05-01

    This study compares ozonation (O 3 ), iron coated zeolite catalyzed ozonation (ICZ-O 3 ) and granular activated carbon catalyzed ozonation (GAC-O 3 ) for removal of humic acid from an aqueous solution. The results were evaluated by the removal of DOC that specifies organic matter, UV 254 absorbance, SUVA (Specific Ultraviolet Absorbance at 254 nm) and absorbance at 436 nm. When ozonation was used alone, DOC removal was 21.4% at an ozone concentration of 10 mg/L, pH 6.50 and oxidation time of 60 min. The results showed that the use of ICZ or GAC as a catalyst increased the decomposition of humic acid compared to ozonation alone. DOC removal efficiencies were 62% and 48.1% at pH 6.5, at a catalyst loading of 0.75 g/L, and oxidation time of 60 min for ICZ and GAC, respectively. The oxidation experiments were also carried out using <100 kDa and <50 kDa molecular size fractions of humic acid in the presence of ICZ or GAC. Catalytic ozonation also yielded better DOC and UV 254 reduction in both <50 kDa and <100 kDa fractions of HA compared to ozonation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. Partial differential equation-based approach for empirical mode decomposition: application on image analysis.

    PubMed

    Niang, Oumar; Thioune, Abdoulaye; El Gueirea, Mouhamed Cheikh; Deléchelle, Eric; Lemoine, Jacques

    2012-09-01

    The major problem with the empirical mode decomposition (EMD) algorithm is its lack of a theoretical framework. So, it is difficult to characterize and evaluate this approach. In this paper, we propose, in the 2-D case, the use of an alternative implementation to the algorithmic definition of the so-called "sifting process" used in the original Huang's EMD method. This approach, especially based on partial differential equations (PDEs), was presented by Niang in previous works, in 2005 and 2007, and relies on a nonlinear diffusion-based filtering process to solve the mean envelope estimation problem. In the 1-D case, the efficiency of the PDE-based method, compared to the original EMD algorithmic version, was also illustrated in a recent paper. Recently, several 2-D extensions of the EMD method have been proposed. Despite some effort, 2-D versions for EMD appear poorly performing and are very time consuming. So in this paper, an extension to the 2-D space of the PDE-based approach is extensively described. This approach has been applied in cases of both signal and image decomposition. The obtained results confirm the usefulness of the new PDE-based sifting process for the decomposition of various kinds of data. Some results have been provided in the case of image decomposition. The effectiveness of the approach encourages its use in a number of signal and image applications such as denoising, detrending, or texture analysis.

  10. Capturing molecular multimode relaxation processes in excitable gases based on decomposition of acoustic relaxation spectra

    NASA Astrophysics Data System (ADS)

    Zhu, Ming; Liu, Tingting; Wang, Shu; Zhang, Kesheng

    2017-08-01

    Existing two-frequency reconstructive methods can only capture primary (single) molecular relaxation processes in excitable gases. In this paper, we present a reconstructive method based on the novel decomposition of frequency-dependent acoustic relaxation spectra to capture the entire molecular multimode relaxation process. This decomposition of acoustic relaxation spectra is developed from the frequency-dependent effective specific heat, indicating that a multi-relaxation process is the sum of the interior single-relaxation processes. Based on this decomposition, we can reconstruct the entire multi-relaxation process by capturing the relaxation times and relaxation strengths of N interior single-relaxation processes, using the measurements of acoustic absorption and sound speed at 2N frequencies. Experimental data for the gas mixtures CO2-N2 and CO2-O2 validate our decomposition and reconstruction approach.

  11. Extracting fingerprint of wireless devices based on phase noise and multiple level wavelet decomposition

    NASA Astrophysics Data System (ADS)

    Zhao, Weichen; Sun, Zhuo; Kong, Song

    2016-10-01

    Wireless devices can be identified by the fingerprint extracted from the signal transmitted, which is useful in wireless communication security and other fields. This paper presents a method that extracts fingerprint based on phase noise of signal and multiple level wavelet decomposition. The phase of signal will be extracted first and then decomposed by multiple level wavelet decomposition. The statistic value of each wavelet coefficient vector is utilized for constructing fingerprint. Besides, the relationship between wavelet decomposition level and recognition accuracy is simulated. And advertised decomposition level is revealed as well. Compared with previous methods, our method is simpler and the accuracy of recognition remains high when Signal Noise Ratio (SNR) is low.

  12. Effect of Copper Oxide, Titanium Dioxide, and Lithium Fluoride on the Thermal Behavior and Decomposition Kinetics of Ammonium Nitrate

    NASA Astrophysics Data System (ADS)

    Vargeese, Anuj A.; Mija, S. J.; Muralidharan, Krishnamurthi

    2014-07-01

    Ammonium nitrate (AN) is crystallized along with copper oxide, titanium dioxide, and lithium fluoride. Thermal kinetic constants for the decomposition reaction of the samples were calculated by model-free (Friedman's differential and Vyzovkins nonlinear integral) and model-fitting (Coats-Redfern) methods. To determine the decomposition mechanisms, 12 solid-state mechanisms were tested using the Coats-Redfern method. The results of the Coats-Redfern method show that the decomposition mechanism for all samples is the contracting cylinder mechanism. The phase behavior of the obtained samples was evaluated by differential scanning calorimetry (DSC), and structural properties were determined by X-ray powder diffraction (XRPD). The results indicate that copper oxide modifies the phase transition behavior and can catalyze AN decomposition, whereas LiF inhibits AN decomposition, and TiO2 shows no influence on the rate of decomposition. Possible explanations for these results are discussed. Supplementary materials are available for this article. Go to the publisher's online edition of the Journal of Energetic Materials to view the free supplemental file.

  13. Rotational-path decomposition based recursive planning for spacecraft attitude reorientation

    NASA Astrophysics Data System (ADS)

    Xu, Rui; Wang, Hui; Xu, Wenming; Cui, Pingyuan; Zhu, Shengying

    2018-02-01

    The spacecraft reorientation is a common task in many space missions. With multiple pointing constraints, it is greatly difficult to solve the constrained spacecraft reorientation planning problem. To deal with this problem, an efficient rotational-path decomposition based recursive planning (RDRP) method is proposed in this paper. The uniform pointing-constraint-ignored attitude rotation planning process is designed to solve all rotations without considering pointing constraints. Then the whole path is checked node by node. If any pointing constraint is violated, the nearest critical increment approach will be used to generate feasible alternative nodes in the process of rotational-path decomposition. As the planning path of each subdivision may still violate pointing constraints, multiple decomposition is needed and the reorientation planning is designed as a recursive manner. Simulation results demonstrate the effectiveness of the proposed method. The proposed method has been successfully applied in two SPARK microsatellites to solve onboard constrained attitude reorientation planning problem, which were developed by the Shanghai Engineering Center for Microsatellites and launched on 22 December 2016.

  14. Overlapping Community Detection based on Network Decomposition

    NASA Astrophysics Data System (ADS)

    Ding, Zhuanlian; Zhang, Xingyi; Sun, Dengdi; Luo, Bin

    2016-04-01

    Community detection in complex network has become a vital step to understand the structure and dynamics of networks in various fields. However, traditional node clustering and relatively new proposed link clustering methods have inherent drawbacks to discover overlapping communities. Node clustering is inadequate to capture the pervasive overlaps, while link clustering is often criticized due to the high computational cost and ambiguous definition of communities. So, overlapping community detection is still a formidable challenge. In this work, we propose a new overlapping community detection algorithm based on network decomposition, called NDOCD. Specifically, NDOCD iteratively splits the network by removing all links in derived link communities, which are identified by utilizing node clustering technique. The network decomposition contributes to reducing the computation time and noise link elimination conduces to improving the quality of obtained communities. Besides, we employ node clustering technique rather than link similarity measure to discover link communities, thus NDOCD avoids an ambiguous definition of community and becomes less time-consuming. We test our approach on both synthetic and real-world networks. Results demonstrate the superior performance of our approach both in computation time and accuracy compared to state-of-the-art algorithms.

  15. The General Base in the Thymidylate Synthase Catalyzed Proton Abstraction

    PubMed Central

    Ghosh, Ananda K.; Islam, Zahidul; Krueger, Jonathan; Abeysinghe, Don Thelma; Kohen, Amnon

    2015-01-01

    The enzyme thymidylate synthase (TSase), an important chemotherapeutic drug target, catalyzes the formation of 2′-deoxythymidine-5′-monophosphate (dTMP), a precursor of one of the DNA building blocks. TSase catalyzes a multi-step mechanism that includes the abstraction of a proton from the C5 of the substrate 2′-deoxyuridine-5′-monophosphate (dUMP). Previous studies on ecTSase proposed that an active-site residue, Y94 serves the role of the general base abstracting this proton. However, since Y94 is neither very basic, nor connected to basic residues, nor located close enough to the pyrimidine proton to be abstracted, the actual identity of this base remains enigmatic. Based on crystal structures, an alternative hypothesis is that the nearest potential proton-acceptor of C5 of dUMP is a water molecule that is part of a hydrogen bond (H-bond) network comprised of several water molecules and several protein residues including H147, E58, N177, and Y94. Here, we examine the role of the residue Y94 in the proton abstraction step by removing its hydroxyl group (Y94F mutant). We investigated the effect of the mutation on the temperature dependence of intrinsic kinetic isotope effects (KIEs) and found that these KIEs are more temperature dependent than those of the wild-type enzyme (WT). These results suggest that the phenolic –OH of Y94 is a component of the transition state for the proton abstraction step. The findings further support the hypothesis that no single functional group is the general base, but a network of bases and hydroxyls (from water molecules and tyrosine) sharing H-bonds across the active site can serve the role of the general base to remove the pyrimidine proton. PMID:25912171

  16. Palm vein recognition based on directional empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Lee, Jen-Chun; Chang, Chien-Ping; Chen, Wei-Kuei

    2014-04-01

    Directional empirical mode decomposition (DEMD) has recently been proposed to make empirical mode decomposition suitable for the processing of texture analysis. Using DEMD, samples are decomposed into a series of images, referred to as two-dimensional intrinsic mode functions (2-D IMFs), from finer to large scale. A DEMD-based 2 linear discriminant analysis (LDA) for palm vein recognition is proposed. The proposed method progresses through three steps: (i) a set of 2-D IMF features of various scale and orientation are extracted using DEMD, (ii) the 2LDA method is then applied to reduce the dimensionality of the feature space in both the row and column directions, and (iii) the nearest neighbor classifier is used for classification. We also propose two strategies for using the set of 2-D IMF features: ensemble DEMD vein representation (EDVR) and multichannel DEMD vein representation (MDVR). In experiments using palm vein databases, the proposed MDVR-based 2LDA method achieved recognition accuracy of 99.73%, thereby demonstrating its feasibility for palm vein recognition.

  17. Automatic single-image-based rain streaks removal via image decomposition.

    PubMed

    Kang, Li-Wei; Lin, Chia-Wen; Fu, Yu-Hsiang

    2012-04-01

    Rain removal from a video is a challenging problem and has been recently investigated extensively. Nevertheless, the problem of rain removal from a single image was rarely studied in the literature, where no temporal information among successive images can be exploited, making the problem very challenging. In this paper, we propose a single-image-based rain removal framework via properly formulating rain removal as an image decomposition problem based on morphological component analysis. Instead of directly applying a conventional image decomposition technique, the proposed method first decomposes an image into the low- and high-frequency (HF) parts using a bilateral filter. The HF part is then decomposed into a "rain component" and a "nonrain component" by performing dictionary learning and sparse coding. As a result, the rain component can be successfully removed from the image while preserving most original image details. Experimental results demonstrate the efficacy of the proposed algorithm.

  18. Thermal Decomposition Behaviors and Burning Characteristics of AN/Nitramine-Based Composite Propellant

    NASA Astrophysics Data System (ADS)

    Naya, Tomoki; Kohga, Makoto

    2015-04-01

    Ammonium nitrate (AN) has attracted much attention due to its clean burning nature as an oxidizer. However, an AN-based composite propellant has the disadvantages of low burning rate and poor ignitability. In this study, we added nitramine of cyclotrimethylene trinitramine (RDX) or cyclotetramethylene tetranitramine (HMX) as a high-energy material to AN propellants to overcome these disadvantages. The thermal decomposition and burning rate characteristics of the prepared propellants were examined as the ratio of AN and nitramine was varied. In the thermal decomposition process, AN/RDX propellants showed unique mass loss peaks in the lower temperature range that were not observed for AN or RDX propellants alone. AN and RDX decomposed continuously as an almost single oxidizer in the AN/RDX propellant. In contrast, AN/HMX propellants exhibited thermal decomposition characteristics similar to those of AN and HMX, which decomposed almost separately in the thermal decomposition of the AN/HMX propellant. The ignitability was improved and the burning rate increased by the addition of nitramine for both AN/RDX and AN/HMX propellants. The increased burning rates of AN/RDX propellants were greater than those of AN/HMX. The difference in the thermal decomposition and burning characteristics was caused by the interaction between AN and RDX.

  19. Gold(I)-catalyzed diazo cross-coupling: a selective and ligand-controlled denitrogenation/cyclization cascade.

    PubMed

    Xu, Guangyang; Zhu, Chenghao; Gu, Weijin; Li, Jian; Sun, Jiangtao

    2015-01-12

    An unprecedented gold-catalyzed ligand-controlled cross-coupling of diazo compounds by sequential selective denitrogenation and cyclization affords N-substituted pyrazoles in a position-switchable mode. This novel transformation features selective decomposition of one diazo moiety and simultaneous preservation of the other one from two substrates. Notably, the choice of the ancillary ligand to the gold complex plays a pivotal role on the chemo- and regioselectivity of the reactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Synthesis of pyrrole-imidazole polyamide oligomers based on a copper-catalyzed cross-coupling strategy.

    PubMed

    Shiga, Naoki; Takayanagi, Shihori; Muramoto, Risa; Murakami, Tasuku; Qin, Rui; Suzuki, Yuta; Shinohara, Ken-Ichi; Kaneda, Atsushi; Nemoto, Tetsuhiro

    2017-05-15

    Pyrrole-imidazole (Py-Im) polyamides are useful tools for chemical biology and medicinal chemistry studies due to their unique binding properties to the minor groove of DNA. We developed a novel method of synthesizing Py-Im polyamide oligomers based on a Cu-catalyzed cross-coupling strategy. All four patterns of dimer fragments could be synthesized using a Cu-catalyzed Ullmann-type cross-coupling with easily prepared monomer units. Moreover, we demonstrated that pyrrole dimer, trimer, and tetramer building blocks for Py-Im polyamide synthesis were accessible by combining site selective iodination of the pyrrole/pyrrole coupling adduct. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Decomposition of metabolic network into functional modules based on the global connectivity structure of reaction graph.

    PubMed

    Ma, Hong-Wu; Zhao, Xue-Ming; Yuan, Ying-Jin; Zeng, An-Ping

    2004-08-12

    Metabolic networks are organized in a modular, hierarchical manner. Methods for a rational decomposition of the metabolic network into relatively independent functional subsets are essential to better understand the modularity and organization principle of a large-scale, genome-wide network. Network decomposition is also necessary for functional analysis of metabolism by pathway analysis methods that are often hampered by the problem of combinatorial explosion due to the complexity of metabolic network. Decomposition methods proposed in literature are mainly based on the connection degree of metabolites. To obtain a more reasonable decomposition, the global connectivity structure of metabolic networks should be taken into account. In this work, we use a reaction graph representation of a metabolic network for the identification of its global connectivity structure and for decomposition. A bow-tie connectivity structure similar to that previously discovered for metabolite graph is found also to exist in the reaction graph. Based on this bow-tie structure, a new decomposition method is proposed, which uses a distance definition derived from the path length between two reactions. An hierarchical classification tree is first constructed from the distance matrix among the reactions in the giant strong component of the bow-tie structure. These reactions are then grouped into different subsets based on the hierarchical tree. Reactions in the IN and OUT subsets of the bow-tie structure are subsequently placed in the corresponding subsets according to a 'majority rule'. Compared with the decomposition methods proposed in literature, ours is based on combined properties of the global network structure and local reaction connectivity rather than, primarily, on the connection degree of metabolites. The method is applied to decompose the metabolic network of Escherichia coli. Eleven subsets are obtained. More detailed investigations of the subsets show that reactions in the

  2. Image fusion method based on regional feature and improved bidimensional empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Qin, Xinqiang; Hu, Gang; Hu, Kai

    2018-01-01

    The decomposition of multiple source images using bidimensional empirical mode decomposition (BEMD) often produces mismatched bidimensional intrinsic mode functions, either by their number or their frequency, making image fusion difficult. A solution to this problem is proposed using a fixed number of iterations and a union operation in the sifting process. By combining the local regional features of the images, an image fusion method has been developed. First, the source images are decomposed using the proposed BEMD to produce the first intrinsic mode function (IMF) and residue component. Second, for the IMF component, a selection and weighted average strategy based on local area energy is used to obtain a high-frequency fusion component. Third, for the residue component, a selection and weighted average strategy based on local average gray difference is used to obtain a low-frequency fusion component. Finally, the fused image is obtained by applying the inverse BEMD transform. Experimental results show that the proposed algorithm provides superior performance over methods based on wavelet transform, line and column-based EMD, and complex empirical mode decomposition, both in terms of visual quality and objective evaluation criteria.

  3. Set-Based Discrete Particle Swarm Optimization Based on Decomposition for Permutation-Based Multiobjective Combinatorial Optimization Problems.

    PubMed

    Yu, Xue; Chen, Wei-Neng; Gu, Tianlong; Zhang, Huaxiang; Yuan, Huaqiang; Kwong, Sam; Zhang, Jun

    2018-07-01

    This paper studies a specific class of multiobjective combinatorial optimization problems (MOCOPs), namely the permutation-based MOCOPs. Many commonly seen MOCOPs, e.g., multiobjective traveling salesman problem (MOTSP), multiobjective project scheduling problem (MOPSP), belong to this problem class and they can be very different. However, as the permutation-based MOCOPs share the inherent similarity that the structure of their search space is usually in the shape of a permutation tree, this paper proposes a generic multiobjective set-based particle swarm optimization methodology based on decomposition, termed MS-PSO/D. In order to coordinate with the property of permutation-based MOCOPs, MS-PSO/D utilizes an element-based representation and a constructive approach. Through this, feasible solutions under constraints can be generated step by step following the permutation-tree-shaped structure. And problem-related heuristic information is introduced in the constructive approach for efficiency. In order to address the multiobjective optimization issues, the decomposition strategy is employed, in which the problem is converted into multiple single-objective subproblems according to a set of weight vectors. Besides, a flexible mechanism for diversity control is provided in MS-PSO/D. Extensive experiments have been conducted to study MS-PSO/D on two permutation-based MOCOPs, namely the MOTSP and the MOPSP. Experimental results validate that the proposed methodology is promising.

  4. Efficient production of free fatty acids from ionic liquid-based acid- or enzyme-catalyzed bamboo hydrolysate.

    PubMed

    Mi, Le; Qin, Dandan; Cheng, Jie; Wang, Dan; Li, Sha; Wei, Xuetuan

    2017-03-01

    Two engineered Escherichia coli strains, DQ101 (MG1655 fadD - )/pDQTES and DQ101 (MG1655 fadD - )/pDQTESZ were constructed to investigate the free fatty acid production using ionic liquid-based acid- or enzyme-catalyzed bamboo hydrolysate as carbon source in this study. The plasmid, pDQTES, carrying an acyl-ACP thioesterase 'TesA of E. coli in pTrc99A was constructed firstly, and then (3R)-hydroxyacyl-ACP dehydratase was ligated after the TesA to give the plasmid pDQTESZ. These two strains exhibited efficient fatty acid production when glucose was used as the sole carbon source, with a final concentration of 2.45 and 3.32 g/L, respectively. The free fatty acid production of the two strains on xylose is not as efficient as that on glucose, which was 2.32 and 2.96 g/L, respectively. For mixed sugars, DQ101 (MG1655 fadD - )-based strains utilized glucose and pentose sequentially under the carbon catabolite repression (CCR) regulation. The highest total FFAs concentration from the mixed sugar culture reached 2.81 g/L by DQ101 (MG1655 fadD - )/pDQTESZ. Furthermore, when ionic liquid-based enzyme-catalyzed bamboo hydrolysate was used as the carbon source, the strain DQ101 (MG1655 fadD - )/pDQTESZ could produce 1.23 g/L FFAs with a yield of 0.13 g/g, and while it just produced 0.65 g/L free fatty acid with the ionic liquid-based acid-catalyzed bamboo hydrolysate as the feedstock. The results suggested that enzymatic catalyzed bamboo hydrolysate with ionic liquid pretreatment could serve as an efficient feedstock for free fatty acid production.

  5. Adaptive variational mode decomposition method for signal processing based on mode characteristic

    NASA Astrophysics Data System (ADS)

    Lian, Jijian; Liu, Zhuo; Wang, Haijun; Dong, Xiaofeng

    2018-07-01

    Variational mode decomposition is a completely non-recursive decomposition model, where all the modes are extracted concurrently. However, the model requires a preset mode number, which limits the adaptability of the method since a large deviation in the number of mode set will cause the discard or mixing of the mode. Hence, a method called Adaptive Variational Mode Decomposition (AVMD) was proposed to automatically determine the mode number based on the characteristic of intrinsic mode function. The method was used to analyze the simulation signals and the measured signals in the hydropower plant. Comparisons have also been conducted to evaluate the performance by using VMD, EMD and EWT. It is indicated that the proposed method has strong adaptability and is robust to noise. It can determine the mode number appropriately without modulation even when the signal frequencies are relatively close.

  6. Tissue artifact removal from respiratory signals based on empirical mode decomposition.

    PubMed

    Liu, Shaopeng; Gao, Robert X; John, Dinesh; Staudenmayer, John; Freedson, Patty

    2013-05-01

    On-line measurement of respiration plays an important role in monitoring human physical activities. Such measurement commonly employs sensing belts secured around the rib cage and abdomen of the test object. Affected by the movement of body tissues, respiratory signals typically have a low signal-to-noise ratio. Removing tissue artifacts therefore is critical to ensuring effective respiration analysis. This paper presents a signal decomposition technique for tissue artifact removal from respiratory signals, based on the empirical mode decomposition (EMD). An algorithm based on the mutual information and power criteria was devised to automatically select appropriate intrinsic mode functions for tissue artifact removal and respiratory signal reconstruction. Performance of the EMD-algorithm was evaluated through simulations and real-life experiments (N = 105). Comparison with low-pass filtering that has been conventionally applied confirmed the effectiveness of the technique in tissue artifacts removal.

  7. An inductance Fourier decomposition-based current-hysteresis control strategy for switched reluctance motors

    NASA Astrophysics Data System (ADS)

    Hua, Wei; Qi, Ji; Jia, Meng

    2017-05-01

    Switched reluctance machines (SRMs) have attracted extensive attentions due to the inherent advantages, including simple and robust structure, low cost, excellent fault-tolerance and wide speed range, etc. However, one of the bottlenecks limiting the SRMs for further applications is its unfavorable torque ripple, and consequently noise and vibration due to the unique doubly-salient structure and pulse-current-based power supply method. In this paper, an inductance Fourier decomposition-based current-hysteresis-control (IFD-CHC) strategy is proposed to reduce torque ripple of SRMs. After obtaining a nonlinear inductance-current-position model based Fourier decomposition, reference currents can be calculated by reference torque and the derived inductance model. Both the simulations and experimental results confirm the effectiveness of the proposed strategy.

  8. Dominant modal decomposition method

    NASA Astrophysics Data System (ADS)

    Dombovari, Zoltan

    2017-03-01

    The paper deals with the automatic decomposition of experimental frequency response functions (FRF's) of mechanical structures. The decomposition of FRF's is based on the Green function representation of free vibratory systems. After the determination of the impulse dynamic subspace, the system matrix is formulated and the poles are calculated directly. By means of the corresponding eigenvectors, the contribution of each element of the impulse dynamic subspace is determined and the sufficient decomposition of the corresponding FRF is carried out. With the presented dominant modal decomposition (DMD) method, the mode shapes, the modal participation vectors and the modal scaling factors are identified using the decomposed FRF's. Analytical example is presented along with experimental case studies taken from machine tool industry.

  9. Carbon isotope fractionation of 1,1,1-trichloroethane during base-catalyzed persulfate treatment.

    PubMed

    Marchesi, Massimo; Thomson, Neil R; Aravena, Ramon; Sra, Kanwartej S; Otero, Neus; Soler, Albert

    2013-09-15

    The extent of carbon isotope fractionation during degradation of 1,1,1-trichloroethane (1,1,1-TCA) by a base-catalyzed persulfate (S₂O₈(2-)) treatment system was investigated. Significant destruction of 1,1,1-TCA was observed at a pH of ∼12. An increase in the NaOH:S₂O₈(2-) molar ratio from 0.2:1 to 8:1 enhanced the reaction rate of 1,1,1-TCA by a factor of ∼5 to yield complete (>99.9%) destruction. An average carbon isotope enrichment fractionation factor which was independent of the NaOH:S₂O₈(2-) molar ratio of -7.0 ± 0.2‰ was obtained. This significant carbon isotope fractionation and the lack of dependence on changes in the NaOH:S₂O₈(2-) molar ratio demonstrates that carbon isotope analysis can potentially be used in situ as a performance assessment tool to estimate the degradation effectiveness of 1,1,1-TCA by a base-catalyzed persulfate system. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Automated Decomposition of Model-based Learning Problems

    NASA Technical Reports Server (NTRS)

    Williams, Brian C.; Millar, Bill

    1996-01-01

    A new generation of sensor rich, massively distributed autonomous systems is being developed that has the potential for unprecedented performance, such as smart buildings, reconfigurable factories, adaptive traffic systems and remote earth ecosystem monitoring. To achieve high performance these massive systems will need to accurately model themselves and their environment from sensor information. Accomplishing this on a grand scale requires automating the art of large-scale modeling. This paper presents a formalization of [\\em decompositional model-based learning (DML)], a method developed by observing a modeler's expertise at decomposing large scale model estimation tasks. The method exploits a striking analogy between learning and consistency-based diagnosis. Moriarty, an implementation of DML, has been applied to thermal modeling of a smart building, demonstrating a significant improvement in learning rate.

  11. Frequency hopping signal detection based on wavelet decomposition and Hilbert-Huang transform

    NASA Astrophysics Data System (ADS)

    Zheng, Yang; Chen, Xihao; Zhu, Rui

    2017-07-01

    Frequency hopping (FH) signal is widely adopted by military communications as a kind of low probability interception signal. Therefore, it is very important to research the FH signal detection algorithm. The existing detection algorithm of FH signals based on the time-frequency analysis cannot satisfy the time and frequency resolution requirement at the same time due to the influence of window function. In order to solve this problem, an algorithm based on wavelet decomposition and Hilbert-Huang transform (HHT) was proposed. The proposed algorithm removes the noise of the received signals by wavelet decomposition and detects the FH signals by Hilbert-Huang transform. Simulation results show the proposed algorithm takes into account both the time resolution and the frequency resolution. Correspondingly, the accuracy of FH signals detection can be improved.

  12. The design and implementation of signal decomposition system of CL multi-wavelet transform based on DSP builder

    NASA Astrophysics Data System (ADS)

    Huang, Yan; Wang, Zhihui

    2015-12-01

    With the development of FPGA, DSP Builder is widely applied to design system-level algorithms. The algorithm of CL multi-wavelet is more advanced and effective than scalar wavelets in processing signal decomposition. Thus, a system of CL multi-wavelet based on DSP Builder is designed for the first time in this paper. The system mainly contains three parts: a pre-filtering subsystem, a one-level decomposition subsystem and a two-level decomposition subsystem. It can be converted into hardware language VHDL by the Signal Complier block that can be used in Quartus II. After analyzing the energy indicator, it shows that this system outperforms Daubenchies wavelet in signal decomposition. Furthermore, it has proved to be suitable for the implementation of signal fusion based on SoPC hardware, and it will become a solid foundation in this new field.

  13. Possibility of H2O2 decomposition in thin liquid films on Mars

    NASA Astrophysics Data System (ADS)

    Kereszturi, Akos; Gobi, Sandor

    2014-11-01

    In this work the pathways and possibilities of H2O2 decomposition on Mars in microscopic liquid interfacial water were analyzed by kinetic calculations. Thermal and photochemical driven decomposition, just like processes catalyzed by various metal oxides, is too slow compared to the annual duration while such microscopic liquid layers exist on Mars today, to produce substantial decomposition. The most effective analyzed process is catalyzed by Fe ions, which could decompose H2O2 under pH<4.5 with a half life of 1-2 days. This process might be important during volcanically influenced periods when sulfur release produces acidic pH, and rotational axis tilt change driven climatic changes also influence the volatile circulation and spatial occurrence just like the duration of thin liquid layer. Under current conditions, using the value of 200 K as the temperature in interfacial water (at the southern hemisphere), and applying Phoenix lander's wet chemistry laboratory results, the pH is not favorable for Fe mobility and this kind of decomposition. Despite current conditions (especially pH) being unfavorable for H2O2 decomposition, microscopic scale interfacial liquid water still might support the process. By the reaction called heterogeneous catalysis, without acidic pH and mobile Fe, but with minerals surfaces containing Fe decomposition of H2O2 with half life of 20 days can happen. This duration is still longer but not several orders than the existence of springtime interfacial liquid water on Mars today. This estimation is relevant for activation energy controlled reaction rates. The other main parameter that may influence the reaction rate is the diffusion speed. Although the available tests and theoretical calculations do not provide firm values for the diffusion speed in such a “2-dimensional” environment, using relevant estimations this parameter in the interfacial liquid layer is smaller than in bulk water. But the 20 days' duration mentioned above is still

  14. Molecular mechanism of metal-independent decomposition of lipid hydroperoxide 13-HPODE by halogenated quinoid carcinogens.

    PubMed

    Qin, Hao; Huang, Chun-Hua; Mao, Li; Xia, Hai-Ying; Kalyanaraman, Balaraman; Shao, Jie; Shan, Guo-Qiang; Zhu, Ben-Zhan

    2013-10-01

    Halogenated quinones are a class of carcinogenic intermediates and newly identified chlorination disinfection by-products in drinking water. 13-Hydroperoxy-9,11-octadecadienoic acid (13-HPODE) is the most extensively studied endogenous lipid hydroperoxide. Although it is well known that the decomposition of 13-HPODE can be catalyzed by transition metal ions, it is not clear whether halogenated quinones could enhance its decomposition independent of metal ions and, if so, what the unique characteristics and similarities are. Here we show that 2,5-dichloro-1,4-benzoquinone (DCBQ) could markedly enhance the decomposition of 13-HPODE and formation of reactive lipid alkyl radicals such as pentyl and 7-carboxyheptyl radicals, and the genotoxic 4-hydroxy-2-nonenal (HNE), through the complementary application of ESR spin trapping, HPLC-MS, and GC-MS methods. Interestingly, two chloroquinone-lipid alkoxyl conjugates were also detected and identified from the reaction between DCBQ and 13-HPODE. Analogous results were observed with other halogenated quinones. This represents the first report that halogenated quinoid carcinogens can enhance the decomposition of the endogenous lipid hydroperoxide 13-HPODE and formation of reactive lipid alkyl radicals and genotoxic HNE via a novel metal-independent nucleophilic substitution coupled with homolytic decomposition mechanism, which may partly explain their potential genotoxicity and carcinogenicity. Copyright © 2013 Elsevier Inc. All rights reserved.

  15. Electrophilic assistance to the cleavage of an RNA model phopshodiester via specific and general base-catalyzed mechanisms.

    PubMed

    Corona-Martínez, David Octavio; Gomez-Tagle, Paola; Yatsimirsky, Anatoly K

    2012-10-19

    Kinetics of transesterification of the RNA model substrate 2-hydroxypropyl 4-nitrophenyl phosphate promoted by Mg(2+) and Ca(2+), the most common biological metals acting as cofactors for nuclease enzymes and ribozymes, as well as by Co(NH(3))(6)(3+), Co(en)(3)(3+), Li(+), and Na(+) cations, often employed as mechanistic probes, was studied in 80% v/v (50 mol %) aqueous DMSO, a medium that allows one to discriminate easily specific base (OH(-)-catalyzed) and general base (buffer-catalyzed) reaction paths. All cations assist the specific base reaction, but only Mg(2+) and Na(+) assist the general base reaction. For Mg(2+)-assisted reactions, the solvent deuterium isotope effects are 1.23 and 0.25 for general base and specific base mechanisms, respectively. Rate constants for Mg(2+)-assisted general base reactions measured with different bases fit the Brønsted correlation with a slope of 0.38, significantly lower than the slope for the unassisted general base reaction (0.77). Transition state binding constants for catalysts in the specific base reaction (K(‡)(OH)) both in aqueous DMSO and pure water correlate with their binding constants to 4-nitrophenyl phosphate dianion (K(NPP)) used as a minimalist transition state model. It was found that K(‡)(OH) ≈ K(NPP) for "protic" catalysts (Co(NH(3))(6)(3+), Co(en)(3)(3+), guanidinium), but K(‡)(OH) ≫ K(NPP) for Mg(2+) and Ca(2+) acting as Lewis acids. It appears from results of this study that Mg(2+) is unique in its ability to assist efficiently the general base-catalyzed transesterification often occurring in active sites of nuclease enzymes and ribozymes.

  16. Assembly of catalase-based bioconjugates for enhanced anticancer efficiency of photodynamic therapy in vitro.

    PubMed

    Zhao, Jie; Fei, Jinbo; Du, Cuiling; Cui, Wei; Ma, Hongchao; Li, Junbai

    2013-11-25

    An oxygen generation core-shell structure uploading rose bengal has been fabricated by covalent assembly of catalase and alginate dialdehyde via Schiff's base. The composite can catalyze the decomposition of intracellular H2O2 to increase the concentration of O2, which effectively enhances the anticancer efficiency of photodynamic therapy in vitro.

  17. Mechanism of xanthine oxidase catalyzed biotransformation of HMX under anaerobic conditions.

    PubMed

    Bhushan, Bharat; Paquet, Louise; Halasz, Annamaria; Spain, Jim C; Hawari, Jalal

    2003-06-27

    Enzyme catalyzed biotransformation of the energetic chemical octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) is not known. The present study describes a xanthine oxidase (XO) catalyzed biotransformation of HMX to provide insight into the biodegradation pathway of this energetic chemical. The rates of biotransformation under aerobic and anaerobic conditions were 1.6+/-0.2 and 10.5+/-0.9 nmolh(-1)mgprotein(-1), respectively, indicating that anaerobic conditions favored the reaction. The biotransformation rate was about 6-fold higher using NADH as an electron-donor compared to xanthine. During the course of reaction, the products obtained were nitrite (NO(2)(-)), methylenedinitramine (MDNA), 4-nitro-2,4-diazabutanal (NDAB), formaldehyde (HCHO), nitrous oxide (N(2)O), formic acid (HCOOH), and ammonium (NH(4)(+)). The product distribution gave carbon and nitrogen mass-balances of 91% and 88%, respectively. A comparative study with native-, deflavo-, and desulfo-XO and the site-specific inhibition studies showed that HMX biotransformation occurred at the FAD-site of XO. Nitrite stoichiometry revealed that an initial single N-denitration step was sufficient for the spontaneous decomposition of HMX.

  18. Interfacial mechanisms of heterogeneous Fenton reactions catalyzed by iron-based materials: A review.

    PubMed

    He, Jie; Yang, Xiaofang; Men, Bin; Wang, Dongsheng

    2016-01-01

    The heterogeneous Fenton reaction can generate highly reactive hydroxyl radicals (OH) from reactions between recyclable solid catalysts and H2O2 at acidic or even circumneutral pH. Hence, it can effectively oxidize refractory organics in water or soils and has become a promising environmentally friendly treatment technology. Due to the complex reaction system, the mechanism behind heterogeneous Fenton reactions remains unresolved but fascinating, and is crucial for understanding Fenton chemistry and the development and application of efficient heterogeneous Fenton technologies. Iron-based materials usually possess high catalytic activity, low cost, negligible toxicity and easy recovery, and are a superior type of heterogeneous Fenton catalysts. Therefore, this article reviews the fundamental but important interfacial mechanisms of heterogeneous Fenton reactions catalyzed by iron-based materials. OH, hydroperoxyl radicals/superoxide anions (HO2/O2(-)) and high-valent iron are the three main types of reactive oxygen species (ROS), with different oxidation reactivity and selectivity. Based on the mechanisms of ROS generation, the interfacial mechanisms of heterogeneous Fenton systems can be classified as the homogeneous Fenton mechanism induced by surface-leached iron, the heterogeneous catalysis mechanism, and the heterogeneous reaction-induced homogeneous mechanism. Different heterogeneous Fenton systems catalyzed by characteristic iron-based materials are comprehensively reviewed. Finally, related future research directions are also suggested. Copyright © 2015. Published by Elsevier B.V.

  19. Lewis base catalyzed aldol additions of chiral trichlorosilyl enolates and silyl enol ethers.

    PubMed

    Denmark, Scott E; Fujimori, Shinji; Pham, Son M

    2005-12-23

    [structures: see text] The consequences of double diastereodifferentiation in chiral Lewis base catalyzed aldol additions using chiral enoxysilanes derived from lactate, 3-hydroxyisobutyrate, and 3-hydroxybutyrate have been investigated. Trichlorosilyl enolates derived from the chiral methyl and ethyl ketones were subjected to aldolization in the presence of phosphoramides, and the intrinsic selectivity of these enolates and the external stereoinduction from chiral catalyst were studied. In the reactions with the lactate derived enolate, the strong internal stereoinduction dominated the stereochemical outcome of the aldol addition. For the 3-hydroxyisobutyrate- and 3-hydroxybutyrate derived enolates, the catalyst-controlled diastereoselectivities were observed, and the resident stereogenic centers exerted marginal influence. The corresponding trimethylsilyl enol ethers were employed in SiCl4/bisphosphoramide catalyzed aldol additions, and the effect of double diastereodifferentiation was also investigated. The overall diastereoselection of the process was again controlled by the strong external influence of the catalyst.

  20. Repeated decompositions reveal the stability of infomax decomposition of fMRI data

    PubMed Central

    Duann, Jeng-Ren; Jung, Tzyy-Ping; Sejnowski, Terrence J.; Makeig, Scott

    2010-01-01

    In this study, we decomposed 12 fMRI data sets from six subjects each 101 times using the infomax algorithm. The first decomposition was taken as a reference decomposition; the others were used to form a component matrix of 100 by 100 components. Equivalence relations between components in this matrix, defined as maximum spatial correlations to the components of the reference decomposition, were found by the Hungarian sorting method and used to form 100 equivalence classes for each data set. We then tested the reproducibility of the matched components in the equivalence classes using uncertainty measures based on component distributions, time courses, and ROC curves. Infomax ICA rarely failed to derive nearly the same components in different decompositions. Very few components per data set were poorly reproduced, even using vector angle uncertainty measures stricter than correlation and detection theory measures. PMID:17281453

  1. Effect of CaO on the selectivity of N2O decomposition products: A combined experimental and DFT study

    NASA Astrophysics Data System (ADS)

    Wu, Lingnan; Hu, Xiaoying; Qin, Wu; Gao, Pan; Dong, Changqing; Yang, Yongping

    2016-09-01

    The effect of CaO on N2O decomposition and the selectivity of its decomposition products (NO and N2) was investigated using a fixed-bed flow reactor with varying temperatures from 317 °C to 947 °C. The selectivity of NO from CaO-catalyzed N2O decomposition is much lower than the N2 selectivity with the N2/NO products ratio greater than 12.1. Compared to N2O homogeneous decomposition with the minimum N2/NO products ratio of 6.2 at 718 °C, CaO also decreases the NO selectivity from 718 °C to 947 °C. Density functional theory calculations provide possible N2O decomposition routes on the CaO (1 0 0) surface considering both N2 and NO as N2O decomposition products. The N2 formation route is more favorable than the NO formation route in terms of energy barrier and reaction energy, and NO formation on the CaO (1 0 0) surface is likely to proceed via N2O + Osurf2- → N2 + O2 , surf2- and N2O + O2 , surf2- → 2NO + Osurf2-.

  2. Exploring Patterns of Soil Organic Matter Decomposition with Students through the Global Decomposition Project (GDP) and the Interactive Model of Leaf Decomposition (IMOLD)

    NASA Astrophysics Data System (ADS)

    Steiner, S. M.; Wood, J. H.

    2015-12-01

    As decomposition rates are affected by climate change, understanding crucial soil interactions that affect plant growth and decomposition becomes a vital part of contributing to the students' knowledge base. The Global Decomposition Project (GDP) is designed to introduce and educate students about soil organic matter and decomposition through a standardized protocol for collecting, reporting, and sharing data. The Interactive Model of Leaf Decomposition (IMOLD) utilizes animations and modeling to learn about the carbon cycle, leaf anatomy, and the role of microbes in decomposition. Paired together, IMOLD teaches the background information and allows simulation of numerous scenarios, and the GDP is a data collection protocol that allows students to gather usable measurements of decomposition in the field. Our presentation will detail how the GDP protocol works, how to obtain or make the materials needed, and how results will be shared. We will also highlight learning objectives from the three animations of IMOLD, and demonstrate how students can experiment with different climates and litter types using the interactive model to explore a variety of decomposition scenarios. The GDP demonstrates how scientific methods can be extended to educate broader audiences, and data collected by students can provide new insight into global patterns of soil decomposition. Using IMOLD, students will gain a better understanding of carbon cycling in the context of litter decomposition, as well as learn to pose questions they can answer with an authentic computer model. Using the GDP protocols and IMOLD provide a pathway for scientists and educators to interact and reach meaningful education and research goals.

  3. A Type-2 Block-Component-Decomposition Based 2D AOA Estimation Algorithm for an Electromagnetic Vector Sensor Array.

    PubMed

    Gao, Yu-Fei; Gui, Guan; Xie, Wei; Zou, Yan-Bin; Yang, Yue; Wan, Qun

    2017-04-27

    This paper investigates a two-dimensional angle of arrival (2D AOA) estimation algorithm for the electromagnetic vector sensor (EMVS) array based on Type-2 block component decomposition (BCD) tensor modeling. Such a tensor decomposition method can take full advantage of the multidimensional structural information of electromagnetic signals to accomplish blind estimation for array parameters with higher resolution. However, existing tensor decomposition methods encounter many restrictions in applications of the EMVS array, such as the strict requirement for uniqueness conditions of decomposition, the inability to handle partially-polarized signals, etc. To solve these problems, this paper investigates tensor modeling for partially-polarized signals of an L-shaped EMVS array. The 2D AOA estimation algorithm based on rank- ( L 1 , L 2 , · ) BCD is developed, and the uniqueness condition of decomposition is analyzed. By means of the estimated steering matrix, the proposed algorithm can automatically achieve angle pair-matching. Numerical experiments demonstrate that the present algorithm has the advantages of both accuracy and robustness of parameter estimation. Even under the conditions of lower SNR, small angular separation and limited snapshots, the proposed algorithm still possesses better performance than subspace methods and the canonical polyadic decomposition (CPD) method.

  4. Global sensitivity analysis for fuzzy inputs based on the decomposition of fuzzy output entropy

    NASA Astrophysics Data System (ADS)

    Shi, Yan; Lu, Zhenzhou; Zhou, Yicheng

    2018-06-01

    To analyse the component of fuzzy output entropy, a decomposition method of fuzzy output entropy is first presented. After the decomposition of fuzzy output entropy, the total fuzzy output entropy can be expressed as the sum of the component fuzzy entropy contributed by fuzzy inputs. Based on the decomposition of fuzzy output entropy, a new global sensitivity analysis model is established for measuring the effects of uncertainties of fuzzy inputs on the output. The global sensitivity analysis model can not only tell the importance of fuzzy inputs but also simultaneously reflect the structural composition of the response function to a certain degree. Several examples illustrate the validity of the proposed global sensitivity analysis, which is a significant reference in engineering design and optimization of structural systems.

  5. Initial mechanisms for the unimolecular decomposition of electronically excited bisfuroxan based energetic materials.

    PubMed

    Yuan, Bing; Bernstein, Elliot R

    2017-01-07

    Unimolecular decomposition of energetic molecules, 3,3'-diamino-4,4'-bisfuroxan (labeled as A) and 4,4'-diamino-3,3'-bisfuroxan (labeled as B), has been explored via 226/236 nm single photon laser excitation/decomposition. These two energetic molecules, subsequent to UV excitation, create NO as an initial decomposition product at the nanosecond excitation energies (5.0-5.5 eV) with warm vibrational temperature (1170 ± 50 K for A, 1400 ± 50 K for B) and cold rotational temperature (<55 K). Initial decomposition mechanisms for these two electronically excited, isolated molecules are explored at the complete active space self-consistent field (CASSCF(12,12)/6-31G(d)) level with and without MP2 correction. Potential energy surface calculations illustrate that conical intersections play an essential role in the calculated decomposition mechanisms. Based on experimental observations and theoretical calculations, NO product is released through opening of the furoxan ring: ring opening can occur either on the S 1 excited or S 0 ground electronic state. The reaction path with the lowest energetic barrier is that for which the furoxan ring opens on the S 1 state via the breaking of the N1-O1 bond. Subsequently, the molecule moves to the ground S 0 state through related ring-opening conical intersections, and an NO product is formed on the ground state surface with little rotational excitation at the last NO dissociation step. For the ground state ring opening decomposition mechanism, the N-O bond and C-N bond break together in order to generate dissociated NO. With the MP2 correction for the CASSCF(12,12) surface, the potential energies of molecules with dissociated NO product are in the range from 2.04 to 3.14 eV, close to the theoretical result for the density functional theory (B3LYP) and MP2 methods. The CASMP2(12,12) corrected approach is essential in order to obtain a reasonable potential energy surface that corresponds to the observed decomposition behavior of these

  6. Ru(III) catalyzed permanganate oxidation of aniline at environmentally relevant pH.

    PubMed

    Zhang, Jing; Zhang, Ying; Wang, Hui; Guan, Xiaohong

    2014-07-01

    Ru(III) was employed as catalyst for aniline oxidation by permanganate at environmentally relevant pH for the first time. Ru(III) could significantly improve the oxidation rate of aniline by 5-24 times with its concentration increasing from 2.5 to 15 μmol/L. The reaction of Ru(III) catalyzed permanganate oxidation of aniline was first-order with respect to aniline, permanganate and Ru(III), respectively. Thus the oxidation kinetics can be described by a third-order rate law. Aniline degradation by Ru(III) catalyzed permanganate oxidation was markedly influenced by pH, and the second-order rate constant (ktapp) decreased from 643.20 to 2.67 (mol/L)⁻¹sec⁻¹ with increasing pH from 4.0 to 9.0, which was possibly due to the decrease of permanganate oxidation potential with increasing pH. In both the uncatalytic and catalytic permanganate oxidation, six byproducts of aniline were identified in UPLC-MS/MS analysis. Ru(III), as an electron shuttle, was oxidized by permanganate to Ru(VI) and Ru(VII), which acted the co-oxidants for decomposition of aniline. Although Ru(III) could catalyze permanganate oxidation of aniline effectively, dosing homogeneous Ru(III) into water would lead to a second pollution. Therefore, efforts would be made to investigate the catalytic performance of supported Ru(III) toward permanganate oxidation in our future study. Copyright © 2014. Published by Elsevier B.V.

  7. Decomposition of Imidazolium-Based Ionic Liquids in Contact with Lithium Metal.

    PubMed

    Schmitz, Paulo; Jakelski, Rene; Pyschik, Marcelina; Jalkanen, Kirsi; Nowak, Sascha; Winter, Martin; Bieker, Peter

    2017-03-09

    Ionic liquids (ILs) are considered to be suitable electrolyte components for lithium-metal batteries. Imidazolium cation based ILs were previously found to be applicable for battery systems with a lithium-metal negative electrode. However, herein it is shown that, in contrast to the well-known IL N-butyl-N-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide ([Pyr 14 ][TFSI]), 1-ethyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([C2MIm][TFSI]) and 1-butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([C4MIm][TFSI]) are chemically unstable versus metallic lithium. A lithium-metal sheet was immersed in pure imidazolium-based IL samples and aged at 60 °C for 28 days. Afterwards, the aged IL samples were investigated to deduce possible decomposition products of the imidazolium cation. The chemical instability of the ILs in contact with lithium metal and a possible decomposition starting point are shown for the first time. Furthermore, the investigated imidazolium-based ILs can be utilized for lithium-metal batteries through the addition of the solid-electrolyte interphase (SEI) film-forming additive fluoroethylene carbonate. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. An Intelligent Pattern Recognition System Based on Neural Network and Wavelet Decomposition for Interpretation of Heart Sounds

    DTIC Science & Technology

    2001-10-25

    wavelet decomposition of signals and classification using neural network. Inputs to the system are the heart sound signals acquired by a stethoscope in a...Proceedings. pp. 415–418, 1990. [3] G. Ergun, “An intelligent diagnostic system for interpretation of arterpartum fetal heart rate tracings based on ANNs and...AN INTELLIGENT PATTERN RECOGNITION SYSTEM BASED ON NEURAL NETWORK AND WAVELET DECOMPOSITION FOR INTERPRETATION OF HEART SOUNDS I. TURKOGLU1, A

  9. Tree decomposition based fast search of RNA structures including pseudoknots in genomes.

    PubMed

    Song, Yinglei; Liu, Chunmei; Malmberg, Russell; Pan, Fangfang; Cai, Liming

    2005-01-01

    Searching genomes for RNA secondary structure with computational methods has become an important approach to the annotation of non-coding RNAs. However, due to the lack of efficient algorithms for accurate RNA structure-sequence alignment, computer programs capable of fast and effectively searching genomes for RNA secondary structures have not been available. In this paper, a novel RNA structure profiling model is introduced based on the notion of a conformational graph to specify the consensus structure of an RNA family. Tree decomposition yields a small tree width t for such conformation graphs (e.g., t = 2 for stem loops and only a slight increase for pseudo-knots). Within this modelling framework, the optimal alignment of a sequence to the structure model corresponds to finding a maximum valued isomorphic subgraph and consequently can be accomplished through dynamic programming on the tree decomposition of the conformational graph in time O(k(t)N(2)), where k is a small parameter; and N is the size of the projiled RNA structure. Experiments show that the application of the alignment algorithm to search in genomes yields the same search accuracy as methods based on a Covariance model with a significant reduction in computation time. In particular; very accurate searches of tmRNAs in bacteria genomes and of telomerase RNAs in yeast genomes can be accomplished in days, as opposed to months required by other methods. The tree decomposition based searching tool is free upon request and can be downloaded at our site h t t p ://w.uga.edu/RNA-informatics/software/index.php.

  10. A Type-2 Block-Component-Decomposition Based 2D AOA Estimation Algorithm for an Electromagnetic Vector Sensor Array

    PubMed Central

    Gao, Yu-Fei; Gui, Guan; Xie, Wei; Zou, Yan-Bin; Yang, Yue; Wan, Qun

    2017-01-01

    This paper investigates a two-dimensional angle of arrival (2D AOA) estimation algorithm for the electromagnetic vector sensor (EMVS) array based on Type-2 block component decomposition (BCD) tensor modeling. Such a tensor decomposition method can take full advantage of the multidimensional structural information of electromagnetic signals to accomplish blind estimation for array parameters with higher resolution. However, existing tensor decomposition methods encounter many restrictions in applications of the EMVS array, such as the strict requirement for uniqueness conditions of decomposition, the inability to handle partially-polarized signals, etc. To solve these problems, this paper investigates tensor modeling for partially-polarized signals of an L-shaped EMVS array. The 2D AOA estimation algorithm based on rank-(L1,L2,·) BCD is developed, and the uniqueness condition of decomposition is analyzed. By means of the estimated steering matrix, the proposed algorithm can automatically achieve angle pair-matching. Numerical experiments demonstrate that the present algorithm has the advantages of both accuracy and robustness of parameter estimation. Even under the conditions of lower SNR, small angular separation and limited snapshots, the proposed algorithm still possesses better performance than subspace methods and the canonical polyadic decomposition (CPD) method. PMID:28448431

  11. Watermarking scheme based on singular value decomposition and homomorphic transform

    NASA Astrophysics Data System (ADS)

    Verma, Deval; Aggarwal, A. K.; Agarwal, Himanshu

    2017-10-01

    A semi-blind watermarking scheme based on singular-value-decomposition (SVD) and homomorphic transform is pro-posed. This scheme ensures the digital security of an eight bit gray scale image by inserting an invisible eight bit gray scale wa-termark into it. The key approach of the scheme is to apply the homomorphic transform on the host image to obtain its reflectance component. The watermark is embedded into the singular values that are obtained by applying the singular value decomposition on the reflectance component. Peak-signal-to-noise-ratio (PSNR), normalized-correlation-coefficient (NCC) and mean-structural-similarity-index-measure (MSSIM) are used to evaluate the performance of the scheme. Invisibility of watermark is ensured by visual inspection and high value of PSNR of watermarked images. Presence of watermark is ensured by visual inspection and high values of NCC and MSSIM of extracted watermarks. Robustness of the scheme is verified by high values of NCC and MSSIM for attacked watermarked images.

  12. Reactions catalyzed by haloporphyrins

    DOEpatents

    Ellis, P.E. Jr.; Lyons, J.E.

    1996-02-06

    The invention provides novel methods for the oxidation of hydrocarbons with oxygen-containing gas to form hydroxy-group containing compounds and for the decomposition of hydroperoxides to form hydroxy-group containing compounds. The catalysts used in the methods of the invention comprise transition metal complexes of a porphyrin ring having 1 to 12 halogen substituents on the porphyrin ring, at least one of said halogens being in a meso position and/or the catalyst containing no aryl group in a meso position. The catalyst compositions are prepared by halogenating a transition metal complex of a porphyrin. In one embodiment, a complex of a porphyrin with a metal whose porphyrin complexes are not active for oxidation of alkanes is halogenated, thereby to obtain a haloporphyrin complex of that metal, the metal is removed from the haloporphyrin complex to obtain the free base form of the haloporphyrin, and a metal such as iron whose porphyrin complexes are active for oxidation of alkanes and for the decomposition of alkyl hydroperoxides is complexed with the free base to obtain an active catalyst for oxidation of alkanes and decomposition of alkyl hydroperoxides.

  13. Reactions catalyzed by haloporphyrins

    DOEpatents

    Ellis, Jr., Paul E.; Lyons, James E.

    1996-01-01

    The invention provides novel methods for the oxidation of hydrocarbons with oxygen-containing gas to form hydroxy-group containing compounds and for the decomposition of hydroperoxides to form hydroxygroup containing compounds. The catalysts used in the methods of the invention comprise transition metal complexes of a porphyrin ring having 1 to 12 halogen substituents on the porphyrin ring, at least one of said halogens being in a meso position and/or the catalyst containing no aryl group in a meso position. The catalyst compositions are prepared by halogenating a transition metal complex of a porphyrin. In one embodiment, a complex of a porphyrin with a metal whose porphyrin complexes are not active for oxidation of alkanes is halogenated, thereby to obtain a haloporphyrin complex of that metal, the metal is removed from the haloporphyrin complex to obtain the free base form of the haloporphyrin, and a metal such as iron whose porphyrin complexes are active for oxidation of alkanes and for the decomposition of alkyl hydroperoxides is complexed with the free base to obtain an active catalyst for oxidation of alkanes and decomposition of alkyl hydroperoxides.

  14. Muon Catalyzed Fusion

    NASA Technical Reports Server (NTRS)

    Armour, Edward A.G.

    2007-01-01

    Muon catalyzed fusion is a process in which a negatively charged muon combines with two nuclei of isotopes of hydrogen, e.g, a proton and a deuteron or a deuteron and a triton, to form a muonic molecular ion in which the binding is so tight that nuclear fusion occurs. The muon is normally released after fusion has taken place and so can catalyze further fusions. As the muon has a mean lifetime of 2.2 microseconds, this is the maximum period over which a muon can participate in this process. This article gives an outline of the history of muon catalyzed fusion from 1947, when it was first realised that such a process might occur, to the present day. It includes a description of the contribution that Drachrnan has made to the theory of muon catalyzed fusion and the influence this has had on the author's research.

  15. Remote catalyzation for direct formation of graphene layers on oxides.

    PubMed

    Teng, Po-Yuan; Lu, Chun-Chieh; Akiyama-Hasegawa, Kotone; Lin, Yung-Chang; Yeh, Chao-Hui; Suenaga, Kazu; Chiu, Po-Wen

    2012-03-14

    Direct deposition of high-quality graphene layers on insulating substrates such as SiO(2) paves the way toward the development of graphene-based high-speed electronics. Here, we describe a novel growth technique that enables the direct deposition of graphene layers on SiO(2) with crystalline quality potentially comparable to graphene grown on Cu foils using chemical vapor deposition (CVD). Rather than using Cu foils as substrates, our approach uses them to provide subliming Cu atoms in the CVD process. The prime feature of the proposed technique is remote catalyzation using floating Cu and H atoms for the decomposition of hydrocarbons. This allows for the direct graphitization of carbon radicals on oxide surfaces, forming isolated low-defect graphene layers without the need for postgrowth etching or evaporation of the metal catalyst. The defect density of the resulting graphene layers can be significantly reduced by tuning growth parameters such as the gas ratios, Cu surface areas, and substrate-to-Cu distance. Under optimized conditions, graphene layers with nondiscernible Raman D peaks can be obtained when predeposited graphite flakes are used as seeds for extended growth. © 2012 American Chemical Society

  16. Recurrence quantity analysis based on singular value decomposition

    NASA Astrophysics Data System (ADS)

    Bian, Songhan; Shang, Pengjian

    2017-05-01

    Recurrence plot (RP) has turned into a powerful tool in many different sciences in the last three decades. To quantify the complexity and structure of RP, recurrence quantification analysis (RQA) has been developed based on the measures of recurrence density, diagonal lines, vertical lines and horizontal lines. This paper will study the RP based on singular value decomposition which is a new perspective of RP study. Principal singular value proportion (PSVP) will be proposed as one new RQA measure and bigger PSVP means higher complexity for one system. In contrast, smaller PSVP reflects a regular and stable system. Considering the advantage of this method in detecting the complexity and periodicity of systems, several simulation and real data experiments are chosen to examine the performance of this new RQA.

  17. Substrate-dependent temperature sensitivity of soil organic matter decomposition

    NASA Astrophysics Data System (ADS)

    Myachina, Olga; Blagodatskaya, Evgenia

    2015-04-01

    Activity of extracellular enzymes responsible for decomposition of organics is substrate dependent. Quantity of the substrate is the main limiting factor for enzymatic or microbial heterotrophic activity in soils. Different mechanisms of enzymes response to temperature suggested for low and high substrate availability were never proved for real soil conditions. We compared the temperature responses of enzymes-catalyzed reactions in soils. Basing on Michaelis-Menten kinetics we determined the enzymes affinity to substrate (Km) and mineralization potential of heterotrophic microorganisms (Vmax) 1) for three hydrolytic enzymes: β-1,4-glucosidase, N-acetyl- β -D-glucosaminidase and phosphatase by the application of fluorogenically labeled substrates and 2) for mineralization of 14C-labeled glucose by substrate-dependent respiratory response. Here we show that the amount of available substrate is responsible for temperature sensitivity of hydrolysis of polymers in soil, whereas monomers oxidation to CO2 does not depend on substrate amount and is mainly temperature governed. We also found that substrate affinity of enzymes (which is usually decreases with the temperature) differently responded to warming for the process of depolymerisation versus monomers oxidation. We suggest the mechanism to temperature acclimation based on different temperature sensitivity of enzymes kinetics for hydrolysis of polymers and for monomers oxidation.

  18. Evolution-Based Functional Decomposition of Proteins

    PubMed Central

    Rivoire, Olivier; Reynolds, Kimberly A.; Ranganathan, Rama

    2016-01-01

    The essential biological properties of proteins—folding, biochemical activities, and the capacity to adapt—arise from the global pattern of interactions between amino acid residues. The statistical coupling analysis (SCA) is an approach to defining this pattern that involves the study of amino acid coevolution in an ensemble of sequences comprising a protein family. This approach indicates a functional architecture within proteins in which the basic units are coupled networks of amino acids termed sectors. This evolution-based decomposition has potential for new understandings of the structural basis for protein function. To facilitate its usage, we present here the principles and practice of the SCA and introduce new methods for sector analysis in a python-based software package (pySCA). We show that the pattern of amino acid interactions within sectors is linked to the divergence of functional lineages in a multiple sequence alignment—a model for how sector properties might be differentially tuned in members of a protein family. This work provides new tools for studying proteins and for generally testing the concept of sectors as the principal units of function and adaptive variation. PMID:27254668

  19. Spatial, temporal, and hybrid decompositions for large-scale vehicle routing with time windows

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bent, Russell W

    This paper studies the use of decomposition techniques to quickly find high-quality solutions to large-scale vehicle routing problems with time windows. It considers an adaptive decomposition scheme which iteratively decouples a routing problem based on the current solution. Earlier work considered vehicle-based decompositions that partitions the vehicles across the subproblems. The subproblems can then be optimized independently and merged easily. This paper argues that vehicle-based decompositions, although very effective on various problem classes also have limitations. In particular, they do not accommodate temporal decompositions and may produce spatial decompositions that are not focused enough. This paper then proposes customer-based decompositionsmore » which generalize vehicle-based decouplings and allows for focused spatial and temporal decompositions. Experimental results on class R2 of the extended Solomon benchmarks demonstrates the benefits of the customer-based adaptive decomposition scheme and its spatial, temporal, and hybrid instantiations. In particular, they show that customer-based decompositions bring significant benefits over large neighborhood search in contrast to vehicle-based decompositions.« less

  20. Soil organic matter-hydrogen peroxide dynamics in the treatment of contaminated soils and groundwater using catalyzed H2O2 propagations (modified Fenton's reagent).

    PubMed

    Bissey, Lauren L; Smith, Jeffrey L; Watts, Richard J

    2006-07-01

    The interactions between catalyzed H(2)O(2) propagations (CHP-i.e. modified Fenton's reagent) and soil organic matter (SOM) during the treatment of contaminated soils and groundwater was studied in a well-characterized surface soil. The fate of two fractions of SOM, particulate organic matter (POM) and nonparticulate organic matter (NPOM), during CHP reactions was evaluated using concentrations of hydrogen peroxide from 0.5 to 3M catalyzed by soluble iron (III), an iron (III)-ethylenediamine tetraacetic acid (EDTA) chelate, or naturally-occurring soil minerals. The destruction of total SOM in CHP systems was directly proportional to the hydrogen peroxide dosage, and was significantly greater at pH 3 than at neutral pH; furthermore, SOM destruction occurred predominantly in the NPOM fraction. At pH 3, SOM did not affect hydrogen peroxide decomposition rates or hydroxyl radical activity in CHP reactions. However, at neutral pH, increasing the mass of SOM decreased the hydrogen peroxide decomposition rate and increased the rate of hydroxyl radical generation in CHP systems. These results show that, while CHP reactions destroy some of the organic carbon pools, SOM does not have a significant effect on the CHP treatment of soils and groundwater.

  1. Acid-Catalyzed Preparation of Biodiesel from Waste Vegetable Oil: An Experiment for the Undergraduate Organic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Bladt, Don; Murray, Steve; Gitch, Brittany; Trout, Haylee; Liberko, Charles

    2011-01-01

    This undergraduate organic laboratory exercise involves the sulfuric acid-catalyzed conversion of waste vegetable oil into biodiesel. The acid-catalyzed method, although inherently slower than the base-catalyzed methods, does not suffer from the loss of product or the creation of emulsion producing soap that plagues the base-catalyzed methods when…

  2. A copyright protection scheme for digital images based on shuffled singular value decomposition and visual cryptography.

    PubMed

    Devi, B Pushpa; Singh, Kh Manglem; Roy, Sudipta

    2016-01-01

    This paper proposes a new watermarking algorithm based on the shuffled singular value decomposition and the visual cryptography for copyright protection of digital images. It generates the ownership and identification shares of the image based on visual cryptography. It decomposes the image into low and high frequency sub-bands. The low frequency sub-band is further divided into blocks of same size after shuffling it and then the singular value decomposition is applied to each randomly selected block. Shares are generated by comparing one of the elements in the first column of the left orthogonal matrix with its corresponding element in the right orthogonal matrix of the singular value decomposition of the block of the low frequency sub-band. The experimental results show that the proposed scheme clearly verifies the copyright of the digital images, and is robust to withstand several image processing attacks. Comparison with the other related visual cryptography-based algorithms reveals that the proposed method gives better performance. The proposed method is especially resilient against the rotation attack.

  3. Nonlinear mode decomposition: A noise-robust, adaptive decomposition method

    NASA Astrophysics Data System (ADS)

    Iatsenko, Dmytro; McClintock, Peter V. E.; Stefanovska, Aneta

    2015-09-01

    The signals emanating from complex systems are usually composed of a mixture of different oscillations which, for a reliable analysis, should be separated from each other and from the inevitable background of noise. Here we introduce an adaptive decomposition tool—nonlinear mode decomposition (NMD)—which decomposes a given signal into a set of physically meaningful oscillations for any wave form, simultaneously removing the noise. NMD is based on the powerful combination of time-frequency analysis techniques—which, together with the adaptive choice of their parameters, make it extremely noise robust—and surrogate data tests used to identify interdependent oscillations and to distinguish deterministic from random activity. We illustrate the application of NMD to both simulated and real signals and demonstrate its qualitative and quantitative superiority over other approaches, such as (ensemble) empirical mode decomposition, Karhunen-Loève expansion, and independent component analysis. We point out that NMD is likely to be applicable and useful in many different areas of research, such as geophysics, finance, and the life sciences. The necessary matlab codes for running NMD are freely available for download.

  4. Climate fails to predict wood decomposition at regional scales

    Treesearch

    Mark A. Bradford; Robert J. Warren; Petr Baldrian; Thomas W. Crowther; Daniel S. Maynard; Emily E. Oldfield; William R. Wieder; Stephen A. Wood; Joshua R. King

    2014-01-01

    Decomposition of organic matter strongly influences ecosystem carbon storage1. In Earth-system models, climate is a predominant control on the decomposition rates of organic matter2, 3, 4, 5. This assumption is based on the mean response of decomposition to climate, yet there is a growing appreciation in other areas of global change science that projections based on...

  5. Solid state green synthesis and catalytic activity of CuO nanorods in thermal decomposition of potassium periodate

    NASA Astrophysics Data System (ADS)

    Patel, Vinay Kumar; Bhattacharya, Shantanu

    2017-09-01

    The present study reports a facile solid state green synthesis process using the leaf extracts of Hibiscus rosa-sinensis to synthesize CuO nanorods with average diameters of 15-20 nm and lengths up to 100 nm. The as-synthesized CuO nanorods were characterized by x-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and selected area electron diffraction. The formation mechanism of CuO nanorods has been explained by involving the individual role of amide I (amino groups) and carboxylate groups under excess hydroxyl ions released from NaOH. The catalytic activity of CuO nanorods in thermal decomposition of potassium periodate microparticles (µ-KIO4) microparticles was studied by thermo gravimetric analysis measurement. The original size (~100 µm) of commercially procured potassium periodate was reduced to microscale length scale to about one-tenth by PEG200 assisted emulsion process. The CuO nanorods prepared by solid state green route were found to catalyze the thermal decomposition of µ-KIO4 with a reduction of 18 °C in the final thermal decomposition temperature of potassium periodate.

  6. Effects of magnesium-based hydrogen storage materials on the thermal decomposition, burning rate, and explosive heat of ammonium perchlorate-based composite solid propellant.

    PubMed

    Liu, Leili; Li, Jie; Zhang, Lingyao; Tian, Siyu

    2018-01-15

    MgH 2 , Mg 2 NiH 4 , and Mg 2 CuH 3 were prepared, and their structure and hydrogen storage properties were determined through X-ray photoelectron spectroscopy and thermal analyzer. The effects of MgH 2 , Mg 2 NiH 4 , and Mg 2 CuH 3 on the thermal decomposition, burning rate, and explosive heat of ammonium perchlorate-based composite solid propellant were subsequently studied. Results indicated that MgH 2 , Mg 2 NiH 4 , and Mg 2 CuH 3 can decrease the thermal decomposition peak temperature and increase the total released heat of decomposition. These compounds can improve the effect of thermal decomposition of the propellant. The burning rates of the propellant increased using Mg-based hydrogen storage materials as promoter. The burning rates of the propellant also increased using MgH 2 instead of Al in the propellant, but its explosive heat was not enlarged. Nonetheless, the combustion heat of MgH 2 was higher than that of Al. A possible mechanism was thus proposed. Copyright © 2017. Published by Elsevier B.V.

  7. FCDECOMP: decomposition of metabolic networks based on flux coupling relations.

    PubMed

    Rezvan, Abolfazl; Marashi, Sayed-Amir; Eslahchi, Changiz

    2014-10-01

    A metabolic network model provides a computational framework to study the metabolism of a cell at the system level. Due to their large sizes and complexity, rational decomposition of these networks into subsystems is a strategy to obtain better insight into the metabolic functions. Additionally, decomposing metabolic networks paves the way to use computational methods that will be otherwise very slow when run on the original genome-scale network. In the present study, we propose FCDECOMP decomposition method based on flux coupling relations (FCRs) between pairs of reaction fluxes. This approach utilizes a genetic algorithm (GA) to obtain subsystems that can be analyzed in isolation, i.e. without considering the reactions of the original network in the analysis. Therefore, we propose that our method is useful for discovering biologically meaningful modules in metabolic networks. As a case study, we show that when this method is applied to the metabolic networks of barley seeds and yeast, the modules are in good agreement with the biological compartments of these networks.

  8. Mindfulness-based hypnosis: blending science, beliefs, and wisdoms to catalyze healing.

    PubMed

    Alladin, Assen

    2014-01-01

    We live in a global village, comprised of people with diverse cultural and religious orientations. How do we integrate these different beliefs and values into our clinical practice? Mindfulness-based psychotherapy (MBP), an evidence-based psychological intervention, provides a secular template for assimilating various cultural beliefs and wisdoms in therapies. MBP represents a cross-fertilization between Western psychological practice and Eastern meditative disciplines. Guided by MBP, this article describes how intention, mindfulness, acceptance, gratitude, and the "heart" can be combined with cognitive hypnotherapy to catalyze healing of emotional disorders-particularly depression. This integrated approach is referred to as mindfulness-based cognitive hypnotherapy (MBCH) as it assimilates cognitive hypnotherapy with mindfulness strategies. MBCH represents an attempt to broaden the comprehensiveness of hypnotherapy as an integrated form of psychotherapy. Additionally, based on new understanding of the heart as a complex information center, an innovative hypnotherapeutic strategy for generating psychophysiological coherence and psychological well-being is described.

  9. A Novel Framework Based on FastICA for High Density Surface EMG Decomposition

    PubMed Central

    Chen, Maoqi; Zhou, Ping

    2015-01-01

    This study presents a progressive FastICA peel-off (PFP) framework for high density surface electromyogram (EMG) decomposition. The novel framework is based on a shift-invariant model for describing surface EMG. The decomposition process can be viewed as progressively expanding the set of motor unit spike trains, which is primarily based on FastICA. To overcome the local convergence of FastICA, a “peel off” strategy (i.e. removal of the estimated motor unit action potential (MUAP) trains from the previous step) is used to mitigate the effects of the already identified motor units, so more motor units can be extracted. Moreover, a constrained FastICA is applied to assess the extracted spike trains and correct possible erroneous or missed spikes. These procedures work together to improve the decomposition performance. The proposed framework was validated using simulated surface EMG signals with different motor unit numbers (30, 70, 91) and signal to noise ratios (SNRs) (20, 10, 0 dB). The results demonstrated relatively large numbers of extracted motor units and high accuracies (high F1-scores). The framework was also tested with 111 trials of 64-channel electrode array experimental surface EMG signals during the first dorsal interosseous (FDI) muscle contraction at different intensities. On average 14.1 ± 5.0 motor units were identified from each trial of experimental surface EMG signals. PMID:25775496

  10. Nonlinear QR code based optical image encryption using spiral phase transform, equal modulus decomposition and singular value decomposition

    NASA Astrophysics Data System (ADS)

    Kumar, Ravi; Bhaduri, Basanta; Nishchal, Naveen K.

    2018-01-01

    In this study, we propose a quick response (QR) code based nonlinear optical image encryption technique using spiral phase transform (SPT), equal modulus decomposition (EMD) and singular value decomposition (SVD). First, the primary image is converted into a QR code and then multiplied with a spiral phase mask (SPM). Next, the product is spiral phase transformed with particular spiral phase function, and further, the EMD is performed on the output of SPT, which results into two complex images, Z 1 and Z 2. Among these, Z 1 is further Fresnel propagated with distance d, and Z 2 is reserved as a decryption key. Afterwards, SVD is performed on Fresnel propagated output to get three decomposed matrices i.e. one diagonal matrix and two unitary matrices. The two unitary matrices are modulated with two different SPMs and then, the inverse SVD is performed using the diagonal matrix and modulated unitary matrices to get the final encrypted image. Numerical simulation results confirm the validity and effectiveness of the proposed technique. The proposed technique is robust against noise attack, specific attack, and brutal force attack. Simulation results are presented in support of the proposed idea.

  11. Neural image analysis for estimating aerobic and anaerobic decomposition of organic matter based on the example of straw decomposition

    NASA Astrophysics Data System (ADS)

    Boniecki, P.; Nowakowski, K.; Slosarz, P.; Dach, J.; Pilarski, K.

    2012-04-01

    The purpose of the project was to identify the degree of organic matter decomposition by means of a neural model based on graphical information derived from image analysis. Empirical data (photographs of compost content at various stages of maturation) were used to generate an optimal neural classifier (Boniecki et al. 2009, Nowakowski et al. 2009). The best classification properties were found in an RBF (Radial Basis Function) artificial neural network, which demonstrates that the process is non-linear.

  12. TE/TM decomposition of electromagnetic sources

    NASA Technical Reports Server (NTRS)

    Lindell, Ismo V.

    1988-01-01

    Three methods are given by which bounded EM sources can be decomposed into two parts radiating transverse electric (TE) and transverse magnetic (TM) fields with respect to a given constant direction in space. The theory applies source equivalence and nonradiating source concepts, which lead to decomposition methods based on a recursive formula or two differential equations for the determination of the TE and TM components of the original source. Decompositions for a dipole in terms of point, line, and plane sources are studied in detail. The planar decomposition is seen to match to an earlier result given by Clemmow (1963). As an application of the point decomposition method, it is demonstrated that the general exact image expression for the Sommerfeld half-space problem, previously derived through heuristic reasoning, can be more straightforwardly obtained through the present decomposition method.

  13. Decomposition mechanism of an artemisinin-type compound via hemin-electrocatalysis.

    PubMed

    Chen, H Y; Chen, Y; Zhu, S M; Bian, N S; Shan, F; Li, Y

    1999-01-01

    The interaction between a typical derivative of artemisinin and hemin was investigated by electrochemical and spectroelectrochemical methods. This derivative can be reduced via hemin-catalysis at the glassy carbon electrode, the cathodic overpotential is decreased by ca. 650 mV. A HPLC method for separating the products of the catalytic reaction was established. They were identified either in H(2)O-CH(3)CN solution or in tetrahydrofuran, respectively. The structures of these products show that the hemin-catalyzed decomposition of an artemisinin-type compound on the glassy carbon or reticulated vitreous carbon electrode can be achieved by both electrochemical reduction and rearrangement. The conclusion that the reaction of artemisinin with hemin is a critical step in the antimalarial mechanism of artemisinin can be drawn.

  14. On the hadron mass decomposition

    NASA Astrophysics Data System (ADS)

    Lorcé, Cédric

    2018-02-01

    We argue that the standard decompositions of the hadron mass overlook pressure effects, and hence should be interpreted with great care. Based on the semiclassical picture, we propose a new decomposition that properly accounts for these pressure effects. Because of Lorentz covariance, we stress that the hadron mass decomposition automatically comes along with a stability constraint, which we discuss for the first time. We show also that if a hadron is seen as made of quarks and gluons, one cannot decompose its mass into more than two contributions without running into trouble with the consistency of the physical interpretation. In particular, the so-called quark mass and trace anomaly contributions appear to be purely conventional. Based on the current phenomenological values, we find that in average quarks exert a repulsive force inside nucleons, balanced exactly by the gluon attractive force.

  15. Decomposition-Based Multiobjective Evolutionary Algorithm for Community Detection in Dynamic Social Networks

    PubMed Central

    Ma, Jingjing; Liu, Jie; Ma, Wenping; Gong, Maoguo; Jiao, Licheng

    2014-01-01

    Community structure is one of the most important properties in social networks. In dynamic networks, there are two conflicting criteria that need to be considered. One is the snapshot quality, which evaluates the quality of the community partitions at the current time step. The other is the temporal cost, which evaluates the difference between communities at different time steps. In this paper, we propose a decomposition-based multiobjective community detection algorithm to simultaneously optimize these two objectives to reveal community structure and its evolution in dynamic networks. It employs the framework of multiobjective evolutionary algorithm based on decomposition to simultaneously optimize the modularity and normalized mutual information, which quantitatively measure the quality of the community partitions and temporal cost, respectively. A local search strategy dealing with the problem-specific knowledge is incorporated to improve the effectiveness of the new algorithm. Experiments on computer-generated and real-world networks demonstrate that the proposed algorithm can not only find community structure and capture community evolution more accurately, but also be steadier than the two compared algorithms. PMID:24723806

  16. Decomposition-based multiobjective evolutionary algorithm for community detection in dynamic social networks.

    PubMed

    Ma, Jingjing; Liu, Jie; Ma, Wenping; Gong, Maoguo; Jiao, Licheng

    2014-01-01

    Community structure is one of the most important properties in social networks. In dynamic networks, there are two conflicting criteria that need to be considered. One is the snapshot quality, which evaluates the quality of the community partitions at the current time step. The other is the temporal cost, which evaluates the difference between communities at different time steps. In this paper, we propose a decomposition-based multiobjective community detection algorithm to simultaneously optimize these two objectives to reveal community structure and its evolution in dynamic networks. It employs the framework of multiobjective evolutionary algorithm based on decomposition to simultaneously optimize the modularity and normalized mutual information, which quantitatively measure the quality of the community partitions and temporal cost, respectively. A local search strategy dealing with the problem-specific knowledge is incorporated to improve the effectiveness of the new algorithm. Experiments on computer-generated and real-world networks demonstrate that the proposed algorithm can not only find community structure and capture community evolution more accurately, but also be steadier than the two compared algorithms.

  17. Pseudospectral reverse time migration based on wavefield decomposition

    NASA Astrophysics Data System (ADS)

    Du, Zengli; Liu, Jianjun; Xu, Feng; Li, Yongzhang

    2017-05-01

    The accuracy of seismic numerical simulations and the effectiveness of imaging conditions are important in reverse time migration studies. Using the pseudospectral method, the precision of the calculated spatial derivative of the seismic wavefield can be improved, increasing the vertical resolution of images. Low-frequency background noise, generated by the zero-lag cross-correlation of mismatched forward-propagated and backward-propagated wavefields at the impedance interfaces, can be eliminated effectively by using the imaging condition based on the wavefield decomposition technique. The computation complexity can be reduced when imaging is performed in the frequency domain. Since the Fourier transformation in the z-axis may be derived directly as one of the intermediate results of the spatial derivative calculation, the computation load of the wavefield decomposition can be reduced, improving the computation efficiency of imaging. Comparison of the results for a pulse response in a constant-velocity medium indicates that, compared with the finite difference method, the peak frequency of the Ricker wavelet can be increased by 10-15 Hz for avoiding spatial numerical dispersion, when the second-order spatial derivative of the seismic wavefield is obtained using the pseudospectral method. The results for the SEG/EAGE and Sigsbee2b models show that the signal-to-noise ratio of the profile and the imaging quality of the boundaries of the salt dome migrated using the pseudospectral method are better than those obtained using the finite difference method.

  18. Optimal domain decomposition strategies

    NASA Technical Reports Server (NTRS)

    Yoon, Yonghyun; Soni, Bharat K.

    1995-01-01

    The primary interest of the authors is in the area of grid generation, in particular, optimal domain decomposition about realistic configurations. A grid generation procedure with optimal blocking strategies has been developed to generate multi-block grids for a circular-to-rectangular transition duct. The focus of this study is the domain decomposition which optimizes solution algorithm/block compatibility based on geometrical complexities as well as the physical characteristics of flow field. The progress realized in this study is summarized in this paper.

  19. Constrained reduced-order models based on proper orthogonal decomposition

    DOE PAGES

    Reddy, Sohail R.; Freno, Brian Andrew; Cizmas, Paul G. A.; ...

    2017-04-09

    A novel approach is presented to constrain reduced-order models (ROM) based on proper orthogonal decomposition (POD). The Karush–Kuhn–Tucker (KKT) conditions were applied to the traditional reduced-order model to constrain the solution to user-defined bounds. The constrained reduced-order model (C-ROM) was applied and validated against the analytical solution to the first-order wave equation. C-ROM was also applied to the analysis of fluidized beds. Lastly, it was shown that the ROM and C-ROM produced accurate results and that C-ROM was less sensitive to error propagation through time than the ROM.

  20. Climate fails to predict wood decomposition at regional scales

    NASA Astrophysics Data System (ADS)

    Bradford, Mark A.; Warren, Robert J., II; Baldrian, Petr; Crowther, Thomas W.; Maynard, Daniel S.; Oldfield, Emily E.; Wieder, William R.; Wood, Stephen A.; King, Joshua R.

    2014-07-01

    Decomposition of organic matter strongly influences ecosystem carbon storage. In Earth-system models, climate is a predominant control on the decomposition rates of organic matter. This assumption is based on the mean response of decomposition to climate, yet there is a growing appreciation in other areas of global change science that projections based on mean responses can be irrelevant and misleading. We test whether climate controls on the decomposition rate of dead wood--a carbon stock estimated to represent 73 +/- 6 Pg carbon globally--are sensitive to the spatial scale from which they are inferred. We show that the common assumption that climate is a predominant control on decomposition is supported only when local-scale variation is aggregated into mean values. Disaggregated data instead reveal that local-scale factors explain 73% of the variation in wood decomposition, and climate only 28%. Further, the temperature sensitivity of decomposition estimated from local versus mean analyses is 1.3-times greater. Fundamental issues with mean correlations were highlighted decades ago, yet mean climate-decomposition relationships are used to generate simulations that inform management and adaptation under environmental change. Our results suggest that to predict accurately how decomposition will respond to climate change, models must account for local-scale factors that control regional dynamics.

  1. Hydrated electron based decomposition of perfluorooctane sulfonate (PFOS) in the VUV/sulfite system.

    PubMed

    Gu, Yurong; Liu, Tongzhou; Wang, Hongjie; Han, Huili; Dong, Wenyi

    2017-12-31

    As one of the most reactive species, hydrated electron (e aq - ) is promising for reductive decomposition of recalcitrant organic pollutants, such as perfluorooctane sulfonate (PFOS). In this study, PFOS decomposition using a vacuum ultraviolet (VUV)/sulfite system was systematically investigated in comparison with sole VUV and ultraviolet (UV)/sulfite systems. A fast and nearly complete (97.3%) PFOS decomposition was observed within 4h from its initial concentration of 37.2μM in the VUV/sulfite system. The observed rate constant (k obs ) for PFOS decomposition in the studied system was 0.87±0.0060h -1 , which was nearly 7.5 and 2 folds faster than that in sole VUV and UV/sulfite systems, respectively. Compared to previously studied UV/sulfite system, VUV/sulfite system enhanced PFOS decomposition in both weak acidic and alkaline pH conditions. In weak acidic condition (pH6.0), PFOS predominantly decomposed via direct VUV photolysis, whereas in alkaline condition (pH>9.0), PFOS decomposition was mainly induced by e aq - generated from both sulfite and VUV photolytic reactions. At a fixed initial solution pH (pH10.0), PFOS decomposition kinetics showed a positive linear dependence with sulfite dosage. The co-presence of humic acid (HA) and NO 3 - obviously suppressed PFOS decomposition, whereas HCO 3 - showed marginal inhibition. A few amount of short chain perfluorocarboxylic acids (PFCAs) were detected in PFOS decomposition process, and a high defluorination efficiency (75.4%) was achieved. These results suggested most fluorine atoms in PFOS molecule ultimately mineralized into fluoride ions, and the mechanisms for PFOS decomposition in the VUV/sulfite system were proposed. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Early stage litter decomposition across biomes

    Treesearch

    Ika Djukic; Sebastian Kepfer-Rojas; Inger Kappel Schmidt; Klaus Steenberg Larsen; Claus Beier; Björn Berg; Kris Verheyen; Adriano Caliman; Alain Paquette; Alba Gutiérrez-Girón; Alberto Humber; Alejandro Valdecantos; Alessandro Petraglia; Heather Alexander; Algirdas Augustaitis; Amélie Saillard; Ana Carolina Ruiz Fernández; Ana I. Sousa; Ana I. Lillebø; Anderson da Rocha Gripp; André-Jean Francez; Andrea Fischer; Andreas Bohner; Andrey Malyshev; Andrijana Andrić; Andy Smith; Angela Stanisci; Anikó Seres; Anja Schmidt; Anna Avila; Anne Probst; Annie Ouin; Anzar A. Khuroo; Arne Verstraeten; Arely N. Palabral-Aguilera; Artur Stefanski; Aurora Gaxiola; Bart Muys; Bernard Bosman; Bernd Ahrends; Bill Parker; Birgit Sattler; Bo Yang; Bohdan Juráni; Brigitta Erschbamer; Carmen Eugenia Rodriguez Ortiz; Casper T. Christiansen; E. Carol Adair; Céline Meredieu; Cendrine Mony; Charles A. Nock; Chi-Ling Chen; Chiao-Ping Wang; Christel Baum; Christian Rixen; Christine Delire; Christophe Piscart; Christopher Andrews; Corinna Rebmann; Cristina Branquinho; Dana Polyanskaya; David Fuentes Delgado; Dirk Wundram; Diyaa Radeideh; Eduardo Ordóñez-Regil; Edward Crawford; Elena Preda; Elena Tropina; Elli Groner; Eric Lucot; Erzsébet Hornung; Esperança Gacia; Esther Lévesque; Evanilde Benedito; Evgeny A. Davydov; Evy Ampoorter; Fabio Padilha Bolzan; Felipe Varela; Ferdinand Kristöfel; Fernando T. Maestre; Florence Maunoury-Danger; Florian Hofhansl; Florian Kitz; Flurin Sutter; Francisco Cuesta; Francisco de Almeida Lobo; Franco Leandro de Souza; Frank Berninger; Franz Zehetner; Georg Wohlfahrt; George Vourlitis; Geovana Carreño-Rocabado; Gina Arena; Gisele Daiane Pinha; Grizelle González; Guylaine Canut; Hanna Lee; Hans Verbeeck; Harald Auge; Harald Pauli; Hassan Bismarck Nacro; Héctor A. Bahamonde; Heike Feldhaar; Heinke Jäger; Helena C. Serrano; Hélène Verheyden; Helge Bruelheide; Henning Meesenburg; Hermann Jungkunst; Hervé Jactel; Hideaki Shibata; Hiroko Kurokawa; Hugo López Rosas; Hugo L. Rojas Villalobos; Ian Yesilonis; Inara Melece; Inge Van Halder; Inmaculada García Quirós; Isaac Makelele; Issaka Senou; István Fekete; Ivan Mihal; Ivika Ostonen; Jana Borovská; Javier Roales; Jawad Shoqeir; Jean-Christophe Lata; Jean-Paul Theurillat; Jean-Luc Probst; Jess Zimmerman; Jeyanny Vijayanathan; Jianwu Tang; Jill Thompson; Jiří Doležal; Joan-Albert Sanchez-Cabeza; Joël Merlet; Joh Henschel; Johan Neirynck; Johannes Knops; John Loehr; Jonathan von Oppen; Jónína Sigríður Þorláksdóttir; Jörg Löffler; José-Gilberto Cardoso-Mohedano; José-Luis Benito-Alonso; Jose Marcelo Torezan; Joseph C. Morina; Juan J. Jiménez; Juan Dario Quinde; Juha Alatalo; Julia Seeber; Jutta Stadler; Kaie Kriiska; Kalifa Coulibaly; Karibu Fukuzawa; Katalin Szlavecz; Katarína Gerhátová; Kate Lajtha; Kathrin Käppeler; Katie A. Jennings; Katja Tielbörger; Kazuhiko Hoshizaki; Ken Green; Lambiénou Yé; Laryssa Helena Ribeiro Pazianoto; Laura Dienstbach; Laura Williams; Laura Yahdjian; Laurel M. Brigham; Liesbeth van den Brink; Lindsey Rustad; al. et

    2018-01-01

    Through litter decomposition enormous amounts of carbon is emitted to the atmosphere. Numerous large-scale decomposition experiments have been conducted focusing on this fundamental soil process in order to understand the controls on the terrestrial carbon transfer to the atmosphere. However, previous studies were mostly based on site-specific litter and methodologies...

  3. In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-Based Metal Organic Frameworks

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Plonka, Anna M.; Wang, Qi; Gordon, Wesley O.

    Recently, Zr-based metal organic frameworks (MOFs) were shown to be among the fastest catalysts of nerve-agent hydrolysis in solution. Here, we report a detailed study of the adsorption and decomposition of a nerve-agent simulant, dimethyl methylphosphonate (DMMP), on UiO-66, UiO-67, MOF-808, and NU-1000 using synchrotron-based X-ray powder diffraction, X-ray absorption, and infrared spectroscopy, which reveals key aspects of the reaction mechanism. The diffraction measurements indicate that all four MOFs adsorb DMMP (introduced at atmospheric pressures through a flow of helium or air) within the pore space. In addition, the combination of X-ray absorption and infrared spectra suggests direct coordination ofmore » DMMP to the Zr6 cores of all MOFs, which ultimately leads to decomposition to phosphonate products. Our experimental probes into the mechanism of adsorption and decomposition of chemical warfare agent simulants on Zr-based MOFs open new opportunities in rational design of new and superior decontamination materials.« less

  4. In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-Based Metal Organic Frameworks

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Plonka, Anna M.; Wang, Qi; Gordon, Wesley O.

    Zr-based metal organic frameworks (MOFs) have been recently shown to be among the fastest catalysts of nerve-agent hydrolysis in solution. We report a detailed study of the adsorption and decomposition of a nerve-agent simulant, dimethyl methylphosphonate (DMMP), on UiO-66, UiO-67, MOF-808, and NU-1000 using synchrotron-based X-ray powder diffraction, X-ray absorption, and infrared spectroscopy, which reveals key aspects of the reaction mechanism. The diffraction measurements indicate that all four MOFs adsorb DMMP (introduced at atmospheric pressures through a flow of helium or air) within the pore space. In addition, the combination of X-ray absorption and infrared spectra suggests direct coordination ofmore » DMMP to the Zr6 cores of all MOFs, which ultimately leads to decomposition to phosphonate products. These experimental probes into the mechanism of adsorption and decomposition of chemical warfare agent simulants on Zr-based MOFs open new opportunities in rational design of new and superior decontamination materials.« less

  5. In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-Based Metal Organic Frameworks

    DOE PAGES

    Plonka, Anna M.; Wang, Qi; Gordon, Wesley O.; ...

    2016-12-30

    Recently, Zr-based metal organic frameworks (MOFs) were shown to be among the fastest catalysts of nerve-agent hydrolysis in solution. Here, we report a detailed study of the adsorption and decomposition of a nerve-agent simulant, dimethyl methylphosphonate (DMMP), on UiO-66, UiO-67, MOF-808, and NU-1000 using synchrotron-based X-ray powder diffraction, X-ray absorption, and infrared spectroscopy, which reveals key aspects of the reaction mechanism. The diffraction measurements indicate that all four MOFs adsorb DMMP (introduced at atmospheric pressures through a flow of helium or air) within the pore space. In addition, the combination of X-ray absorption and infrared spectra suggests direct coordination ofmore » DMMP to the Zr6 cores of all MOFs, which ultimately leads to decomposition to phosphonate products. Our experimental probes into the mechanism of adsorption and decomposition of chemical warfare agent simulants on Zr-based MOFs open new opportunities in rational design of new and superior decontamination materials.« less

  6. Aging-driven decomposition in zolpidem hemitartrate hemihydrate and the single-crystal structure of its decomposition products.

    PubMed

    Vega, Daniel R; Baggio, Ricardo; Roca, Mariana; Tombari, Dora

    2011-04-01

    The "aging-driven" decomposition of zolpidem hemitartrate hemihydrate (form A) has been followed by X-ray powder diffraction (XRPD), and the crystal and molecular structures of the decomposition products studied by single-crystal methods. The process is very similar to the "thermally driven" one, recently described in the literature for form E (Halasz and Dinnebier. 2010. J Pharm Sci 99(2): 871-874), resulting in a two-phase system: the neutral free base (common to both decomposition processes) and, in the present case, a novel zolpidem tartrate monohydrate, unique to the "aging-driven" decomposition. Our room-temperature single-crystal analysis gives for the free base comparable results as the high-temperature XRPD ones already reported by Halasz and Dinnebier: orthorhombic, Pcba, a = 9.6360(10) Å, b = 18.2690(5) Å, c = 18.4980(11) Å, and V = 3256.4(4) Å(3) . The unreported zolpidem tartrate monohydrate instead crystallizes in monoclinic P21 , which, for comparison purposes, we treated in the nonstandard setting P1121 with a = 20.7582(9) Å, b = 15.2331(5) Å, c = 7.2420(2) Å, γ = 90.826(2)°, and V = 2289.73(14) Å(3) . The structure presents two complete moieties in the asymmetric unit (z = 4, z' = 2). The different phases obtained in both decompositions are readily explained, considering the diverse genesis of both processes. Copyright © 2010 Wiley-Liss, Inc.

  7. An optimized time varying filtering based empirical mode decomposition method with grey wolf optimizer for machinery fault diagnosis

    NASA Astrophysics Data System (ADS)

    Zhang, Xin; Liu, Zhiwen; Miao, Qiang; Wang, Lei

    2018-03-01

    A time varying filtering based empirical mode decomposition (EMD) (TVF-EMD) method was proposed recently to solve the mode mixing problem of EMD method. Compared with the classical EMD, TVF-EMD was proven to improve the frequency separation performance and be robust to noise interference. However, the decomposition parameters (i.e., bandwidth threshold and B-spline order) significantly affect the decomposition results of this method. In original TVF-EMD method, the parameter values are assigned in advance, which makes it difficult to achieve satisfactory analysis results. To solve this problem, this paper develops an optimized TVF-EMD method based on grey wolf optimizer (GWO) algorithm for fault diagnosis of rotating machinery. Firstly, a measurement index termed weighted kurtosis index is constructed by using kurtosis index and correlation coefficient. Subsequently, the optimal TVF-EMD parameters that match with the input signal can be obtained by GWO algorithm using the maximum weighted kurtosis index as objective function. Finally, fault features can be extracted by analyzing the sensitive intrinsic mode function (IMF) owning the maximum weighted kurtosis index. Simulations and comparisons highlight the performance of TVF-EMD method for signal decomposition, and meanwhile verify the fact that bandwidth threshold and B-spline order are critical to the decomposition results. Two case studies on rotating machinery fault diagnosis demonstrate the effectiveness and advantages of the proposed method.

  8. Native conflict awared layout decomposition in triple patterning lithography using bin-based library matching method

    NASA Astrophysics Data System (ADS)

    Ke, Xianhua; Jiang, Hao; Lv, Wen; Liu, Shiyuan

    2016-03-01

    Triple patterning (TP) lithography becomes a feasible technology for manufacturing as the feature size further scale down to sub 14/10 nm. In TP, a layout is decomposed into three masks followed with exposures and etches/freezing processes respectively. Previous works mostly focus on layout decomposition with minimal conflicts and stitches simultaneously. However, since any existence of native conflict will result in layout re-design/modification and reperforming the time-consuming decomposition, the effective method that can be aware of native conflicts (NCs) in layout is desirable. In this paper, a bin-based library matching method is proposed for NCs detection and layout decomposition. First, a layout is divided into bins and the corresponding conflict graph in each bin is constructed. Then, we match the conflict graph in a prebuilt colored library, and as a result the NCs can be located and highlighted quickly.

  9. Through-wall image enhancement using fuzzy and QR decomposition.

    PubMed

    Riaz, Muhammad Mohsin; Ghafoor, Abdul

    2014-01-01

    QR decomposition and fuzzy logic based scheme is proposed for through-wall image enhancement. QR decomposition is less complex compared to singular value decomposition. Fuzzy inference engine assigns weights to different overlapping subspaces. Quantitative measures and visual inspection are used to analyze existing and proposed techniques.

  10. Domain Decomposition By the Advancing-Partition Method

    NASA Technical Reports Server (NTRS)

    Pirzadeh, Shahyar Z.

    2008-01-01

    A new method of domain decomposition has been developed for generating unstructured grids in subdomains either sequentially or using multiple computers in parallel. Domain decomposition is a crucial and challenging step for parallel grid generation. Prior methods are generally based on auxiliary, complex, and computationally intensive operations for defining partition interfaces and usually produce grids of lower quality than those generated in single domains. The new technique, referred to as "Advancing Partition," is based on the Advancing-Front method, which partitions a domain as part of the volume mesh generation in a consistent and "natural" way. The benefits of this approach are: 1) the process of domain decomposition is highly automated, 2) partitioning of domain does not compromise the quality of the generated grids, and 3) the computational overhead for domain decomposition is minimal. The new method has been implemented in NASA's unstructured grid generation code VGRID.

  11. MARS-MD: rejection based image domain material decomposition

    NASA Astrophysics Data System (ADS)

    Bateman, C. J.; Knight, D.; Brandwacht, B.; McMahon, J.; Healy, J.; Panta, R.; Aamir, R.; Rajendran, K.; Moghiseh, M.; Ramyar, M.; Rundle, D.; Bennett, J.; de Ruiter, N.; Smithies, D.; Bell, S. T.; Doesburg, R.; Chernoglazov, A.; Mandalika, V. B. H.; Walsh, M.; Shamshad, M.; Anjomrouz, M.; Atharifard, A.; Vanden Broeke, L.; Bheesette, S.; Kirkbride, T.; Anderson, N. G.; Gieseg, S. P.; Woodfield, T.; Renaud, P. F.; Butler, A. P. H.; Butler, P. H.

    2018-05-01

    This paper outlines image domain material decomposition algorithms that have been routinely used in MARS spectral CT systems. These algorithms (known collectively as MARS-MD) are based on a pragmatic heuristic for solving the under-determined problem where there are more materials than energy bins. This heuristic contains three parts: (1) splitting the problem into a number of possible sub-problems, each containing fewer materials; (2) solving each sub-problem; and (3) applying rejection criteria to eliminate all but one sub-problem's solution. An advantage of this process is that different constraints can be applied to each sub-problem if necessary. In addition, the result of this process is that solutions will be sparse in the material domain, which reduces crossover of signal between material images. Two algorithms based on this process are presented: the Segmentation variant, which uses segmented material classes to define each sub-problem; and the Angular Rejection variant, which defines the rejection criteria using the angle between reconstructed attenuation vectors.

  12. Metal-catalyzed Decarboxylative Fluoroalkylation Reactions.

    PubMed

    Ambler, Brett R; Yang, Ming-Hsiu; Altman, Ryan A

    2016-12-01

    Metal-catalyzed decarboxylative fluoroalkylation reactions enable the conversion of simple O-based substrates into biologically relevant fluorinated analogs. Herein, we present decarboxylative methods that facilitate the synthesis of trifluoromethyl- and difluoroketone-containing products. We highlight key mechanistic aspects that are critical for efficient catalysis, and that inspired our thinking while developing the reactions.

  13. A rechargeable hydrogen battery based on Ru catalysis.

    PubMed

    Hsu, Shih-Fan; Rommel, Susanne; Eversfield, Philipp; Muller, Keven; Klemm, Elias; Thiel, Werner R; Plietker, Bernd

    2014-07-01

    Apart from energy generation, the storage and liberation of energy are among the major problems in establishing a sustainable energy supply chain. Herein we report the development of a rechargeable H2 battery which is based on the principle of the Ru-catalyzed hydrogenation of CO2 to formic acid (charging process) and the Ru-catalyzed decomposition of formic acid to CO2 and H2 (discharging process). Both processes are driven by the same catalyst at elevated temperature either under pressure (charging process) or pressure-free conditions (discharging process). Up to five charging-discharging cycles were performed without decrease of storage capacity. The resulting CO2/H2 mixture is free of CO and can be employed directly in fuel-cell technology. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Neurocomputing strategies in decomposition based structural design

    NASA Technical Reports Server (NTRS)

    Szewczyk, Z.; Hajela, P.

    1993-01-01

    The present paper explores the applicability of neurocomputing strategies in decomposition based structural optimization problems. It is shown that the modeling capability of a backpropagation neural network can be used to detect weak couplings in a system, and to effectively decompose it into smaller, more tractable, subsystems. When such partitioning of a design space is possible, parallel optimization can be performed in each subsystem, with a penalty term added to its objective function to account for constraint violations in all other subsystems. Dependencies among subsystems are represented in terms of global design variables, and a neural network is used to map the relations between these variables and all subsystem constraints. A vector quantization technique, referred to as a z-Network, can effectively be used for this purpose. The approach is illustrated with applications to minimum weight sizing of truss structures with multiple design constraints.

  15. Problem decomposition by mutual information and force-based clustering

    NASA Astrophysics Data System (ADS)

    Otero, Richard Edward

    The scale of engineering problems has sharply increased over the last twenty years. Larger coupled systems, increasing complexity, and limited resources create a need for methods that automatically decompose problems into manageable sub-problems by discovering and leveraging problem structure. The ability to learn the coupling (inter-dependence) structure and reorganize the original problem could lead to large reductions in the time to analyze complex problems. Such decomposition methods could also provide engineering insight on the fundamental physics driving problem solution. This work forwards the current state of the art in engineering decomposition through the application of techniques originally developed within computer science and information theory. The work describes the current state of automatic problem decomposition in engineering and utilizes several promising ideas to advance the state of the practice. Mutual information is a novel metric for data dependence and works on both continuous and discrete data. Mutual information can measure both the linear and non-linear dependence between variables without the limitations of linear dependence measured through covariance. Mutual information is also able to handle data that does not have derivative information, unlike other metrics that require it. The value of mutual information to engineering design work is demonstrated on a planetary entry problem. This study utilizes a novel tool developed in this work for planetary entry system synthesis. A graphical method, force-based clustering, is used to discover related sub-graph structure as a function of problem structure and links ranked by their mutual information. This method does not require the stochastic use of neural networks and could be used with any link ranking method currently utilized in the field. Application of this method is demonstrated on a large, coupled low-thrust trajectory problem. Mutual information also serves as the basis for an

  16. Dual chemistry catalyzed by human acireductone dioxygenase

    PubMed Central

    Deshpande, Aditi R.; Pochapsky, Thomas C.; Petsko, Gregory A.

    2017-01-01

    Abstract Acireductone dioxygenase (ARD) from the methionine salvage pathway of Klebsiella oxytoca is the only known naturally occurring metalloenzyme that catalyzes different reactions in vivo based solely on the identity of the divalent transition metal ion (Fe2+ or Ni2+) bound in the active site. The iron-containing isozyme catalyzes the cleavage of substrate 1,2-dihydroxy-3-keto-5-(thiomethyl)pent-1-ene (acireductone) by O2 to formate and the ketoacid precursor of methionine, whereas the nickel-containing isozyme uses the same substrates to catalyze an off-pathway shunt to form methylthiopropionate, carbon monoxide and formate. This dual chemistry was recently demonstrated in vitro by ARD from Mus musculus (MmARD), providing the first example of a mammalian ARD exhibiting metal-dependent catalysis. We now show that human ARD (HsARD) is also capable of metal-dependent dual chemistry. Recombinant HsARD was expressed and purified to obtain a homogeneous enzyme with a single transition metal ion bound. As with MmARD, the Fe2+-bound HsARD shows the highest activity and catalyzes on-pathway chemistry, whereas Ni2+, Co2+ or Mn2+ forms catalyze off-pathway chemistry. The thermal stability of the HsARD isozymes is a function of the metal ion identity, with Ni2+-bound HsARD being the most stable followed by Co2+ and Fe2+, and Mn2+-bound HsARD being the least stable. As with the bacterial ARD, solution NMR data suggest that HsARD isozymes can have significant structural differences depending upon the metal ion bound. PMID:28062648

  17. Understanding Self-Catalyzed Epitaxial Growth of III-V Nanowires toward Controlled Synthesis.

    PubMed

    Zi, Yunlong; Suslov, Sergey; Yang, Chen

    2017-02-08

    The self-catalyzed growth of III-V nanowires has drawn plenty of attention due to the potential of integration in current Si-based technologies. The homoparticle-assisted vapor-liquid-solid growth mechanism has been demonstrated for self-catalyzed III-V nanowire growth. However, the understandings of the preferred growth sites of these nanowires are still limited, which obstructs the controlled synthesis and the applications of self-catalyzed nanowire arrays. Here, we experimentally demonstrated that thermally created pits could serve as the preferred sites for self-catalyzed InAs nanowire growth. On that basis, we performed a pregrowth annealing strategy to promote the nanowire density by enhancing the pits formation on the substrate surface and enable the nanowire growth on the substrate that was not capable to facilitate the growth. The discovery of the preferred self-catalyzed nanowire growth sites and the pregrowth annealing strategy have shown great potentials for controlled self-catalyzed III-V nanowire array growth with preferred locations and density.

  18. Joint detection and tracking of size-varying infrared targets based on block-wise sparse decomposition

    NASA Astrophysics Data System (ADS)

    Li, Miao; Lin, Zaiping; Long, Yunli; An, Wei; Zhou, Yiyu

    2016-05-01

    The high variability of target size makes small target detection in Infrared Search and Track (IRST) a challenging task. A joint detection and tracking method based on block-wise sparse decomposition is proposed to address this problem. For detection, the infrared image is divided into overlapped blocks, and each block is weighted on the local image complexity and target existence probabilities. Target-background decomposition is solved by block-wise inexact augmented Lagrange multipliers. For tracking, label multi-Bernoulli (LMB) tracker tracks multiple targets taking the result of single-frame detection as input, and provides corresponding target existence probabilities for detection. Unlike fixed-size methods, the proposed method can accommodate size-varying targets, due to no special assumption for the size and shape of small targets. Because of exact decomposition, classical target measurements are extended and additional direction information is provided to improve tracking performance. The experimental results show that the proposed method can effectively suppress background clutters, detect and track size-varying targets in infrared images.

  19. Caffeine-catalyzed gels.

    PubMed

    DiCiccio, Angela M; Lee, Young-Ah Lucy; Glettig, Dean L; Walton, Elizabeth S E; de la Serna, Eva L; Montgomery, Veronica A; Grant, Tyler M; Langer, Robert; Traverso, Giovanni

    2018-07-01

    Covalently cross-linked gels are utilized in a broad range of biomedical applications though their synthesis often compromises easy implementation. Cross-linking reactions commonly utilize catalysts or conditions that can damage biologics and sensitive compounds, producing materials that require extensive post processing to achieve acceptable biocompatibility. As an alternative, we report a batch synthesis platform to produce covalently cross-linked materials appropriate for direct biomedical application enabled by green chemistry and commonly available food grade ingredients. Using caffeine, a mild base, to catalyze anhydrous carboxylate ring-opening of diglycidyl-ether functionalized monomers with citric acid as a tri-functional crosslinking agent we introduce a novel poly(ester-ether) gel synthesis platform. We demonstrate that biocompatible Caffeine Catalyzed Gels (CCGs) exhibit dynamic physical, chemical, and mechanical properties, which can be tailored in shape, surface texture, solvent response, cargo release, shear and tensile strength, among other potential attributes. The demonstrated versatility, low cost and facile synthesis of these CCGs renders them appropriate for a broad range of customized engineering applications including drug delivery constructs, tissue engineering scaffolds, and medical devices. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

  20. Thermal Decomposition Behavior of Hydroxytyrosol (HT) in Nitrogen Atmosphere Based on TG-FTIR Methods.

    PubMed

    Tu, Jun-Ling; Yuan, Jiao-Jiao

    2018-02-13

    The thermal decomposition behavior of olive hydroxytyrosol (HT) was first studied using thermogravimetry (TG). Cracked chemical bond and evolved gas analysis during the thermal decomposition process of HT were also investigated using thermogravimetry coupled with infrared spectroscopy (TG-FTIR). Thermogravimetry-Differential thermogravimetry (TG-DTG) curves revealed that the thermal decomposition of HT began at 262.8 °C and ended at 409.7 °C with a main mass loss. It was demonstrated that a high heating rate (over 20 K·min -1 ) restrained the thermal decomposition of HT, resulting in an obvious thermal hysteresis. Furthermore, a thermal decomposition kinetics investigation of HT indicated that the non-isothermal decomposition mechanism was one-dimensional diffusion (D1), integral form g ( x ) = x ², and differential form f ( x ) = 1/(2 x ). The four combined approaches were employed to calculate the activation energy ( E = 128.50 kJ·mol -1 ) and Arrhenius preexponential factor (ln A = 24.39 min -1 ). In addition, a tentative mechanism of HT thermal decomposition was further developed. The results provide a theoretical reference for the potential thermal stability of HT.

  1. A quantum chemical study of the decomposition of Keggin-structured heteropolyacids.

    PubMed

    Janik, Michael J; Bardin, Billy B; Davis, Robert J; Neurock, Matthew

    2006-03-09

    Heterpolyacids (HPAs) demonstrate catalytic activity for oxidative and acid-catalyzed hydrocarbon conversion processes. Deactivation and thermal instability, however, have prevented their widespread use. Herein, ab initio density functional theory is used to study the thermal decomposition of the Keggin molecular HPA structure through the desorption of constitutional water molecules. The overall reaction energy and activation barrier are computed for the overall reaction HnXM12O40-->Hn-2XM12O39+H2O. and subsequently used to predict the effect of HPA composition on thermal stability. For example, the desorption of a constitutional water molecule is found to be increasingly endothermic in the order silicomolybdic acid (H4SiMo12O40)decomposition into a bulk mixed oxide. The equilibrium concentration of defective Keggin units is determined as a function of temperature and water partial pressure. It is concluded that the loss of constitutional water molecules is a plausible deactivation mechanism of the acid catalyst. The intermediate structures along the decomposition path are proposed as possible active sites for oxidation catalysis. The results presented herein provide molecular level insight into the dynamic nature of the heteropolyacid catalyst structure.

  2. The Speech multi features fusion perceptual hash algorithm based on tensor decomposition

    NASA Astrophysics Data System (ADS)

    Huang, Y. B.; Fan, M. H.; Zhang, Q. Y.

    2018-03-01

    With constant progress in modern speech communication technologies, the speech data is prone to be attacked by the noise or maliciously tampered. In order to make the speech perception hash algorithm has strong robustness and high efficiency, this paper put forward a speech perception hash algorithm based on the tensor decomposition and multi features is proposed. This algorithm analyses the speech perception feature acquires each speech component wavelet packet decomposition. LPCC, LSP and ISP feature of each speech component are extracted to constitute the speech feature tensor. Speech authentication is done by generating the hash values through feature matrix quantification which use mid-value. Experimental results showing that the proposed algorithm is robust for content to maintain operations compared with similar algorithms. It is able to resist the attack of the common background noise. Also, the algorithm is highly efficiency in terms of arithmetic, and is able to meet the real-time requirements of speech communication and complete the speech authentication quickly.

  3. Photocatalytic activity of silicon-based nanoflakes for the decomposition of nitrogen monoxide.

    PubMed

    Itahara, Hiroshi; Wu, Xiaoyong; Imagawa, Haruo; Yin, Shu; Kojima, Kazunobu; Chichibu, Shigefusa F; Sato, Tsugio

    2017-07-04

    The photocatalytic decomposition of nitrogen monoxide (NO) was achieved for the first time using Si-based nanomaterials. Nanocomposite powders composed of Si nanoflakes and metallic particles (Ni and Ni 3 Si) were synthesized using a simple one-pot reaction of layered CaSi 2 and NiCl 2 . The synthesized nanocomposites have a wide optical absorption band from the visible to the ultraviolet. Under the assumption of a direct transition, the photoabsorption behavior is well described and an absorption edge of ca. 1.8 eV is indicated. Conventional Si and SiO powders with indirect absorption edges of 1.1 and 1.4 eV, respectively, exhibit considerably low photocatalytic activities for NO decomposition. In contrast, the synthesized nanocomposites exhibited photocatalytic activities under irradiation with light at wavelengths >290 nm (<4.28 eV). The photocatalytic activities of the nanocomposites were confirmed to be constant and did not degrade with the light irradiation time.

  4. Decomposition

    USGS Publications Warehouse

    Middleton, Beth A.

    2014-01-01

    A cornerstone of ecosystem ecology, decomposition was recognized as a fundamental process driving the exchange of energy in ecosystems by early ecologists such as Lindeman 1942 and Odum 1960). In the history of ecology, studies of decomposition were incorporated into the International Biological Program in the 1960s to compare the nature of organic matter breakdown in various ecosystem types. Such studies still have an important role in ecological studies of today. More recent refinements have brought debates on the relative role microbes, invertebrates and environment in the breakdown and release of carbon into the atmosphere, as well as how nutrient cycling, production and other ecosystem processes regulated by decomposition may shift with climate change. Therefore, this bibliography examines the primary literature related to organic matter breakdown, but it also explores topics in which decomposition plays a key supporting role including vegetation composition, latitudinal gradients, altered ecosystems, anthropogenic impacts, carbon storage, and climate change models. Knowledge of these topics is relevant to both the study of ecosystem ecology as well projections of future conditions for human societies.

  5. Decomposition techniques

    USGS Publications Warehouse

    Chao, T.T.; Sanzolone, R.F.

    1992-01-01

    Sample decomposition is a fundamental and integral step in the procedure of geochemical analysis. It is often the limiting factor to sample throughput, especially with the recent application of the fast and modern multi-element measurement instrumentation. The complexity of geological materials makes it necessary to choose the sample decomposition technique that is compatible with the specific objective of the analysis. When selecting a decomposition technique, consideration should be given to the chemical and mineralogical characteristics of the sample, elements to be determined, precision and accuracy requirements, sample throughput, technical capability of personnel, and time constraints. This paper addresses these concerns and discusses the attributes and limitations of many techniques of sample decomposition along with examples of their application to geochemical analysis. The chemical properties of reagents as to their function as decomposition agents are also reviewed. The section on acid dissolution techniques addresses the various inorganic acids that are used individually or in combination in both open and closed systems. Fluxes used in sample fusion are discussed. The promising microwave-oven technology and the emerging field of automation are also examined. A section on applications highlights the use of decomposition techniques for the determination of Au, platinum group elements (PGEs), Hg, U, hydride-forming elements, rare earth elements (REEs), and multi-elements in geological materials. Partial dissolution techniques used for geochemical exploration which have been treated in detail elsewhere are not discussed here; nor are fire-assaying for noble metals and decomposition techniques for X-ray fluorescence or nuclear methods be discussed. ?? 1992.

  6. Distributed Damage Estimation for Prognostics based on Structural Model Decomposition

    NASA Technical Reports Server (NTRS)

    Daigle, Matthew; Bregon, Anibal; Roychoudhury, Indranil

    2011-01-01

    Model-based prognostics approaches capture system knowledge in the form of physics-based models of components, and how they fail. These methods consist of a damage estimation phase, in which the health state of a component is estimated, and a prediction phase, in which the health state is projected forward in time to determine end of life. However, the damage estimation problem is often multi-dimensional and computationally intensive. We propose a model decomposition approach adapted from the diagnosis community, called possible conflicts, in order to both improve the computational efficiency of damage estimation, and formulate a damage estimation approach that is inherently distributed. Local state estimates are combined into a global state estimate from which prediction is performed. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments to demonstrate the approach.

  7. Palladium-Catalyzed Arylation of Fluoroalkylamines

    PubMed Central

    Brusoe, Andrew T.; Hartwig, John F.

    2015-01-01

    We report the synthesis of fluorinated anilines by palladium-catalyzed coupling of fluoroalkylamines with aryl bromides and aryl chlorides. The products of these reactions are valuable because anilines typically require the presence of an electron-withdrawing substituent on nitrogen to suppress aerobic or metabolic oxidation, and the fluoroalkyl groups have steric properties and polarity distinct from those of more common electron-withdrawing amide and sulfonamide units. The fluoroalkylaniline products are unstable under typical conditions for C–N coupling reactions (heat and strong base). However, the reactions conducted with the weaker base KOPh, which has rarely been used in cross-coupling to form C–N bonds, occurred in high yield in the presence of a catalyst derived from commercially available AdBippyPhos and [Pd(allyl)Cl]2. Under these conditions, the reactions occur with low catalyst loadings (<0.50 mol % for most substrates) and tolerate the presence of various functional groups that react with the strong bases that are typically used in Pd-catalyzed C–N cross-coupling reactions of aryl halides. The resting state of the catalyst is the phenoxide complex, (BippyPhosPd(Ar)OPh); due to the electron-withdrawing property of the fluoroalkyl substituent, the turnover-limiting step of the reaction is reductive elimination to form the C–N bond. PMID:26065341

  8. Enhancing Catalyzed Decomposition of Na2CO3 with Co2MnO x Nanowire-Decorated Carbon Fibers for Advanced Na-CO2 Batteries.

    PubMed

    Fang, Cong; Luo, Jianmin; Jin, Chengbin; Yuan, Huadong; Sheng, Ouwei; Huang, Hui; Gan, Yongping; Xia, Yang; Liang, Chu; Zhang, Jun; Zhang, Wenkui; Tao, Xinyong

    2018-05-23

    The metal-CO 2 batteries, especially Na-CO 2 , batteries come into sight owing to their high energy density, ability for CO 2 capture, and the abundance of sodium resource. Besides the sluggish electrochemical reactions at the gas cathodes and the instability of the electrolyte at a high voltage, the final discharge product Na 2 CO 3 is a solid and poor conductor of electricity, which may cause the high overpotential and poor cycle performance for the Na-CO 2 batteries. The promotion of decomposition of Na 2 CO 3 should be an efficient strategy to enhance the electrochemical performance. Here, we design a facile Na 2 CO 3 activation experiment to screen the efficient cathode catalyst for the Na-CO 2 batteries. It is found that the Co 2 MnO x nanowire-decorated carbon fibers (CMO@CF) can promote the Na 2 CO 3 decomposition at the lowest voltage among all these metal oxide-decorated carbon fiber structures. After assembling the Na-CO 2 batteries, the electrodes based on CMO@CF show lower overpotential and better cycling performance compared with the electrodes based on pristine carbon fibers and other metal oxide-modified carbon fibers. We believe this catalyst screening method and the freestanding structure of the CMO@CF electrode may provide an important reference for the development of advanced Na-CO 2 batteries.

  9. An optimization approach for fitting canonical tensor decompositions.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dunlavy, Daniel M.; Acar, Evrim; Kolda, Tamara Gibson

    Tensor decompositions are higher-order analogues of matrix decompositions and have proven to be powerful tools for data analysis. In particular, we are interested in the canonical tensor decomposition, otherwise known as the CANDECOMP/PARAFAC decomposition (CPD), which expresses a tensor as the sum of component rank-one tensors and is used in a multitude of applications such as chemometrics, signal processing, neuroscience, and web analysis. The task of computing the CPD, however, can be difficult. The typical approach is based on alternating least squares (ALS) optimization, which can be remarkably fast but is not very accurate. Previously, nonlinear least squares (NLS) methodsmore » have also been recommended; existing NLS methods are accurate but slow. In this paper, we propose the use of gradient-based optimization methods. We discuss the mathematical calculation of the derivatives and further show that they can be computed efficiently, at the same cost as one iteration of ALS. Computational experiments demonstrate that the gradient-based optimization methods are much more accurate than ALS and orders of magnitude faster than NLS.« less

  10. Progress of Chiral Schiff Bases with C1 Symmetry in Metal-Catalyzed Asymmetric Reactions.

    PubMed

    Hayashi, Masahiko

    2016-12-01

    In this Personal Account, various chiral Schiff base-metal-catalyzed enantioselective organic reactions are reported; the Schiff bases used were O,N,O- as well as N,N,P-tridentate ligands and N,N-bidentate ligands having C 1 symmetry. In particular, the enantioselective addition of trimethylsilyl cyanide, dialkylzinc, and organozinc halides to aldehydes, enantioselective 1,4-addition of dialkylzinc to cyclic and acyclic enones, and asymmetric allylic oxidation are reported. Typically, ketimine-type Schiff base-metal complexes exhibited higher reactivity and enantioselectivity compared with the corresponding aldimine-type Schiff base-metal complexes. Notably, remarkable ligand acceleration was observed for all reactions. The obtained products can be used as key intermediates for optically active natural products and pharmaceuticals. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Two Dimensional Finite Element Based Magnetotelluric Inversion using Singular Value Decomposition Method on Transverse Electric Mode

    NASA Astrophysics Data System (ADS)

    Tjong, Tiffany; Yihaa’ Roodhiyah, Lisa; Nurhasan; Sutarno, Doddy

    2018-04-01

    In this work, an inversion scheme was performed using a vector finite element (VFE) based 2-D magnetotelluric (MT) forward modelling. We use an inversion scheme with Singular value decomposition (SVD) method toimprove the accuracy of MT inversion.The inversion scheme was applied to transverse electric (TE) mode of MT. SVD method was used in this inversion to decompose the Jacobian matrices. Singular values which obtained from the decomposition process were analyzed. This enabled us to determine the importance of data and therefore to define a threshold for truncation process. The truncation of singular value in inversion processcould improve the resulted model.

  12. Existence of efficient divalent metal ion-catalyzed and inefficient divalent metal ion-independent channels in reactions catalyzed by a hammerhead ribozyme

    PubMed Central

    Zhou, Jing-Min; Zhou, De-Min; Takagi, Yasuomi; Kasai, Yasuhiro; Inoue, Atsushi; Baba, Tadashi; Taira, Kazunari

    2002-01-01

    The hammerhead ribozyme is generally accepted as a well characterized metalloenzyme. However, the precise nature of the interactions of the RNA with metal ions remains to be fully defined. Examination of metal ion-catalyzed hammerhead reactions at limited concentrations of metal ions is useful for evaluation of the role of metal ions, as demonstrated in this study. At concentrations of Mn2+ ions from 0.3 to 3 mM, addition of the ribozyme to the reaction mixture under single-turnover conditions enhances the reaction with the product reaching a fixed maximum level. Further addition of the ribozyme inhibits the reaction, demonstrating that a certain number of divalent metal ions is required for proper folding and also for catalysis. At extremely high concentrations, monovalent ions, such as Na+ ions, can also serve as cofactors in hammerhead ribozyme-catalyzed reactions. However, the catalytic efficiency of monovalent ions is extremely low and, thus, high concentrations are required. Furthermore, addition of monovalent ions to divalent metal ion-catalyzed hammerhead reactions inhibits the divalent metal ion-catalyzed reactions, suggesting that the more desirable divalent metal ion–ribozyme complexes are converted to less desirable monovalent metal ion–ribozyme complexes via removal of divalent metal ions, which serve as a structural support in the ribozyme complex. Even though two channels appear to exist, namely an efficient divalent metal ion-catalyzed channel and an inefficient monovalent metal ion-catalyzed channel, it is clear that, under physiological conditions, hammerhead ribozymes are metalloenzymes that act via the significantly more efficient divalent metal ion-dependent channel. Moreover, the observed kinetic data are consistent with Lilley’s and DeRose’s two-phase folding model that was based on ground state structure analyses. PMID:12034824

  13. Wavelet decomposition based principal component analysis for face recognition using MATLAB

    NASA Astrophysics Data System (ADS)

    Sharma, Mahesh Kumar; Sharma, Shashikant; Leeprechanon, Nopbhorn; Ranjan, Aashish

    2016-03-01

    For the realization of face recognition systems in the static as well as in the real time frame, algorithms such as principal component analysis, independent component analysis, linear discriminate analysis, neural networks and genetic algorithms are used for decades. This paper discusses an approach which is a wavelet decomposition based principal component analysis for face recognition. Principal component analysis is chosen over other algorithms due to its relative simplicity, efficiency, and robustness features. The term face recognition stands for identifying a person from his facial gestures and having resemblance with factor analysis in some sense, i.e. extraction of the principal component of an image. Principal component analysis is subjected to some drawbacks, mainly the poor discriminatory power and the large computational load in finding eigenvectors, in particular. These drawbacks can be greatly reduced by combining both wavelet transform decomposition for feature extraction and principal component analysis for pattern representation and classification together, by analyzing the facial gestures into space and time domain, where, frequency and time are used interchangeably. From the experimental results, it is envisaged that this face recognition method has made a significant percentage improvement in recognition rate as well as having a better computational efficiency.

  14. CT Image Sequence Restoration Based on Sparse and Low-Rank Decomposition

    PubMed Central

    Gou, Shuiping; Wang, Yueyue; Wang, Zhilong; Peng, Yong; Zhang, Xiaopeng; Jiao, Licheng; Wu, Jianshe

    2013-01-01

    Blurry organ boundaries and soft tissue structures present a major challenge in biomedical image restoration. In this paper, we propose a low-rank decomposition-based method for computed tomography (CT) image sequence restoration, where the CT image sequence is decomposed into a sparse component and a low-rank component. A new point spread function of Weiner filter is employed to efficiently remove blur in the sparse component; a wiener filtering with the Gaussian PSF is used to recover the average image of the low-rank component. And then we get the recovered CT image sequence by combining the recovery low-rank image with all recovery sparse image sequence. Our method achieves restoration results with higher contrast, sharper organ boundaries and richer soft tissue structure information, compared with existing CT image restoration methods. The robustness of our method was assessed with numerical experiments using three different low-rank models: Robust Principle Component Analysis (RPCA), Linearized Alternating Direction Method with Adaptive Penalty (LADMAP) and Go Decomposition (GoDec). Experimental results demonstrated that the RPCA model was the most suitable for the small noise CT images whereas the GoDec model was the best for the large noisy CT images. PMID:24023764

  15. Computationally Efficient Adaptive Beamformer for Ultrasound Imaging Based on QR Decomposition.

    PubMed

    Park, Jongin; Wi, Seok-Min; Lee, Jin S

    2016-02-01

    Adaptive beamforming methods for ultrasound imaging have been studied to improve image resolution and contrast. The most common approach is the minimum variance (MV) beamformer which minimizes the power of the beamformed output while maintaining the response from the direction of interest constant. The method achieves higher resolution and better contrast than the delay-and-sum (DAS) beamformer, but it suffers from high computational cost. This cost is mainly due to the computation of the spatial covariance matrix and its inverse, which requires O(L(3)) computations, where L denotes the subarray size. In this study, we propose a computationally efficient MV beamformer based on QR decomposition. The idea behind our approach is to transform the spatial covariance matrix to be a scalar matrix σI and we subsequently obtain the apodization weights and the beamformed output without computing the matrix inverse. To do that, QR decomposition algorithm is used and also can be executed at low cost, and therefore, the computational complexity is reduced to O(L(2)). In addition, our approach is mathematically equivalent to the conventional MV beamformer, thereby showing the equivalent performances. The simulation and experimental results support the validity of our approach.

  16. A Perturbation Based Decomposition of Compound-Evoked Potentials for Characterization of Nerve Fiber Size Distributions.

    PubMed

    Szlavik, Robert B

    2016-02-01

    The characterization of peripheral nerve fiber distributions, in terms of diameter or velocity, is of clinical significance because information associated with these distributions can be utilized in the differential diagnosis of peripheral neuropathies. Electro-diagnostic techniques can be applied to the investigation of peripheral neuropathies and can yield valuable diagnostic information while being minimally invasive. Nerve conduction velocity studies are single parameter tests that yield no detailed information regarding the characteristics of the population of nerve fibers that contribute to the compound-evoked potential. Decomposition of the compound-evoked potential, such that the velocity or diameter distribution of the contributing nerve fibers may be determined, is necessary if information regarding the population of contributing nerve fibers is to be ascertained from the electro-diagnostic study. In this work, a perturbation-based decomposition of compound-evoked potentials is proposed that facilitates determination of the fiber diameter distribution associated with the compound-evoked potential. The decomposition is based on representing the single fiber-evoked potential, associated with each diameter class, as being perturbed by contributions, of varying degree, from all the other diameter class single fiber-evoked potentials. The resultant estimator of the contributing nerve fiber diameter distribution is valid for relatively large separations in diameter classes. It is also useful in situations where the separation between diameter classes is small and the concomitant single fiber-evoked potentials are not orthogonal.

  17. Horseradish-Peroxidase-Catalyzed Tyrosine Click Reaction.

    PubMed

    Sato, Shinichi; Nakamura, Kosuke; Nakamura, Hiroyuki

    2017-03-02

    The efficiency of protein chemical modification on tyrosine residues with N-methylluminol derivatives was drastically improved by using horseradish peroxidase (HRP). In the previous method, based on the use of hemin and H 2 O 2 , oxidative side reactions such as cysteine oxidation were problematic for functionalization of proteins selectively on tyrosine residues. Oxidative activation of N-methylluminol derivatives with a minimum amount of H 2 O 2 prevented the occurrence of oxidative side reactions under HRP-catalyzed conditions. As probes for HRP-catalyzed protein modification, N-methylluminol derivatives showed much higher efficiency than tyramide without inducing oligomerization of probe molecules. Tyrosine modification also proceeded in the presence of β-nicotinamide adenine dinucleotide (NADH, H 2 O 2 -free conditions). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. A new multivariate empirical mode decomposition method for improving the performance of SSVEP-based brain-computer interface

    NASA Astrophysics Data System (ADS)

    Chen, Yi-Feng; Atal, Kiran; Xie, Sheng-Quan; Liu, Quan

    2017-08-01

    Objective. Accurate and efficient detection of steady-state visual evoked potentials (SSVEP) in electroencephalogram (EEG) is essential for the related brain-computer interface (BCI) applications. Approach. Although the canonical correlation analysis (CCA) has been applied extensively and successfully to SSVEP recognition, the spontaneous EEG activities and artifacts that often occur during data recording can deteriorate the recognition performance. Therefore, it is meaningful to extract a few frequency sub-bands of interest to avoid or reduce the influence of unrelated brain activity and artifacts. This paper presents an improved method to detect the frequency component associated with SSVEP using multivariate empirical mode decomposition (MEMD) and CCA (MEMD-CCA). EEG signals from nine healthy volunteers were recorded to evaluate the performance of the proposed method for SSVEP recognition. Main results. We compared our method with CCA and temporally local multivariate synchronization index (TMSI). The results suggest that the MEMD-CCA achieved significantly higher accuracy in contrast to standard CCA and TMSI. It gave the improvements of 1.34%, 3.11%, 3.33%, 10.45%, 15.78%, 18.45%, 15.00% and 14.22% on average over CCA at time windows from 0.5 s to 5 s and 0.55%, 1.56%, 7.78%, 14.67%, 13.67%, 7.33% and 7.78% over TMSI from 0.75 s to 5 s. The method outperformed the filter-based decomposition (FB), empirical mode decomposition (EMD) and wavelet decomposition (WT) based CCA for SSVEP recognition. Significance. The results demonstrate the ability of our proposed MEMD-CCA to improve the performance of SSVEP-based BCI.

  19. A novel hybrid decomposition-and-ensemble model based on CEEMD and GWO for short-term PM2.5 concentration forecasting

    NASA Astrophysics Data System (ADS)

    Niu, Mingfei; Wang, Yufang; Sun, Shaolong; Li, Yongwu

    2016-06-01

    To enhance prediction reliability and accuracy, a hybrid model based on the promising principle of "decomposition and ensemble" and a recently proposed meta-heuristic called grey wolf optimizer (GWO) is introduced for daily PM2.5 concentration forecasting. Compared with existing PM2.5 forecasting methods, this proposed model has improved the prediction accuracy and hit rates of directional prediction. The proposed model involves three main steps, i.e., decomposing the original PM2.5 series into several intrinsic mode functions (IMFs) via complementary ensemble empirical mode decomposition (CEEMD) for simplifying the complex data; individually predicting each IMF with support vector regression (SVR) optimized by GWO; integrating all predicted IMFs for the ensemble result as the final prediction by another SVR optimized by GWO. Seven benchmark models, including single artificial intelligence (AI) models, other decomposition-ensemble models with different decomposition methods and models with the same decomposition-ensemble method but optimized by different algorithms, are considered to verify the superiority of the proposed hybrid model. The empirical study indicates that the proposed hybrid decomposition-ensemble model is remarkably superior to all considered benchmark models for its higher prediction accuracy and hit rates of directional prediction.

  20. Resonance-Based Sparse Signal Decomposition and its Application in Mechanical Fault Diagnosis: A Review.

    PubMed

    Huang, Wentao; Sun, Hongjian; Wang, Weijie

    2017-06-03

    Mechanical equipment is the heart of industry. For this reason, mechanical fault diagnosis has drawn considerable attention. In terms of the rich information hidden in fault vibration signals, the processing and analysis techniques of vibration signals have become a crucial research issue in the field of mechanical fault diagnosis. Based on the theory of sparse decomposition, Selesnick proposed a novel nonlinear signal processing method: resonance-based sparse signal decomposition (RSSD). Since being put forward, RSSD has become widely recognized, and many RSSD-based methods have been developed to guide mechanical fault diagnosis. This paper attempts to summarize and review the theoretical developments and application advances of RSSD in mechanical fault diagnosis, and to provide a more comprehensive reference for those interested in RSSD and mechanical fault diagnosis. Followed by a brief introduction of RSSD's theoretical foundation, based on different optimization directions, applications of RSSD in mechanical fault diagnosis are categorized into five aspects: original RSSD, parameter optimized RSSD, subband optimized RSSD, integrated optimized RSSD, and RSSD combined with other methods. On this basis, outstanding issues in current RSSD study are also pointed out, as well as corresponding instructional solutions. We hope this review will provide an insightful reference for researchers and readers who are interested in RSSD and mechanical fault diagnosis.

  1. Resonance-Based Sparse Signal Decomposition and Its Application in Mechanical Fault Diagnosis: A Review

    PubMed Central

    Huang, Wentao; Sun, Hongjian; Wang, Weijie

    2017-01-01

    Mechanical equipment is the heart of industry. For this reason, mechanical fault diagnosis has drawn considerable attention. In terms of the rich information hidden in fault vibration signals, the processing and analysis techniques of vibration signals have become a crucial research issue in the field of mechanical fault diagnosis. Based on the theory of sparse decomposition, Selesnick proposed a novel nonlinear signal processing method: resonance-based sparse signal decomposition (RSSD). Since being put forward, RSSD has become widely recognized, and many RSSD-based methods have been developed to guide mechanical fault diagnosis. This paper attempts to summarize and review the theoretical developments and application advances of RSSD in mechanical fault diagnosis, and to provide a more comprehensive reference for those interested in RSSD and mechanical fault diagnosis. Followed by a brief introduction of RSSD’s theoretical foundation, based on different optimization directions, applications of RSSD in mechanical fault diagnosis are categorized into five aspects: original RSSD, parameter optimized RSSD, subband optimized RSSD, integrated optimized RSSD, and RSSD combined with other methods. On this basis, outstanding issues in current RSSD study are also pointed out, as well as corresponding instructional solutions. We hope this review will provide an insightful reference for researchers and readers who are interested in RSSD and mechanical fault diagnosis. PMID:28587198

  2. Base-catalyzed efficient tandem [3 + 3] and [3 + 2 + 1] annulation-aerobic oxidative benzannulations.

    PubMed

    Diallo, Aboubacar; Zhao, Yu-Long; Wang, He; Li, Sha-Sha; Ren, Chuan-Qing; Liu, Qun

    2012-11-16

    An efficient synthesis of substituted benzenes via a base-catalyzed [3 + 3] aerobic oxidative aromatization of α,β-unsaturated carbonyl compounds with dimethyl glutaconate was reported. All the reactions were carried out under mild, metal-free conditions to afford the products in high to excellent yields with molecular oxygen as the sole oxidant and water as the sole byproduct. Furthermore, a more convenient tandem [3 + 2 + 1] aerobic oxidative aromatization reaction was developed through the in situ generation of the α,β-unsaturated carbonyl compounds from aldehydes and ketones.

  3. Colorimetric detection of 1,5-anhydroglucitol based on graphene quantum dots and enzyme-catalyzed reaction.

    PubMed

    Zhou, Zhide; Zhao, Le; Wang, Zhihong; Xue, Wen; Wang, Yunxiao; Huang, Yong; Liang, Jintao; Chen, Jiejing; Li, Guiyin

    2018-06-01

    Early diagnosis of diabetes yields significant clinical benefits. The serum level of 1,5‑anhydroglucitol (1,5‑AG) has been a new biochemical marker for postprandial hyperglycemia. In this study, a simple colorimetric method for 1,5‑AG detection has been designed based on highly efficient peroxidase mimetic activity of GQDs and enzyme-catalyzed reaction. By the catalytic action of pyranose oxidase (PROD), the 1,5‑AG was oxidized to 1,5‑anhydrofuctose and H 2 O 2 . The GQDs in the presence of H 2 O 2 exhibited highly efficient catalytic activity toward the oxidation of 3, 3', 5, 5'‑tetramethylbenzidine (TMB) to a blue colored product. The influence of relevant experimental variables was optimized. A linear relationship of optical signal with the concentration of 1,5‑AG in the range of 20.0-100.0μg/mL with the regression correlation coefficient of 0.9985 was obtained which could be monitored by colorimetry detection. The limit of detection (LOD) for 1,5‑AG detection was approximately 0.144μg/mL. All in all, the proposed 1,5‑AG detection system based on GQDs and PROD-catalyzed reaction showed better performances with simple operation, low-cost, higher selectivity. Copyright © 2018 Elsevier B.V. All rights reserved.

  4. Phase-only asymmetric optical cryptosystem based on random modulus decomposition

    NASA Astrophysics Data System (ADS)

    Xu, Hongfeng; Xu, Wenhui; Wang, Shuaihua; Wu, Shaofan

    2018-06-01

    We propose a phase-only asymmetric optical cryptosystem based on random modulus decomposition (RMD). The cryptosystem is presented for effectively improving the capacity to resist various attacks, including the attack of iterative algorithms. On the one hand, RMD and phase encoding are combined to remove the constraints that can be used in the attacking process. On the other hand, the security keys (geometrical parameters) introduced by Fresnel transform can increase the key variety and enlarge the key space simultaneously. Numerical simulation results demonstrate the strong feasibility, security and robustness of the proposed cryptosystem. This cryptosystem will open up many new opportunities in the application fields of optical encryption and authentication.

  5. Investigation to biodiesel production by the two-step homogeneous base-catalyzed transesterification.

    PubMed

    Ye, Jianchu; Tu, Song; Sha, Yong

    2010-10-01

    For the two-step transesterification biodiesel production made from the sunflower oil, based on the kinetics model of the homogeneous base-catalyzed transesterification and the liquid-liquid phase equilibrium of the transesterification product, the total methanol/oil mole ratio, the total reaction time, and the split ratios of methanol and reaction time between the two reactors in the stage of the two-step reaction are determined quantitatively. In consideration of the transesterification intermediate product, both the traditional distillation separation process and the improved separation process of the two-step reaction product are investigated in detail by means of the rigorous process simulation. In comparison with the traditional distillation process, the improved separation process of the two-step reaction product has distinct advantage in the energy duty and equipment requirement due to replacement of the costly methanol-biodiesel distillation column. Copyright 2010 Elsevier Ltd. All rights reserved.

  6. A PERFORMANCE HISTORY OF THE BASE CATALYZED DECOMPOSITION (BCD) PROCESS

    EPA Science Inventory

    Remediation of halogenated organic compounds--such as polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins (PCDDs), and polychlorinated dibenzofurans (PCDFs)--poses a challenge because these compounds are resistant to microbial attack and to degradation by many com...

  7. Photodegradation at day, microbial decomposition at night - decomposition in arid lands

    NASA Astrophysics Data System (ADS)

    Gliksman, Daniel; Gruenzweig, Jose

    2014-05-01

    Our current knowledge of decomposition in dry seasons and its role in carbon turnover is fragmentary. So far, decomposition during dry seasons was mostly attributed to abiotic mechanisms, mainly photochemical and thermal degradation, while the contribution of microorganisms to the decay process was excluded. We asked whether microbial decomposition occurs during the dry season and explored its interaction with photochemical degradation under Mediterranean climate. We conducted a litter bag experiment with local plant litter and manipulated litter exposure to radiation using radiation filters. We found notable rates of CO2 fluxes from litter which were related to microbial activity mainly during night-time throughout the dry season. This activity was correlated with litter moisture content and high levels of air humidity and dew. Day-time CO2 fluxes were related to solar radiation, and radiation manipulation suggested photodegradation as the underlying mechanism. In addition, a decline in microbial activity was followed by a reduction in photodegradation-related CO2 fluxes. The levels of microbial decomposition and photodegradation in the dry season were likely the factors influencing carbon mineralization during the subsequent wet season. This study showed that microbial decomposition can be a dominant contributor to CO2 emissions and mass loss in the dry season and it suggests a regulating effect of microbial activity on photodegradation. Microbial decomposition is an important contributor to the dry season decomposition and impacts the annual litter turn-over rates in dry regions. Global warming may lead to reduced moisture availability and dew deposition, which may greatly influence not only microbial decomposition of plant litter, but also photodegradation.

  8. Roles of the Lewis acid and base in the chemical reduction of CO2 catalyzed by frustrated Lewis pairs.

    PubMed

    Lim, Chern-Hooi; Holder, Aaron M; Hynes, James T; Musgrave, Charles B

    2013-09-03

    We employ quantum chemical calculations to discover how frustrated Lewis pairs (FLP) catalyze the reduction of CO2 by ammonia borane (AB); specifically, we examine how the Lewis acid (LA) and Lewis base (LB) of an FLP activate CO2 for reduction. We find that the LA (trichloroaluminum, AlCl3) alone catalyzes hydride transfer (HT) to CO2 while the LB (trimesitylenephosphine, PMes3) actually hinders HT; inclusion of the LB increases the HT barrier by ∼8 kcal/mol relative to the reaction catalyzed by LAs only. The LB hinders HT by donating its lone pair to the LUMO of CO2, increasing the electron density on the C atom and thus lowering its hydride affinity. Although the LB hinders HT, it nonetheless plays a crucial role by stabilizing the active FLP·CO2 complex relative to the LA dimer, free CO2, and free LB. This greatly increases the concentration of the reactive complex in the form FLP·CO2 and thus increases the rate of reaction. We expect that the principles we describe will aid in understanding other catalytic CO2 reductions.

  9. Thermodynamics of Enzyme-Catalyzed Reactions Database

    National Institute of Standards and Technology Data Gateway

    SRD 74 Thermodynamics of Enzyme-Catalyzed Reactions Database (Web, free access)   The Thermodynamics of Enzyme-Catalyzed Reactions Database contains thermodynamic data on enzyme-catalyzed reactions that have been recently published in the Journal of Physical and Chemical Reference Data (JPCRD). For each reaction the following information is provided: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the data and an evaluation thereof.

  10. Experimental investigation of the catalytic decomposition and combustion characteristics of a non-toxic ammonium dinitramide (ADN)-based monopropellant thruster

    NASA Astrophysics Data System (ADS)

    Chen, Jun; Li, Guoxiu; Zhang, Tao; Wang, Meng; Yu, Yusong

    2016-12-01

    Low toxicity ammonium dinitramide (ADN)-based aerospace propulsion systems currently show promise with regard to applications such as controlling satellite attitude. In the present work, the decomposition and combustion processes of an ADN-based monopropellant thruster were systematically studied, using a thermally stable catalyst to promote the decomposition reaction. The performance of the ADN propulsion system was investigated using a ground test system under vacuum, and the physical properties of the ADN-based propellant were also examined. Using this system, the effects of the preheating temperature and feed pressure on the combustion characteristics and thruster performance during steady state operation were observed. The results indicate that the propellant and catalyst employed during this work, as well as the design and manufacture of the thruster, met performance requirements. Moreover, the 1 N ADN thruster generated a specific impulse of 223 s, demonstrating the efficacy of the new catalyst. The thruster operational parameters (specifically, the preheating temperature and feed pressure) were found to have a significant effect on the decomposition and combustion processes within the thruster, and the performance of the thruster was demonstrated to improve at higher feed pressures and elevated preheating temperatures. A lower temperature of 140 °C was determined to activate the catalytic decomposition and combustion processes more effectively compared with the results obtained using other conditions. The data obtained in this study should be beneficial to future systematic and in-depth investigations of the combustion mechanism and characteristics within an ADN thruster.

  11. Catalyzed pyrolysis of grape and olive bagasse. Influence of catalyst type and chemical treatment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Encinar, J.M.; Beltran, F.J.; Ramiro, A.

    1997-10-01

    Catalyzed pyrolysis of grape and olive bagasse under different experimental conditions has been studied. Variables investigated were temperature and type and concentration of catalysts. Experiments were carried out in an isothermal manner. Products of pyrolysis are gases (H{sub 2}, CO, CO{sub 2}, and CH{sub 4}), liquids (methanol, acetone, furfurylic alcohol, phenol, furfural, naphthalene, and o-cresol), and solids (chars). Temperature is a significant variable, yielding increases of fixed carbon content, gases, and to a lesser extent, ash percentage. Catalyst presence also yields increases of solid phase content, but the amount of liquid components decrease. Among catalysts applied those of Fe andmore » Zn are the most advisable to obtain gases. Chemical treatment of bagasses with sulfuric or phosphoric acid washing leads to lower char yields, although fixed carbon content is higher and ash presence diminishes with respect to catalyst pyrolysis without chemical pretreatment. A pyrolysis kinetic study based on gas generation from thermal decomposition of residues has been carried out. From the model proposed, rate constants for the formation of each gas, reaction order of the catalyst, and activation energies were determined.« less

  12. Enhancement of nitric oxide decomposition efficiency achieved with lanthanum-based perovskite-type catalyst.

    PubMed

    Pan, Kuan Lun; Chen, Mei Chung; Yu, Sheng Jen; Yan, Shaw Yi; Chang, Moo Been

    2016-06-01

    Direct decompositions of nitric oxide (NO) by La0.7Ce0.3SrNiO4, La0.4Ba0.4Ce0.2SrNiO4, and Pr0.4Ba0.4Ce0.2SrNiO4 are experimentally investigated, and the catalysts are tested with different operating parameters to evaluate their activities. Experimental results indicate that the physical and chemical properties of La0.7Ce0.3SrNiO4 are significantly improved by doping with Ba and partial substitution with Pr. NO decomposition efficiencies achieved with La0.4Ba0.4Ce0.2SrNiO4 and Pr0.4Ba0.4Ce0.2SrNiO4 are 32% and 68%, respectively, at 400 °C with He as carrier gas. As the temperature is increased to 600 °C, NO decomposition efficiencies achieved with La0.4Ba0.4Ce0.2SrNiO4 and Pr0.4Ba0.4Ce0.2SrNiO4, respectively, reach 100% with the inlet NO concentration of 1000 ppm while the space velocity is fixed at 8000 hr(-1). Effects of O2, H2O(g), and CO2 contents and space velocity on NO decomposition are also explored. The results indicate that NO decomposition efficiencies achieved with La0.4Ba0.4Ce0.2SrNiO4 and Pr0.4Ba0.4Ce0.2SrNiO4, respectively, are slightly reduced as space velocity is increased from 8000 to 20,000 hr(-1) at 500 °C. In addition, the activities of both catalysts (La0.4Ba0.4Ce0.2SrNiO4 and Pr0.4Ba0.4Ce0.2SrNiO4) for NO decomposition are slightly reduced in the presence of 5% O2, 5% CO2, or 5% H2O(g). For durability test, with the space velocity of 8000 hr(-1) and operating temperature of 600 °C, high N2 yield is maintained throughout the durability test of 60 hr, revealing the long-term stability of Pr0.4Ba0.4Ce0.2SrNiO4 for NO decomposition. Overall, Pr0.4Ba0.4Ce0.2SrNiO4 shows good catalytic activity for NO decomposition. Nitrous oxide (NO) not only causes adverse environmental effects such as acid rain, photochemical smog, and deterioration of visibility and water quality, but also harms human lungs and respiratory system. Pervoskite-type catalysts, including La0.7Ce0.3SrNiO4, La0.4Ba0.4Ce0.2SrNiO4, and Pr0.4Ba0.4Ce0.2SrNiO4, are applied for direct

  13. ADVANCED OXIDATION: OXALATE DECOMPOSITION TESTING WITH OZONE

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ketusky, E.; Subramanian, K.

    At the Savannah River Site (SRS), oxalic acid is currently considered the preferred agent for chemically cleaning the large underground Liquid Radioactive Waste Tanks. It is applied only in the final stages of emptying a tank when generally less than 5,000 kg of waste solids remain, and slurrying based removal methods are no-longer effective. The use of oxalic acid is preferred because of its combined dissolution and chelating properties, as well as the fact that corrosion to the carbon steel tank walls can be controlled. Although oxalic acid is the preferred agent, there are significant potential downstream impacts. Impacts include:more » (1) Degraded evaporator operation; (2) Resultant oxalate precipitates taking away critically needed operating volume; and (3) Eventual creation of significant volumes of additional feed to salt processing. As an alternative to dealing with the downstream impacts, oxalate decomposition using variations of ozone based Advanced Oxidation Process (AOP) were investigated. In general AOPs use ozone or peroxide and a catalyst to create hydroxyl radicals. Hydroxyl radicals have among the highest oxidation potentials, and are commonly used to decompose organics. Although oxalate is considered among the most difficult organic to decompose, the ability of hydroxyl radicals to decompose oxalate is considered to be well demonstrated. In addition, as AOPs are considered to be 'green' their use enables any net chemical additions to the waste to be minimized. In order to test the ability to decompose the oxalate and determine the decomposition rates, a test rig was designed, where 10 vol% ozone would be educted into a spent oxalic acid decomposition loop, with the loop maintained at 70 C and recirculated at 40L/min. Each of the spent oxalic acid streams would be created from three oxalic acid strikes of an F-area simulant (i.e., Purex = high Fe/Al concentration) and H-area simulant (i.e., H area modified Purex = high Al/Fe concentration) after

  14. About decomposition approach for solving the classification problem

    NASA Astrophysics Data System (ADS)

    Andrianova, A. A.

    2016-11-01

    This article describes the features of the application of an algorithm with using of decomposition methods for solving the binary classification problem of constructing a linear classifier based on Support Vector Machine method. Application of decomposition reduces the volume of calculations, in particular, due to the emerging possibilities to build parallel versions of the algorithm, which is a very important advantage for the solution of problems with big data. The analysis of the results of computational experiments conducted using the decomposition approach. The experiment use known data set for binary classification problem.

  15. Factors influencing leaf litter decomposition: An intersite decomposition experiment across China

    USGS Publications Warehouse

    Zhou, G.; Guan, L.; Wei, X.; Tang, X.; Liu, S.; Liu, J.; Zhang, Dongxiao; Yan, J.

    2008-01-01

    The Long-Term Intersite Decomposition Experiment in China (hereafter referred to as LTIDE-China) was established in 2002 to study how substrate quality and macroclimate factors affect leaf litter decomposition. The LTIDE-China includes a wide variety of natural and managed ecosystems, consisting of 12 forest types (eight regional broadleaf forests, three needle-leaf plantations and one broadleaf plantation) at eight locations across China. Samples of mixed leaf litter from the south subtropical evergreen broadleaf forest in Dinghushan (referred to as the DHS sample) were translocated to all 12 forest types. The leaf litter from each of other 11 forest types was placed in its original forest to enable comparison of decomposition rates of DHS and local litters. The experiment lasted for 30 months, involving collection of litterbags from each site every 3 months. Our results show that annual decomposition rate-constants, as represented by regression fitted k-values, ranged from 0.169 to 1.454/year. Climatic factors control the decomposition rate, in which mean annual temperature and annual actual evapotranspiration are dominant and mean annual precipitation is subordinate. Initial C/N and N/P ratios were demonstrated to be important factors of regulating litter decomposition rate. Decomposition process may apparently be divided into two phases controlled by different factors. In our study, 0.75 years is believed to be the dividing line of the two phases. The fact that decomposition rates of DHS litters were slower than those of local litters may have been resulted from the acclimation of local decomposer communities to extraneous substrate. ?? 2008 Springer Science+Business Media B.V.

  16. Multi-scale pixel-based image fusion using multivariate empirical mode decomposition.

    PubMed

    Rehman, Naveed ur; Ehsan, Shoaib; Abdullah, Syed Muhammad Umer; Akhtar, Muhammad Jehanzaib; Mandic, Danilo P; McDonald-Maier, Klaus D

    2015-05-08

    A novel scheme to perform the fusion of multiple images using the multivariate empirical mode decomposition (MEMD) algorithm is proposed. Standard multi-scale fusion techniques make a priori assumptions regarding input data, whereas standard univariate empirical mode decomposition (EMD)-based fusion techniques suffer from inherent mode mixing and mode misalignment issues, characterized respectively by either a single intrinsic mode function (IMF) containing multiple scales or the same indexed IMFs corresponding to multiple input images carrying different frequency information. We show that MEMD overcomes these problems by being fully data adaptive and by aligning common frequency scales from multiple channels, thus enabling their comparison at a pixel level and subsequent fusion at multiple data scales. We then demonstrate the potential of the proposed scheme on a large dataset of real-world multi-exposure and multi-focus images and compare the results against those obtained from standard fusion algorithms, including the principal component analysis (PCA), discrete wavelet transform (DWT) and non-subsampled contourlet transform (NCT). A variety of image fusion quality measures are employed for the objective evaluation of the proposed method. We also report the results of a hypothesis testing approach on our large image dataset to identify statistically-significant performance differences.

  17. Multi-Scale Pixel-Based Image Fusion Using Multivariate Empirical Mode Decomposition

    PubMed Central

    Rehman, Naveed ur; Ehsan, Shoaib; Abdullah, Syed Muhammad Umer; Akhtar, Muhammad Jehanzaib; Mandic, Danilo P.; McDonald-Maier, Klaus D.

    2015-01-01

    A novel scheme to perform the fusion of multiple images using the multivariate empirical mode decomposition (MEMD) algorithm is proposed. Standard multi-scale fusion techniques make a priori assumptions regarding input data, whereas standard univariate empirical mode decomposition (EMD)-based fusion techniques suffer from inherent mode mixing and mode misalignment issues, characterized respectively by either a single intrinsic mode function (IMF) containing multiple scales or the same indexed IMFs corresponding to multiple input images carrying different frequency information. We show that MEMD overcomes these problems by being fully data adaptive and by aligning common frequency scales from multiple channels, thus enabling their comparison at a pixel level and subsequent fusion at multiple data scales. We then demonstrate the potential of the proposed scheme on a large dataset of real-world multi-exposure and multi-focus images and compare the results against those obtained from standard fusion algorithms, including the principal component analysis (PCA), discrete wavelet transform (DWT) and non-subsampled contourlet transform (NCT). A variety of image fusion quality measures are employed for the objective evaluation of the proposed method. We also report the results of a hypothesis testing approach on our large image dataset to identify statistically-significant performance differences. PMID:26007714

  18. Theoretical studies of the transition state structures and free energy barriers for base-catalyzed hydrolysis of amides

    PubMed Central

    Xiong, Ying; Zhan, Chang-Guo

    2010-01-01

    The transition state structures and free energy barriers for the rate-determining step (i.e. the formation of a tetrahedral intermediate) of base-catalyzed hydrolysis of a series of amides in aqueous solution have been studied by performing first-principle electronic structure calculations using a hybrid supermolecule-polarizable continuum approach. The calculated results and a revisit of recently reported experimental proton inventory data reveal that the favorable transition state structure optimized for the tetrahedral intermediate formation of hydroxide ion-catalyzed hydrolysis of formamide may have three solvating water molecules remaining on the attacking hydroxide oxygen and two additional water molecules attached to the carbonyl oxygen of formamide. The calculated results have also demonstrated interesting substituent effects on the optimized transition state geometries, on the transition-state stabilization, and on the calculated free energy barriers for the base-catalyzed hydrolysis of amides. When some or all of the hydrogen atoms of formamide are replaced by methyl groups, the total number of water molecules hydrogen-bonding with the attacking hydroxide in the transition state decreases from three for formamide to two for N-methylacetamide, N,N-dimethylformamide (DMF), and N,N-dimethylacetamide (DMA). The larger substituents of the amide hinder the solvent water molecules approaching the attacking hydroxide oxygen in the transition state and, therefore, destabilize the transition state structure and increase the free energy barrier. By using the optimized most favorable transition state structures, the calculated free energy barriers, i.e. 21.6 (or 21.7), 22.7, 23.1, and 26.0 kcal/mol for formamide, N-methylacetamide, DMF, and DMA, respectively, are in good agreement with the available experimental free energy barriers, i.e. 21.2, 21.5, 22.6, and 24.1 kcal/mol for formamide, N-methylacetamide, DMF, and DMA, respectively. PMID:17107116

  19. Domain decomposition for aerodynamic and aeroacoustic analyses, and optimization

    NASA Technical Reports Server (NTRS)

    Baysal, Oktay

    1995-01-01

    The overarching theme was the domain decomposition, which intended to improve the numerical solution technique for the partial differential equations at hand; in the present study, those that governed either the fluid flow, or the aeroacoustic wave propagation, or the sensitivity analysis for a gradient-based optimization. The role of the domain decomposition extended beyond the original impetus of discretizing geometrical complex regions or writing modular software for distributed-hardware computers. It induced function-space decompositions and operator decompositions that offered the valuable property of near independence of operator evaluation tasks. The objectives have gravitated about the extensions and implementations of either the previously developed or concurrently being developed methodologies: (1) aerodynamic sensitivity analysis with domain decomposition (SADD); (2) computational aeroacoustics of cavities; and (3) dynamic, multibody computational fluid dynamics using unstructured meshes.

  20. Decomposition Mechanism and Decomposition Promoting Factors of Waste Hard Metal for Zinc Decomposition Process (ZDP)

    NASA Astrophysics Data System (ADS)

    Pee, J. H.; Kim, Y. J.; Kim, J. Y.; Seong, N. E.; Cho, W. S.; Kim, K. J.

    2011-10-01

    Decomposition promoting factors and decomposition mechanism in the zinc decomposition process of waste hard metals which are composed mostly of tungsten carbide and cobalt were evaluated. Zinc volatility amount was suppressed and zinc steam pressure was produced in the reaction graphite crucible inside an electric furnace for ZDP. Reaction was done for 2 hrs at 650 °C, which 100 % decomposed the waste hard metals that were over 30 mm thick. As for the separation-decomposition of waste hard metals, zinc melted alloy formed a liquid composed of a mixture of γ-β1 phase from the cobalt binder layer (reaction interface). The volume of reacted zone was expanded and the waste hard metal layer was decomposed-separated horizontally from the hard metal. Zinc used in the ZDP process was almost completely removed-collected by decantation and volatilization-collection process at 1000 °C. The small amount of zinc remaining in the tungsten carbide-cobalt powder which was completely decomposed was fully removed by using phosphate solution which had a slow cobalt dissolution speed.

  1. Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF.

    PubMed

    Rom, Naomi; Zybin, Sergey V; van Duin, Adri C T; Goddard, William A; Zeiri, Yehuda; Katz, Gil; Kosloff, Ronnie

    2011-09-15

    The decomposition mechanism of hot liquid nitromethane at various compressions was studied using reactive force field (ReaxFF) molecular dynamics simulations. A competition between two different initial thermal decomposition schemes is observed, depending on compression. At low densities, unimolecular C-N bond cleavage is the dominant route, producing CH(3) and NO(2) fragments. As density and pressure rise approaching the Chapman-Jouget detonation conditions (∼30% compression, >2500 K) the dominant mechanism switches to the formation of the CH(3)NO fragment via H-transfer and/or N-O bond rupture. The change in the decomposition mechanism of hot liquid NM leads to a different kinetic and energetic behavior, as well as products distribution. The calculated density dependence of the enthalpy change correlates with the change in initial decomposition reaction mechanism. It can be used as a convenient and useful global parameter for the detection of reaction dynamics. Atomic averaged local diffusion coefficients are shown to be sensitive to the reactions dynamics, and can be used to distinguish between time periods where chemical reactions occur and diffusion-dominated, nonreactive time periods. © 2011 American Chemical Society

  2. Factors controlling bark decomposition and its role in wood decomposition in five tropical tree species

    PubMed Central

    Dossa, Gbadamassi G. O.; Paudel, Ekananda; Cao, Kunfang; Schaefer, Douglas; Harrison, Rhett D.

    2016-01-01

    Organic matter decomposition represents a vital ecosystem process by which nutrients are made available for plant uptake and is a major flux in the global carbon cycle. Previous studies have investigated decomposition of different plant parts, but few considered bark decomposition or its role in decomposition of wood. However, bark can comprise a large fraction of tree biomass. We used a common litter-bed approach to investigate factors affecting bark decomposition and its role in wood decomposition for five tree species in a secondary seasonal tropical rain forest in SW China. For bark, we implemented a litter bag experiment over 12 mo, using different mesh sizes to investigate effects of litter meso- and macro-fauna. For wood, we compared the decomposition of branches with and without bark over 24 mo. Bark in coarse mesh bags decomposed 1.11–1.76 times faster than bark in fine mesh bags. For wood decomposition, responses to bark removal were species dependent. Three species with slow wood decomposition rates showed significant negative effects of bark-removal, but there was no significant effect in the other two species. Future research should also separately examine bark and wood decomposition, and consider bark-removal experiments to better understand roles of bark in wood decomposition. PMID:27698461

  3. Factors controlling bark decomposition and its role in wood decomposition in five tropical tree species.

    PubMed

    Dossa, Gbadamassi G O; Paudel, Ekananda; Cao, Kunfang; Schaefer, Douglas; Harrison, Rhett D

    2016-10-04

    Organic matter decomposition represents a vital ecosystem process by which nutrients are made available for plant uptake and is a major flux in the global carbon cycle. Previous studies have investigated decomposition of different plant parts, but few considered bark decomposition or its role in decomposition of wood. However, bark can comprise a large fraction of tree biomass. We used a common litter-bed approach to investigate factors affecting bark decomposition and its role in wood decomposition for five tree species in a secondary seasonal tropical rain forest in SW China. For bark, we implemented a litter bag experiment over 12 mo, using different mesh sizes to investigate effects of litter meso- and macro-fauna. For wood, we compared the decomposition of branches with and without bark over 24 mo. Bark in coarse mesh bags decomposed 1.11-1.76 times faster than bark in fine mesh bags. For wood decomposition, responses to bark removal were species dependent. Three species with slow wood decomposition rates showed significant negative effects of bark-removal, but there was no significant effect in the other two species. Future research should also separately examine bark and wood decomposition, and consider bark-removal experiments to better understand roles of bark in wood decomposition.

  4. Automatic classification of visual evoked potentials based on wavelet decomposition

    NASA Astrophysics Data System (ADS)

    Stasiakiewicz, Paweł; Dobrowolski, Andrzej P.; Tomczykiewicz, Kazimierz

    2017-04-01

    Diagnosis of part of the visual system, that is responsible for conducting compound action potential, is generally based on visual evoked potentials generated as a result of stimulation of the eye by external light source. The condition of patient's visual path is assessed by set of parameters that describe the time domain characteristic extremes called waves. The decision process is compound therefore diagnosis significantly depends on experience of a doctor. The authors developed a procedure - based on wavelet decomposition and linear discriminant analysis - that ensures automatic classification of visual evoked potentials. The algorithm enables to assign individual case to normal or pathological class. The proposed classifier has a 96,4% sensitivity at 10,4% probability of false alarm in a group of 220 cases and area under curve ROC equals to 0,96 which, from the medical point of view, is a very good result.

  5. DNA-Catalyzed Amide Hydrolysis.

    PubMed

    Zhou, Cong; Avins, Joshua L; Klauser, Paul C; Brandsen, Benjamin M; Lee, Yujeong; Silverman, Scott K

    2016-02-24

    DNA catalysts (deoxyribozymes) for a variety of reactions have been identified by in vitro selection. However, for certain reactions this identification has not been achieved. One important example is DNA-catalyzed amide hydrolysis, for which a previous selection experiment instead led to DNA-catalyzed DNA phosphodiester hydrolysis. Subsequent efforts in which the selection strategy deliberately avoided phosphodiester hydrolysis led to DNA-catalyzed ester and aromatic amide hydrolysis, but aliphatic amide hydrolysis has been elusive. In the present study, we show that including modified nucleotides that bear protein-like functional groups (any one of primary amino, carboxyl, or primary hydroxyl) enables identification of amide-hydrolyzing deoxyribozymes. In one case, the same deoxyribozyme sequence without the modifications still retains substantial catalytic activity. Overall, these findings establish the utility of introducing protein-like functional groups into deoxyribozymes for identifying new catalytic function. The results also suggest the longer-term feasibility of deoxyribozymes as artificial proteases.

  6. Efficient synthesis of optically active 4-nitro-cyclohexanones via bifunctional thiourea-base catalyzed double-Michael addition of nitromethane to dienones.

    PubMed

    Wu, Bin; Liu, Guo-Gui; Li, Mei-Qiu; Zhang, Yong; Zhang, Shao-Yun; Qiu, Jun-Ru; Xu, Xiao-Ping; Ji, Shun-Jun; Wang, Xing-Wang

    2011-04-07

    Thiourea-modified cinchona alkaloids as bifunctional catalysts and a base could catalyze a stepwise [5+1] cyclization of divinyl ketones with nitromethane via double Michael additions, furnishing optically active 4-nitro-cyclohexanones with good yields, excellent diastereoselectivities (>20 : 1) and high enantiomeric ratios (up to 97 : 3).

  7. Block matrix based LU decomposition to analyze kinetic damping in active plasma resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Roehl, Jan Hendrik; Oberrath, Jens

    2016-09-01

    ``Active plasma resonance spectroscopy'' (APRS) is a widely used diagnostic method to measure plasma parameter like electron density. Measurements with APRS probes in plasmas of a few Pa typically show a broadening of the spectrum due to kinetic effects. To analyze the broadening a general kinetic model in electrostatic approximation based on functional analytic methods has been presented [ 1 ] . One of the main results is, that the system response function Y(ω) is given in terms of the matrix elements of the resolvent of the dynamic operator evaluated for values on the imaginary axis. To determine the response function of a specific probe the resolvent has to be approximated by a huge matrix which is given by a banded block structure. Due to this structure a block based LU decomposition can be implemented. It leads to a solution of Y(ω) which is given only by products of matrices of the inner block size. This LU decomposition allows to analyze the influence of kinetic effects on the broadening and saves memory and calculation time. Gratitude is expressed to the internal funding of Leuphana University.

  8. Ruthenium-Catalyzed Cascade C—H Functionalization of Phenylacetophenones**

    PubMed Central

    Mehta, Vaibhav P; García-López, José-Antonio; Greaney, Michael F

    2014-01-01

    Three orthogonal cascade C—H functionalization processes are described, based on ruthenium-catalyzed C—H alkenylation. 1-Indanones, indeno indenes, and indeno furanones were accessed through cascade pathways by using arylacetophenones as substrates under conditions of catalytic [{Ru(p-cymene)Cl2}2] and stoichiometric Cu(OAc)2. Each transformation uses C—H functionalization methods to form C—C bonds sequentially, with the indeno furanone synthesis featuring a C—O bond formation as the terminating step. This work demonstrates the power of ruthenium-catalyzed alkenylation as a platform reaction to develop more complex transformations, with multiple C—H functionalization steps taking place in a single operation to access novel carbocyclic structures. PMID:24453063

  9. A statistical approach based on accumulated degree-days to predict decomposition-related processes in forensic studies.

    PubMed

    Michaud, Jean-Philippe; Moreau, Gaétan

    2011-01-01

    Using pig carcasses exposed over 3 years in rural fields during spring, summer, and fall, we studied the relationship between decomposition stages and degree-day accumulation (i) to verify the predictability of the decomposition stages used in forensic entomology to document carcass decomposition and (ii) to build a degree-day accumulation model applicable to various decomposition-related processes. Results indicate that the decomposition stages can be predicted with accuracy from temperature records and that a reliable degree-day index can be developed to study decomposition-related processes. The development of degree-day indices opens new doors for researchers and allows for the application of inferential tools unaffected by climatic variability, as well as for the inclusion of statistics in a science that is primarily descriptive and in need of validation methods in courtroom proceedings. © 2010 American Academy of Forensic Sciences.

  10. Synthesis of polycrystalline Co{sub 3}O{sub 4} nanowires with excellent ammonium perchlorate catalytic decomposition property

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhou, Hai; University of Chinese Academy of Sciences, Beijing 100049; Lv, Baoliang, E-mail: lbl604@sxicc.ac.cn

    2014-12-15

    Graphical abstract: Co{sub 3}O{sub 4} nanowires with excellent ammonium perchlorate catalytic decomposition property were synthesized via a methanamide-assisted hydrolysis and subsequent dissolution–recrystallization process in the presence of methanamide. - Abstract: Co{sub 3}O{sub 4} nanowires, with the length of tens of micrometers and the width of several hundred nanometers, were produced by a hydrothermal treatment and a post-anneal process. X-ray diffraction (XRD) result showed that the Co{sub 3}O{sub 4} nanowires belong to cubic crystal system. Scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) analysis indicated that the Co{sub 3}O{sub 4} nanowires, composed by single crystalline nanoparticles, were of polycrystallinemore » nature. On the basis of time-dependent experiments, methanamide-assisted hydrolysis and subsequent dissolution–recrystallization process were used to explain the precursors' formation process of the polycrystalline Co{sub 3}O{sub 4} nanowires. The TGA experiments showed that the as-obtained Co{sub 3}O{sub 4} nanowires can catalyze the thermal decomposition of ammonium perchlorate (AP) effectively.« less

  11. Crop residue decomposition in Minnesota biochar-amended plots

    NASA Astrophysics Data System (ADS)

    Weyers, S. L.; Spokas, K. A.

    2014-06-01

    Impacts of biochar application at laboratory scales are routinely studied, but impacts of biochar application on decomposition of crop residues at field scales have not been widely addressed. The priming or hindrance of crop residue decomposition could have a cascading impact on soil processes, particularly those influencing nutrient availability. Our objectives were to evaluate biochar effects on field decomposition of crop residue, using plots that were amended with biochars made from different plant-based feedstocks and pyrolysis platforms in the fall of 2008. Litterbags containing wheat straw material were buried in July of 2011 below the soil surface in a continuous-corn cropped field in plots that had received one of seven different biochar amendments or a uncharred wood-pellet amendment 2.5 yr prior to start of this study. Litterbags were collected over the course of 14 weeks. Microbial biomass was assessed in treatment plots the previous fall. Though first-order decomposition rate constants were positively correlated to microbial biomass, neither parameter was statistically affected by biochar or wood-pellet treatments. The findings indicated only a residual of potentially positive and negative initial impacts of biochars on residue decomposition, which fit in line with established feedstock and pyrolysis influences. Overall, these findings indicate that no significant alteration in the microbial dynamics of the soil decomposer communities occurred as a consequence of the application of plant-based biochars evaluated here.

  12. A practical material decomposition method for x-ray dual spectral computed tomography.

    PubMed

    Hu, Jingjing; Zhao, Xing

    2016-03-17

    X-ray dual spectral CT (DSCT) scans the measured object with two different x-ray spectra, and the acquired rawdata can be used to perform the material decomposition of the object. Direct calibration methods allow a faster material decomposition for DSCT and can be separated in two groups: image-based and rawdata-based. The image-based method is an approximative method, and beam hardening artifacts remain in the resulting material-selective images. The rawdata-based method generally obtains better image quality than the image-based method, but this method requires geometrically consistent rawdata. However, today's clinical dual energy CT scanners usually measure different rays for different energy spectra and acquire geometrically inconsistent rawdata sets, and thus cannot meet the requirement. This paper proposes a practical material decomposition method to perform rawdata-based material decomposition in the case of inconsistent measurement. This method first yields the desired consistent rawdata sets from the measured inconsistent rawdata sets, and then employs rawdata-based technique to perform material decomposition and reconstruct material-selective images. The proposed method was evaluated by use of simulated FORBILD thorax phantom rawdata and dental CT rawdata, and simulation results indicate that this method can produce highly quantitative DSCT images in the case of inconsistent DSCT measurements.

  13. Iron-Catalyzed C-O Bond Activation: Opportunity for Sustainable Catalysis.

    PubMed

    Bisz, Elwira; Szostak, Michal

    2017-10-23

    Oxygen-based electrophiles have emerged as some of the most valuable cross-coupling partners in organic synthesis due to several major strategic and environmental benefits, such as abundance and potential to avoid toxic halide waste. In this context, iron-catalyzed C-O activation/cross-coupling holds particular promise to achieve sustainable catalytic protocols due to its natural abundance, inherent low toxicity, and excellent economic and ecological profile. Recently, tremendous progress has been achieved in the development of new methods for functional-group-tolerant iron-catalyzed cross-coupling reactions by selective C-O cleavage. These methods establish highly attractive alternatives to traditional cross-coupling reactions by using halides as electrophilic partners. In particular, new easily accessible oxygen-based electrophiles have emerged as substrates in iron-catalyzed cross-coupling reactions, which significantly broaden the scope of this catalysis platform. New mechanistic manifolds involving iron catalysis have been established; thus opening up vistas for the development of a wide range of unprecedented reactions. The synthetic potential of this sustainable mode of reactivity has been highlighted by the development of new strategies in the construction of complex motifs, including in target synthesis. The most recent advances in sustainable iron-catalyzed cross-coupling of C-O-based electrophiles are reviewed, with a focus on both mechanistic aspects and synthetic utility. It should be noted that this catalytic manifold provides access to motifs that are often not easily available by other methods, such as the assembly of stereodefined dienes or C(sp 2 )-C(sp 3 ) cross-couplings, thus emphasizing the synthetic importance of this mode of reactivity. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Implementation of material decomposition using an EMCCD and CMOS-based micro-CT system.

    PubMed

    Podgorsak, Alexander R; Nagesh, Sv Setlur; Bednarek, Daniel R; Rudin, Stephen; Ionita, Ciprian N

    2017-02-11

    This project assessed the effectiveness of using two different detectors to obtain dual-energy (DE) micro-CT data for the carrying out of material decomposition. A micro-CT coupled to either a complementary metal-oxide semiconductor (CMOS) or an electron multiplying CCD (EMCCD) detector was used to acquire image data of a 3D-printed phantom with channels filled with different materials. At any instance, materials such as iohexol contrast agent, water, and platinum were selected to make up the scanned object. DE micro-CT data was acquired, and slices of the scanned object were differentiated by material makeup. The success of the decomposition was assessed quantitatively through the computation of percentage normalized root-mean-square error (%NRMSE). Our results indicate a successful decomposition of iohexol for both detectors (%NRMSE values of 1.8 for EMCCD, 2.4 for CMOS), as well as platinum (%NRMSE value of 4.7). The CMOS detector performed material decomposition on air and water on average with 7 times more %NRMSE, possibly due to the decreased sensitivity of the CMOS system. Material decomposition showed the potential to differentiate between materials such as the iohexol and platinum, perhaps opening the door for its use in the neurovascular anatomical region. Work supported by Toshiba America Medical Systems, and partially supported by NIH grant 2R01EB002873.

  15. Implementation of material decomposition using an EMCCD and CMOS-based micro-CT system

    NASA Astrophysics Data System (ADS)

    Podgorsak, Alexander R.; Nagesh, S. V. Setlur; Bednarek, Daniel R.; Rudin, Stephen; Ionita, Ciprian N.

    2017-03-01

    This project assessed the effectiveness of using two different detectors to obtain dual-energy (DE) micro-CT data for the carrying out of material decomposition. A micro-CT coupled to either a complementary metal-oxide semiconductor (CMOS) or an electron multiplying CCD (EMCCD) detector was used to acquire image data of a 3D-printed phantom with channels filled with different materials. At any instance, materials such as iohexol contrast agent, water, and platinum were selected to make up the scanned object. DE micro-CT data was acquired, and slices of the scanned object were differentiated by material makeup. The success of the decomposition was assessed quantitatively through the computation of percentage normalized root-mean-square error (%NRMSE). Our results indicate a successful decomposition of iohexol for both detectors (%NRMSE values of 1.8 for EMCCD, 2.4 for CMOS), as well as platinum (%NRMSE value of 4.7). The CMOS detector performed material decomposition on air and water on average with 7 times more %NRMSE, possibly due to the decreased sensitivity of the CMOS system. Material decomposition showed the potential to differentiate between materials such as the iohexol and platinum, perhaps opening the door for its use in the neurovascular anatomical region. Work supported by Toshiba America Medical Systems, and partially supported by NIH grant 2R01EB002873.

  16. Systems-based decomposition schemes for the approximate solution of multi-term fractional differential equations

    NASA Astrophysics Data System (ADS)

    Ford, Neville J.; Connolly, Joseph A.

    2009-07-01

    We give a comparison of the efficiency of three alternative decomposition schemes for the approximate solution of multi-term fractional differential equations using the Caputo form of the fractional derivative. The schemes we compare are based on conversion of the original problem into a system of equations. We review alternative approaches and consider how the most appropriate numerical scheme may be chosen to solve a particular equation.

  17. Manganese Catalyzed C–H Halogenation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Wei; Groves, John T.

    2015-06-16

    The remarkable aliphatic C–H hydroxylations catalyzed by the heme-containing enzyme, cytochrome P450, have attracted sustained attention for more than four decades. The effectiveness of P450 enzymes as highly selective biocatalysts for a wide range of oxygenation reactions of complex substrates has driven chemists to develop synthetic metalloporphyrin model compounds that mimic P450 reactivity. Among various known metalloporphyrins, manganese derivatives have received considerable attention since they have been shown to be versatile and powerful mediators for alkane hydroxylation and olefin epoxidation. Mechanistic studies have shown that the key intermediates of the manganese porphyrin-catalyzed oxygenation reactions include oxo- and dioxomanganese(V) species thatmore » transfer an oxygen atom to the substrate through a hydrogen abstraction/oxygen recombination pathway known as the oxygen rebound mechanism. Application of manganese porphyrins has been largely restricted to catalysis of oxygenation reactions until recently, however, due to ultrafast oxygen transfer rates. In this Account, we discuss recently developed carbon–halogen bond formation, including fluorination reactions catalyzed by manganese porphyrins and related salen species. We found that biphasic sodium hypochlorite/manganese porphyrin systems can efficiently and selectively convert even unactivated aliphatic C–H bonds to C–Cl bonds. An understanding of this novel reactivity derived from results obtained for the oxidation of the mechanistically diagnostic substrate and radical clock, norcarane. Significantly, the oxygen rebound rate in Mn-mediated hydroxylation is highly correlated with the nature of the trans-axial ligands bound to the manganese center (L–Mn V$=$O). Based on the ability of fluoride ion to decelerate the oxygen rebound step, we envisaged that a relatively long-lived substrate radical could be trapped by a Mn–F fluorine source, effecting carbon–fluorine bond

  18. Seismic random noise attenuation method based on empirical mode decomposition of Hausdorff dimension

    NASA Astrophysics Data System (ADS)

    Yan, Z.; Luan, X.

    2017-12-01

    Introduction Empirical mode decomposition (EMD) is a noise suppression algorithm by using wave field separation, which is based on the scale differences between effective signal and noise. However, since the complexity of the real seismic wave field results in serious aliasing modes, it is not ideal and effective to denoise with this method alone. Based on the multi-scale decomposition characteristics of the signal EMD algorithm, combining with Hausdorff dimension constraints, we propose a new method for seismic random noise attenuation. First of all, We apply EMD algorithm adaptive decomposition of seismic data and obtain a series of intrinsic mode function (IMF)with different scales. Based on the difference of Hausdorff dimension between effectively signals and random noise, we identify IMF component mixed with random noise. Then we use threshold correlation filtering process to separate the valid signal and random noise effectively. Compared with traditional EMD method, the results show that the new method of seismic random noise attenuation has a better suppression effect. The implementation process The EMD algorithm is used to decompose seismic signals into IMF sets and analyze its spectrum. Since most of the random noise is high frequency noise, the IMF sets can be divided into three categories: the first category is the effective wave composition of the larger scale; the second category is the noise part of the smaller scale; the third category is the IMF component containing random noise. Then, the third kind of IMF component is processed by the Hausdorff dimension algorithm, and the appropriate time window size, initial step and increment amount are selected to calculate the Hausdorff instantaneous dimension of each component. The dimension of the random noise is between 1.0 and 1.05, while the dimension of the effective wave is between 1.05 and 2.0. On the basis of the previous steps, according to the dimension difference between the random noise and

  19. Regional income inequality model based on theil index decomposition and weighted variance coeficient

    NASA Astrophysics Data System (ADS)

    Sitepu, H. R.; Darnius, O.; Tambunan, W. N.

    2018-03-01

    Regional income inequality is an important issue in the study on economic development of a certain region. Rapid economic development may not in accordance with people’s per capita income. The method of measuring the regional income inequality has been suggested by many experts. This research used Theil index and weighted variance coefficient in order to measure the regional income inequality. Regional income decomposition which becomes the productivity of work force and their participation in regional income inequality, based on Theil index, can be presented in linear relation. When the economic assumption in j sector, sectoral income value, and the rate of work force are used, the work force productivity imbalance can be decomposed to become the component in sectors and in intra-sectors. Next, weighted variation coefficient is defined in the revenue and productivity of the work force. From the quadrate of the weighted variation coefficient result, it was found that decomposition of regional revenue imbalance could be analyzed by finding out how far each component contribute to regional imbalance which, in this research, was analyzed in nine sectors of economic business.

  20. QR-decomposition based SENSE reconstruction using parallel architecture.

    PubMed

    Ullah, Irfan; Nisar, Habab; Raza, Haseeb; Qasim, Malik; Inam, Omair; Omer, Hammad

    2018-04-01

    Magnetic Resonance Imaging (MRI) is a powerful medical imaging technique that provides essential clinical information about the human body. One major limitation of MRI is its long scan time. Implementation of advance MRI algorithms on a parallel architecture (to exploit inherent parallelism) has a great potential to reduce the scan time. Sensitivity Encoding (SENSE) is a Parallel Magnetic Resonance Imaging (pMRI) algorithm that utilizes receiver coil sensitivities to reconstruct MR images from the acquired under-sampled k-space data. At the heart of SENSE lies inversion of a rectangular encoding matrix. This work presents a novel implementation of GPU based SENSE algorithm, which employs QR decomposition for the inversion of the rectangular encoding matrix. For a fair comparison, the performance of the proposed GPU based SENSE reconstruction is evaluated against single and multicore CPU using openMP. Several experiments against various acceleration factors (AFs) are performed using multichannel (8, 12 and 30) phantom and in-vivo human head and cardiac datasets. Experimental results show that GPU significantly reduces the computation time of SENSE reconstruction as compared to multi-core CPU (approximately 12x speedup) and single-core CPU (approximately 53x speedup) without any degradation in the quality of the reconstructed images. Copyright © 2018 Elsevier Ltd. All rights reserved.

  1. Kinetics of acid base catalyzed transesterification of Jatropha curcas oil.

    PubMed

    Jain, Siddharth; Sharma, M P

    2010-10-01

    Out of various non-edible oil resources, Jatropha curcas oil (JCO) is considered as future feedstock for biodiesel production in India. Limited work is reported on the kinetics of transesterification of high free fatty acids containing oil. The present study reports the results of kinetic study of two-step acid base catalyzed transesterification process carried out at an optimum temperature of 65 °C and 50 °C for esterification and transesterification respectively under the optimum methanol to oil ratio of 3:7 (v/v), catalyst concentration 1% (w/w) for H₂SO₄ and NaOH. The yield of methyl ester (ME) has been used to study the effect of different parameters. The results indicate that both esterification and transesterification reaction are of first order with reaction rate constant of 0.0031 min⁻¹ and 0.008 min⁻¹ respectively. The maximum yield of 21.2% of ME during esterification and 90.1% from transesterification of pretreated JCO has been obtained. Copyright © 2010 Elsevier Ltd. All rights reserved.

  2. Interface conditions for domain decomposition with radical grid refinement

    NASA Technical Reports Server (NTRS)

    Scroggs, Jeffrey S.

    1991-01-01

    Interface conditions for coupling the domains in a physically motivated domain decomposition method are discussed. The domain decomposition is based on an asymptotic-induced method for the numerical solution of hyperbolic conservation laws with small viscosity. The method consists of multiple stages. The first stage is to obtain a first approximation using a first-order method, such as the Godunov scheme. Subsequent stages of the method involve solving internal-layer problem via a domain decomposition. The method is derived and justified via singular perturbation techniques.

  3. SU-F-J-138: An Extension of PCA-Based Respiratory Deformation Modeling Via Multi-Linear Decomposition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Iliopoulos, AS; Sun, X; Pitsianis, N

    Purpose: To address and lift the limited degree of freedom (DoF) of globally bilinear motion components such as those based on principal components analysis (PCA), for encoding and modeling volumetric deformation motion. Methods: We provide a systematic approach to obtaining a multi-linear decomposition (MLD) and associated motion model from deformation vector field (DVF) data. We had previously introduced MLD for capturing multi-way relationships between DVF variables, without being restricted by the bilinear component format of PCA-based models. PCA-based modeling is commonly used for encoding patient-specific deformation as per planning 4D-CT images, and aiding on-board motion estimation during radiotherapy. However, themore » bilinear space-time decomposition inherently limits the DoF of such models by the small number of respiratory phases. While this limit is not reached in model studies using analytical or digital phantoms with low-rank motion, it compromises modeling power in the presence of relative motion, asymmetries and hysteresis, etc, which are often observed in patient data. Specifically, a low-DoF model will spuriously couple incoherent motion components, compromising its adaptability to on-board deformation changes. By the multi-linear format of extracted motion components, MLD-based models can encode higher-DoF deformation structure. Results: We conduct mathematical and experimental comparisons between PCA- and MLD-based models. A set of temporally-sampled analytical trajectories provides a synthetic, high-rank DVF; trajectories correspond to respiratory and cardiac motion factors, including different relative frequencies and spatial variations. Additionally, a digital XCAT phantom is used to simulate a lung lesion deforming incoherently with respect to the body, which adheres to a simple respiratory trend. In both cases, coupling of incoherent motion components due to a low model DoF is clearly demonstrated. Conclusion: Multi

  4. Coarse-to-fine markerless gait analysis based on PCA and Gauss-Laguerre decomposition

    NASA Astrophysics Data System (ADS)

    Goffredo, Michela; Schmid, Maurizio; Conforto, Silvia; Carli, Marco; Neri, Alessandro; D'Alessio, Tommaso

    2005-04-01

    Human movement analysis is generally performed through the utilization of marker-based systems, which allow reconstructing, with high levels of accuracy, the trajectories of markers allocated on specific points of the human body. Marker based systems, however, show some drawbacks that can be overcome by the use of video systems applying markerless techniques. In this paper, a specifically designed computer vision technique for the detection and tracking of relevant body points is presented. It is based on the Gauss-Laguerre Decomposition, and a Principal Component Analysis Technique (PCA) is used to circumscribe the region of interest. Results obtained on both synthetic and experimental tests provide significant reduction of the computational costs, with no significant reduction of the tracking accuracy.

  5. Decompositions of large-scale biological systems based on dynamical properties.

    PubMed

    Soranzo, Nicola; Ramezani, Fahimeh; Iacono, Giovanni; Altafini, Claudio

    2012-01-01

    Given a large-scale biological network represented as an influence graph, in this article we investigate possible decompositions of the network aimed at highlighting specific dynamical properties. The first decomposition we study consists in finding a maximal directed acyclic subgraph of the network, which dynamically corresponds to searching for a maximal open-loop subsystem of the given system. Another dynamical property investigated is strong monotonicity. We propose two methods to deal with this property, both aimed at decomposing the system into strongly monotone subsystems, but with different structural characteristics: one method tends to produce a single large strongly monotone component, while the other typically generates a set of smaller disjoint strongly monotone subsystems. Original heuristics for the methods investigated are described in the article. altafini@sissa.it

  6. Evaluating litter decomposition and soil organic matter dynamics in earth system models: contrasting analysis of long-term litter decomposition and steady-state soil carbon

    NASA Astrophysics Data System (ADS)

    Bonan, G. B.; Wieder, W. R.

    2012-12-01

    Decomposition is a large term in the global carbon budget, but models of the earth system that simulate carbon cycle-climate feedbacks are largely untested with respect to litter decomposition. Here, we demonstrate a protocol to document model performance with respect to both long-term (10 year) litter decomposition and steady-state soil carbon stocks. First, we test the soil organic matter parameterization of the Community Land Model version 4 (CLM4), the terrestrial component of the Community Earth System Model, with data from the Long-term Intersite Decomposition Experiment Team (LIDET). The LIDET dataset is a 10-year study of litter decomposition at multiple sites across North America and Central America. We show results for 10-year litter decomposition simulations compared with LIDET for 9 litter types and 20 sites in tundra, grassland, and boreal, conifer, deciduous, and tropical forest biomes. We show additional simulations with DAYCENT, a version of the CENTURY model, to ask how well an established ecosystem model matches the observations. The results reveal large discrepancy between the laboratory microcosm studies used to parameterize the CLM4 litter decomposition and the LIDET field study. Simulated carbon loss is more rapid than the observations across all sites, despite using the LIDET-provided climatic decomposition index to constrain temperature and moisture effects on decomposition. Nitrogen immobilization is similarly biased high. Closer agreement with the observations requires much lower decomposition rates, obtained with the assumption that nitrogen severely limits decomposition. DAYCENT better replicates the observations, for both carbon mass remaining and nitrogen, without requirement for nitrogen limitation of decomposition. Second, we compare global observationally-based datasets of soil carbon with simulated steady-state soil carbon stocks for both models. The models simulations were forced with observationally-based estimates of annual

  7. Density-based Energy Decomposition Analysis for Intermolecular Interactions with Variationally Determined Intermediate State Energies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Q.; Ayers, P.W.; Zhang, Y.

    2009-10-28

    The first purely density-based energy decomposition analysis (EDA) for intermolecular binding is developed within the density functional theory. The most important feature of this scheme is to variationally determine the frozen density energy, based on a constrained search formalism and implemented with the Wu-Yang algorithm [Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003) ]. This variational process dispenses with the Heitler-London antisymmetrization of wave functions used in most previous methods and calculates the electrostatic and Pauli repulsion energies together without any distortion of the frozen density, an important fact that enables a clean separation of these twomore » terms from the relaxation (i.e., polarization and charge transfer) terms. The new EDA also employs the constrained density functional theory approach [Q. Wu and T. Van Voorhis, Phys. Rev. A 72, 24502 (2005)] to separate out charge transfer effects. Because the charge transfer energy is based on the density flow in real space, it has a small basis set dependence. Applications of this decomposition to hydrogen bonding in the water dimer and the formamide dimer show that the frozen density energy dominates the binding in these systems, consistent with the noncovalent nature of the interactions. A more detailed examination reveals how the interplay of electrostatics and the Pauli repulsion determines the distance and angular dependence of these hydrogen bonds.« less

  8. Unified mechanism of alkali and alkaline earth catalyzed gasification reactions of carbon by CO2 and H2O

    USGS Publications Warehouse

    Chen, S.G.; Yang, R.T.

    1997-01-01

    From molecular orbital calculations, a unified mechanism is proposed for the gasification reactions of graphite by CO2 and H2O, both uncatalyzed and catalyzed by alkali and alkaline earth catalysts. In this mechanism, there are two types of oxygen intermediates that are bonded to the active edge carbon atoms: an in-plane semiquinone type, Cf(O), and an off-plane oxygen bonded to two saturated carbon atoms that are adjacent to the semiquinone species, C(O)Cf(O). The rate-limiting step is the decomposition of these intermediates by breaking the C-C bonds that are connected to Cf(O). A new rate equation is derived for the uncatalyzed reactions, and that for the catalyzed reactions is readily available from the proposed mechanism. The proposed mechanism can account for several unresolved experimental observations: TPD and TK (transient kinetics) desorption results of the catalyzed systems, the similar activation energies for the uncatalyzed and catalyzed reactions, and the relative activities of the alkali and alkaline earth elements. The net charge of the edge carbon active site is substantially changed by gaining electron density from the alkali or alkaline earth element (by forming C-O-M, where M stands for metal). The relative catalytic activities of these elements can be correlated with their abilities of donating electrons and changing the net charge of the edge carbon atom. As shown previously (Chen, S. G.; Yang, R. T. J. Catal. 1993, 141, 102), only clusters of the alkali compounds are active. This derives from the ability of the clusters to dissociate CO2 and H2O to form O atoms and the mobility of the dissociated O atoms facilitated by the clusters.

  9. Combining DCQGMP-Based Sparse Decomposition and MPDR Beamformer for Multi-Type Interferences Mitigation for GNSS Receivers.

    PubMed

    Guo, Qiang; Qi, Liangang

    2017-04-10

    In the coexistence of multiple types of interfering signals, the performance of interference suppression methods based on time and frequency domains is degraded seriously, and the technique using an antenna array requires a large enough size and huge hardware costs. To combat multi-type interferences better for GNSS receivers, this paper proposes a cascaded multi-type interferences mitigation method combining improved double chain quantum genetic matching pursuit (DCQGMP)-based sparse decomposition and an MPDR beamformer. The key idea behind the proposed method is that the multiple types of interfering signals can be excised by taking advantage of their sparse features in different domains. In the first stage, the single-tone (multi-tone) and linear chirp interfering signals are canceled by sparse decomposition according to their sparsity in the over-complete dictionary. In order to improve the timeliness of matching pursuit (MP)-based sparse decomposition, a DCQGMP is introduced by combining an improved double chain quantum genetic algorithm (DCQGA) and the MP algorithm, and the DCQGMP algorithm is extended to handle the multi-channel signals according to the correlation among the signals in different channels. In the second stage, the minimum power distortionless response (MPDR) beamformer is utilized to nullify the residuary interferences (e.g., wideband Gaussian noise interferences). Several simulation results show that the proposed method can not only improve the interference mitigation degree of freedom (DoF) of the array antenna, but also effectively deal with the interference arriving from the same direction with the GNSS signal, which can be sparse represented in the over-complete dictionary. Moreover, it does not bring serious distortions into the navigation signal.

  10. Combining DCQGMP-Based Sparse Decomposition and MPDR Beamformer for Multi-Type Interferences Mitigation for GNSS Receivers

    PubMed Central

    Guo, Qiang; Qi, Liangang

    2017-01-01

    In the coexistence of multiple types of interfering signals, the performance of interference suppression methods based on time and frequency domains is degraded seriously, and the technique using an antenna array requires a large enough size and huge hardware costs. To combat multi-type interferences better for GNSS receivers, this paper proposes a cascaded multi-type interferences mitigation method combining improved double chain quantum genetic matching pursuit (DCQGMP)-based sparse decomposition and an MPDR beamformer. The key idea behind the proposed method is that the multiple types of interfering signals can be excised by taking advantage of their sparse features in different domains. In the first stage, the single-tone (multi-tone) and linear chirp interfering signals are canceled by sparse decomposition according to their sparsity in the over-complete dictionary. In order to improve the timeliness of matching pursuit (MP)-based sparse decomposition, a DCQGMP is introduced by combining an improved double chain quantum genetic algorithm (DCQGA) and the MP algorithm, and the DCQGMP algorithm is extended to handle the multi-channel signals according to the correlation among the signals in different channels. In the second stage, the minimum power distortionless response (MPDR) beamformer is utilized to nullify the residuary interferences (e.g., wideband Gaussian noise interferences). Several simulation results show that the proposed method can not only improve the interference mitigation degree of freedom (DoF) of the array antenna, but also effectively deal with the interference arriving from the same direction with the GNSS signal, which can be sparse represented in the over-complete dictionary. Moreover, it does not bring serious distortions into the navigation signal. PMID:28394290

  11. Performance impact of stop lists and morphological decomposition on word-word corpus-based semantic space models.

    PubMed

    Keith, Jeff; Westbury, Chris; Goldman, James

    2015-09-01

    Corpus-based semantic space models, which primarily rely on lexical co-occurrence statistics, have proven effective in modeling and predicting human behavior in a number of experimental paradigms that explore semantic memory representation. The most widely studied extant models, however, are strongly influenced by orthographic word frequency (e.g., Shaoul & Westbury, Behavior Research Methods, 38, 190-195, 2006). This has the implication that high-frequency closed-class words can potentially bias co-occurrence statistics. Because these closed-class words are purported to carry primarily syntactic, rather than semantic, information, the performance of corpus-based semantic space models may be improved by excluding closed-class words (using stop lists) from co-occurrence statistics, while retaining their syntactic information through other means (e.g., part-of-speech tagging and/or affixes from inflected word forms). Additionally, very little work has been done to explore the effect of employing morphological decomposition on the inflected forms of words in corpora prior to compiling co-occurrence statistics, despite (controversial) evidence that humans perform early morphological decomposition in semantic processing. In this study, we explored the impact of these factors on corpus-based semantic space models. From this study, morphological decomposition appears to significantly improve performance in word-word co-occurrence semantic space models, providing some support for the claim that sublexical information-specifically, word morphology-plays a role in lexical semantic processing. An overall decrease in performance was observed in models employing stop lists (e.g., excluding closed-class words). Furthermore, we found some evidence that weakens the claim that closed-class words supply primarily syntactic information in word-word co-occurrence semantic space models.

  12. Copper(II)-catalyzed trifluoromethylation of N-aryl imines.

    PubMed

    Zhang, Yong-Qiang; Liu, Ji-Dan; Xu, Hao

    2013-10-07

    Methods for imine trifluoromethylation are of great importance because amines with trifluoromethylated stereogenic centers are useful building blocks for synthetic chemistry and drug discovery. Herein, we describe a new copper(II)-catalyzed imine trifluoromethylation method without the use of Lewis base activators, presumably through cooperative activation.

  13. Primary decomposition of zero-dimensional ideals over finite fields

    NASA Astrophysics Data System (ADS)

    Gao, Shuhong; Wan, Daqing; Wang, Mingsheng

    2009-03-01

    A new algorithm is presented for computing primary decomposition of zero-dimensional ideals over finite fields. Like Berlekamp's algorithm for univariate polynomials, the new method is based on the invariant subspace of the Frobenius map acting on the quotient algebra. The dimension of the invariant subspace equals the number of primary components, and a basis of the invariant subspace yields a complete decomposition. Unlike previous approaches for decomposing multivariate polynomial systems, the new method does not need primality testing nor any generic projection, instead it reduces the general decomposition problem directly to root finding of univariate polynomials over the ground field. Also, it is shown how Groebner basis structure can be used to get partial primary decomposition without any root finding.

  14. Data-Driven Microbial Modeling for Soil Carbon Decomposition and Stabilization

    NASA Astrophysics Data System (ADS)

    Luo, Yiqi; Chen, Ji; Chen, Yizhao; Feng, Wenting

    2017-04-01

    Microorganisms have long been known to catalyze almost all the soil organic carbon (SOC) transformation processes (e.g., decomposition, stabilization, and mineralization). Representing microbial processes in Earth system models (ESMs) has the potential to improve projections of SOC dynamics. We have recently examined (1) relationships of microbial functions with environmental factors and (2) microbial regulations of decomposition and other key soil processes. According to three lines of evidence, we have developed a data-driven enzyme (DENZY) model to simulate soil microbial decomposition and stabilization. First, our meta-analysis of 64 published field studies showed that field experimental warming significantly increased soil microbial communities abundance, which is negatively correlated with the mean annual temperature. The negative correlation indicates that warming had stronger effects in colder than warmer regions. Second, we found that the SOC decomposition, especially the transfer between labile SOC and protected SOC, is nonlinearly regulated by soil texture parameters, such as sand and silt contents. Third, we conducted a global analysis of the C-degrading enzyme activities, soil respiration, and SOC content under N addition. Our results show that N addition has contrasting effects on cellulase (hydrolytic C-degrading enzymes) and ligninase (oxidative C-degrading enzymes) activities. N-enhanced cellulase activity contributes to the minor stimulation of soil respiration whereas N-induced repression on ligninase activity drives soil C sequestration. Our analysis links the microbial extracellular C-degrading enzymes to the SOC dynamics at ecosystem scales across scores of experimental sites around the world. It offers direct evidence that N-induced changes in microbial community and physiology play fundamental roles in controlling the soil C cycle. Built upon those three lines of empirical evidence, the DENZY model includes two enzyme pools and explicitly

  15. Base-Catalyzed Depolymerization of Biorefinery Lignins

    DOE PAGES

    Katahira, Rui; Mittal, Ashutosh; McKinney, Kellene; ...

    2016-01-12

    Lignocellulosic biorefineries will produce a substantial pool of lignin-enriched residues, which are currently slated to be burned for heat and power. Going forward, however, valorization strategies for residual solid lignin will be essential to the economic viability of modern biorefineries. To achieve these strategies, effective lignin depolymerization processes will be required that can convert specific lignin-enriched biorefinery substrates into products of sufficient value and market size. Base-catalyzed depolymerization (BCD) of lignin using sodium hydroxide and other basic media has been shown to be an effective depolymerization approach when using technical and isolated lignins relevant to the pulp and paper industry.more » Moreover, to gain insights in the application of BCD to lignin-rich, biofuels-relevant residues, here we apply BCD with sodium hydroxide at two catalyst loadings and temperatures of 270, 300, and 330 °C for 40 min to residual biomass from typical and emerging biochemical conversion processes. We obtained mass balances for each fraction from BCD, and characterized the resulting aqueous and solid residues using gel permeation chromatography, NMR, and GC–MS. When taken together, these results indicate that a significant fraction (45–78%) of the starting lignin-rich material can be depolymerized to low molecular weight, water-soluble species. The yield of the aqueous soluble fraction depends significantly on biomass processing method used prior to BCD. Namely, dilute acid pretreatment results in lower water-soluble yields compared to biomass processing that involves no acid pretreatment. We also find that the BCD product selectivity can be tuned with temperature to give higher yields of methoxyphenols at lower temperature, and a higher relative content of benzenediols with a greater extent of alkylation on the aromatic rings at higher temperature. Our study shows that residual, lignin-rich biomass produced from conventional and

  16. Base-Catalyzed Depolymerization of Biorefinery Lignins

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Katahira, Rui; Mittal, Ashutosh; McKinney, Kellene

    Lignocellulosic biorefineries will produce a substantial pool of lignin-enriched residues, which are currently slated to be burned for heat and power. Going forward, however, valorization strategies for residual solid lignin will be essential to the economic viability of modern biorefineries. To achieve these strategies, effective lignin depolymerization processes will be required that can convert specific lignin-enriched biorefinery substrates into products of sufficient value and market size. Base-catalyzed depolymerization (BCD) of lignin using sodium hydroxide and other basic media has been shown to be an effective depolymerization approach when using technical and isolated lignins relevant to the pulp and paper industry.more » Moreover, to gain insights in the application of BCD to lignin-rich, biofuels-relevant residues, here we apply BCD with sodium hydroxide at two catalyst loadings and temperatures of 270, 300, and 330 °C for 40 min to residual biomass from typical and emerging biochemical conversion processes. We obtained mass balances for each fraction from BCD, and characterized the resulting aqueous and solid residues using gel permeation chromatography, NMR, and GC–MS. When taken together, these results indicate that a significant fraction (45–78%) of the starting lignin-rich material can be depolymerized to low molecular weight, water-soluble species. The yield of the aqueous soluble fraction depends significantly on biomass processing method used prior to BCD. Namely, dilute acid pretreatment results in lower water-soluble yields compared to biomass processing that involves no acid pretreatment. We also find that the BCD product selectivity can be tuned with temperature to give higher yields of methoxyphenols at lower temperature, and a higher relative content of benzenediols with a greater extent of alkylation on the aromatic rings at higher temperature. Our study shows that residual, lignin-rich biomass produced from conventional and

  17. A parallel domain decomposition-based implicit method for the Cahn–Hilliard–Cook phase-field equation in 3D

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zheng, Xiang; Yang, Chao; State Key Laboratory of Computer Science, Chinese Academy of Sciences, Beijing 100190

    2015-03-15

    We present a numerical algorithm for simulating the spinodal decomposition described by the three dimensional Cahn–Hilliard–Cook (CHC) equation, which is a fourth-order stochastic partial differential equation with a noise term. The equation is discretized in space and time based on a fully implicit, cell-centered finite difference scheme, with an adaptive time-stepping strategy designed to accelerate the progress to equilibrium. At each time step, a parallel Newton–Krylov–Schwarz algorithm is used to solve the nonlinear system. We discuss various numerical and computational challenges associated with the method. The numerical scheme is validated by a comparison with an explicit scheme of high accuracymore » (and unreasonably high cost). We present steady state solutions of the CHC equation in two and three dimensions. The effect of the thermal fluctuation on the spinodal decomposition process is studied. We show that the existence of the thermal fluctuation accelerates the spinodal decomposition process and that the final steady morphology is sensitive to the stochastic noise. We also show the evolution of the energies and statistical moments. In terms of the parallel performance, it is found that the implicit domain decomposition approach scales well on supercomputers with a large number of processors.« less

  18. Computational Elucidation of Selectivities and Mechanisms Performed by Organometallic and Bioinorganic Catalysts

    NASA Astrophysics Data System (ADS)

    Grandner, Jessica Marie

    Computational methods were used to determine the mechanisms and selectivities of organometallic-catalyzed reactions. The first half of the dissertation focuses on the study of metathesis catalysts in collaboration with the Grubbs group at CalTech. Chapter 1 describes the studies of the decomposition modes of several ruthenium-based metathesis catalysts. These studies were performed to better understand the decomposition of such catalysts in order to prevent decomposition (Chapter 1.2) or utilize decomposed catalysts for alternative reactions (Chapter 1.1). Chapter 2.1 describes the computational investigation of the origins of stereoretentive metathesis with ruthenium-based metathesis catalysts. These findings were then used to computationally design E-selective metathesis catalysts (Chapter 2.2). While the first half of the dissertation was centered around ruthenium catalysts, the second half of the dissertation pertains to iron-catalyzed reaction, in particular, iron-catalyzed reactions by P450 enzymes. The elements of Chapter 3 concentrate on the stereo- and chemo-selectivity of P450-catalyzed C-H hydroxylations. By combining multiple computational methods, the inherent activity of the iron-oxo catalyst and the influence of the active site on such reactions were illuminated. These discoveries allow for the engineering of new substrates and mutant enzymes for tailored C-H hydroxylation. While the mechanism of C-H hydroxylations catalyzed by P450 enzymes has been well studied, there are several P450-catalyzed transformations for which the mechanism is unknown. The components of Chapter 4 describe the use of computations to determine the mechanisms of complex, multi-step reactions catalyzed by P450s. The determination of these mechanisms elucidates how these enzymes react with various functional groups and substrate architectures and allows for a better understanding of how drug-like compounds may be broken down by human P450s.

  19. Decomposition of sulfamethoxazole and trimethoprim by continuous UVA/LED/TiO2 photocatalysis: Decomposition pathways, residual antibacterial activity and toxicity.

    PubMed

    Cai, Qinqing; Hu, Jiangyong

    2017-02-05

    In this study, continuous LED/UVA/TiO 2 photocatalytic decomposition of sulfamethoxazole (SMX) and trimethoprim (TMP) was investigated. More than 90% of SMX and TMP were removed within 20min by the continuous photoreactor (with the initial concentration of 400ppb for each). The removal rates of SMX and TMP decreased with higher initial antibiotics loadings. SMX was much easier decomposed in acidic condition, while pH affected little on TMP's decomposition. 0.003% was found to be the optimum H 2 O 2 dosage to enhance SMX photocatalytic decomposition. Decomposition pathways of SMX and TMP were proposed based on the intermediates identified by using LC-MS-MS and GC-MS. Aniline was identified as a new intermediate generated during SMX photocatalytic decomposition. Antibacterial activity study with a reference Escherichia coli strain was also conducted during the photocatalytic process. Results indicated that with every portion of TMP removed, the residual antibacterial activity decreased by one portion. However, the synergistic effect between SMX and TMP tended to slow down the antibacterial activity removal of SMX and TMP mixture. Chronic toxicity studies conducted with Vibrio fischeri exhibited 13-20% bioluminescence inhibition during the decomposition of 1ppm SMX and 1ppm TMP, no acute toxicity to V. fischeri was observed during the photocatalytic process. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Heterogeneously Catalyzed Endothermic Fuel Cracking

    DTIC Science & Technology

    2016-08-28

    Much of this literature is in the context of gas -to- liquids technology and industrial dehydrogenation processes. Based on the published measurements...certain zeolites. Comparisons of conversion, major product distributions and molecular weight growth processes in the gas -phase pyrolysis of model...thereby maximizing the extent of cooling, (b) increase catalyst activity for fuel decomposition, but inhibit gas -phase molecular weight growth

  1. Nickel-catalyzed cross-coupling of photoredox-generated radicals: uncovering a general manifold for stereoconvergence in nickel-catalyzed cross-couplings.

    PubMed

    Gutierrez, Osvaldo; Tellis, John C; Primer, David N; Molander, Gary A; Kozlowski, Marisa C

    2015-04-22

    The cross-coupling of sp(3)-hybridized organoboron reagents via photoredox/nickel dual catalysis represents a new paradigm of reactivity for engaging alkylmetallic reagents in transition-metal-catalyzed processes. Reported here is an investigation into the mechanistic details of this important transformation using density functional theory. Calculations bring to light a new reaction pathway involving an alkylnickel(I) complex generated by addition of an alkyl radical to Ni(0) that is likely to operate simultaneously with the previously proposed mechanism. Analysis of the enantioselective variant of the transformation reveals an unexpected manifold for stereoinduction involving dynamic kinetic resolution (DKR) of a Ni(III) intermediate wherein the stereodetermining step is reductive elimination. Furthermore, calculations suggest that the DKR-based stereoinduction manifold may be responsible for stereoselectivity observed in numerous other stereoconvergent Ni-catalyzed cross-couplings and reductive couplings.

  2. Lossless and Sufficient - Invariant Decomposition of Deterministic Target

    NASA Astrophysics Data System (ADS)

    Paladini, Riccardo; Ferro Famil, Laurent; Pottier, Eric; Martorella, Marco; Berizzi, Fabrizio

    2011-03-01

    The symmetric radar scattering matrix of a reciprocal target is projected on the circular polarization basis and is decomposed into four orientation invariant parameters, relative phase and relative orientation. The physical interpretation of this results is found in the wave-particle nature of radar scattering due to the circular polarization nature of elemental packets of energy. The proposed decomposition, is based on left orthogonal to left Special Unitary basis, providing the target description in term of a unitary vector. A comparison between the proposed CTD and Cameron, Kennaugh and Krogager decompositions is also pointed out. A validation by the use of both anechoic chamber data and airborne EMISAR data of DTU is used to show the effectiveness of this decomposition for the analysis of coherent targets. In the second paper we will show the application of the rotation group U(3) for the decomposition of distributed targets into nine meaningful parameters.

  3. Unsymmetrical hybrid ferrocene-based phosphine-phosphoramidites: a new class of practical ligands for Rh-catalyzed asymmetric hydrogenation.

    PubMed

    Hu, Xiang-Ping; Zheng, Zhuo

    2004-09-30

    [reaction: see text] The synthesis and application of a new family of air-stable, highly unsymmetrical ferrocene-based phosphine-phosphoramidites is described. The new ligands exhibit excellent enantioselectivities (over 99% ee) in the Rh-catalyzed asymmetric hydrogenation of enamides, dimethyl itaconate, and methyl (Z)-acetamidocinnamate even with high catalyst turnovers (S/C=10,000). The binaphthyl moiety is crucial for reactivity and enantioselectivity, and its absolute configuration plays a dominant role in determining the chirality of the hydrogenation products.

  4. Lewis base catalyzed 1,3-dithiane addition to carbonyl and imino compounds using 2-trimethylsilyl-1,3-dithiane.

    PubMed

    Michida, Makoto; Mukaiyama, Teruaki

    2008-09-01

    Lewis base-catalyzed 1,3-dithiane addition to electrophiles such as carbonyl compounds and N-substituted aldimines with 2-trimethylsilyl-1,3-dithiane (TMS-dithiane) is described. By the activation of the carbon-silicon bond in the presence of a Lewis base catalyst such as tetrabutylammonium phenoxide (PhONnBu(4)), a 1,3-dithiane addition reaction proceeded smoothly to afford the corresponding adducts in good to high yields under mild conditions. This synthesis is also applied to the reactions of ketones having alpha-protons, and of N-substituted aldimines.

  5. Catalyzed D-D stellarator reactor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sheffield, John; Spong, Donald A.

    The advantages of using the catalyzed deuterium-deuterium (D-D) approach for a fusion reactor—lower and less energetic neutron flux and no need for a tritium breeding blanket—have been evaluated in previous papers, giving examples of both tokamak and stellarator reactors. This paper presents an update for the stellarator example, taking account of more recent empirical transport scaling results and design studies of lower-aspect-ratio stellarators. We use a modified version of the Generic Magnetic Fusion Reactor model to cost a stellarator-type reactor. Recently, this model has been updated to reflect the improved science and technology base and costs in the magnetic fusionmore » program. Furthermore, it is shown that an interesting catalyzed D-D, stellarator power plant might be possible if the following parameters could be achieved: R/ ≈ 4, required improvement factor to ISS04 scaling, F R = 0.9 to 1.15, ≈ 8.0% to 11.5%, Z eff ≈ 1.45 plus a relativistic temperature correction, fraction of fast ions lost ≈ 0.07, B m ≈ 14 to 16 T, and R ≈ 18 to 24 m.« less

  6. Catalyzed D-D stellarator reactor

    DOE PAGES

    Sheffield, John; Spong, Donald A.

    2016-05-12

    The advantages of using the catalyzed deuterium-deuterium (D-D) approach for a fusion reactor—lower and less energetic neutron flux and no need for a tritium breeding blanket—have been evaluated in previous papers, giving examples of both tokamak and stellarator reactors. This paper presents an update for the stellarator example, taking account of more recent empirical transport scaling results and design studies of lower-aspect-ratio stellarators. We use a modified version of the Generic Magnetic Fusion Reactor model to cost a stellarator-type reactor. Recently, this model has been updated to reflect the improved science and technology base and costs in the magnetic fusionmore » program. Furthermore, it is shown that an interesting catalyzed D-D, stellarator power plant might be possible if the following parameters could be achieved: R/ ≈ 4, required improvement factor to ISS04 scaling, F R = 0.9 to 1.15, ≈ 8.0% to 11.5%, Z eff ≈ 1.45 plus a relativistic temperature correction, fraction of fast ions lost ≈ 0.07, B m ≈ 14 to 16 T, and R ≈ 18 to 24 m.« less

  7. Three-Component Decomposition of Polarimetric SAR Data Integrating Eigen-Decomposition Results

    NASA Astrophysics Data System (ADS)

    Lu, Da; He, Zhihua; Zhang, Huan

    2018-01-01

    This paper presents a novel three-component scattering power decomposition of polarimetric SAR data. There are two problems in three-component decomposition method: volume scattering component overestimation in urban areas and artificially set parameter to be a fixed value. Though volume scattering component overestimation can be partly solved by deorientation process, volume scattering still dominants some oriented urban areas. The speckle-like decomposition results introduced by artificially setting value are not conducive to further image interpretation. This paper integrates the results of eigen-decomposition to solve the aforementioned problems. Two principal eigenvectors are used to substitute the surface scattering model and the double bounce scattering model. The decomposed scattering powers are obtained using a constrained linear least-squares method. The proposed method has been verified using an ESAR PolSAR image, and the results show that the proposed method has better performance in urban area.

  8. Lysophosphatidylcholine synthesis by lipase-catalyzed ethanolysis.

    PubMed

    Yang, Guolong; Yang, Ruoxi; Hu, Jingbo

    2015-01-01

    Lysophosphatidylcholine (LPC) is amphiphilic substance, and possesses excellent physiological functions. In this study, LPC was prepared through ethanolysis of phosphatidylcholine (PC) in n-hexane or solvent free media catalyzed by Novozym 435 (from Candida antarctica), Lipozyme TLIM (from Thermomcyces lanuginosus) and Lipozyme RMIM (from Rhizomucor miehei). The results showed that three immobilized lipases from Candida Antarctica, Thermomcyces lanuginosus and Rhizomucor miehei could catalyze ethanolysis of PC efficiently. In n-hexane, the LPC conversions of ethanolysis of PC catalyzed by Novozyme 435, Lipozyme TLIM and Lipozyme RMIM could reach to 98.5 ± 1.6%, 94.6 ± 1.4% and 93.7 ± 1.8%, respectively. In solvent free media, the highest LPC conversions of ethanolysis of PC catalyzed by Novozyme 435, Lipozyme TL IM and Lipozyme RM IM were 97.7 ± 1.7%, 93.5 ± 1.2% and 93.8 ± 1.9%, respectively. The catalytic efficiencies of the three lipases were in the order of Novozyme 435 > Lipozyme TLIM > Lipozyme RMIM. Furthermore, their catalytic efficiencies in n-hexane were better than those in solvent free media.

  9. Applications of Palladium-Catalyzed C-N Cross-Coupling Reactions.

    PubMed

    Ruiz-Castillo, Paula; Buchwald, Stephen L

    2016-10-12

    Pd-catalyzed cross-coupling reactions that form C-N bonds have become useful methods to synthesize anilines and aniline derivatives, an important class of compounds throughout chemical research. A key factor in the widespread adoption of these methods has been the continued development of reliable and versatile catalysts that function under operationally simple, user-friendly conditions. This review provides an overview of Pd-catalyzed N-arylation reactions found in both basic and applied chemical research from 2008 to the present. Selected examples of C-N cross-coupling reactions between nine classes of nitrogen-based coupling partners and (pseudo)aryl halides are described for the synthesis of heterocycles, medicinally relevant compounds, natural products, organic materials, and catalysts.

  10. Applications of Palladium-Catalyzed C–N Cross-Coupling Reactions

    PubMed Central

    2016-01-01

    Pd-catalyzed cross-coupling reactions that form C–N bonds have become useful methods to synthesize anilines and aniline derivatives, an important class of compounds throughout chemical research. A key factor in the widespread adoption of these methods has been the continued development of reliable and versatile catalysts that function under operationally simple, user-friendly conditions. This review provides an overview of Pd-catalyzed N-arylation reactions found in both basic and applied chemical research from 2008 to the present. Selected examples of C–N cross-coupling reactions between nine classes of nitrogen-based coupling partners and (pseudo)aryl halides are described for the synthesis of heterocycles, medicinally relevant compounds, natural products, organic materials, and catalysts. PMID:27689804

  11. Energetic contaminants inhibit plant litter decomposition in soil.

    PubMed

    Kuperman, Roman G; Checkai, Ronald T; Simini, Michael; Sunahara, Geoffrey I; Hawari, Jalal

    2018-05-30

    Individual effects of nitrogen-based energetic materials (EMs) 2,4-dinitrotoluene (2,4-DNT), 2-amino-4,6-dinitrotoluene (2-ADNT), 4-amino-2,6-dinitrotoluene (4-ADNT), nitroglycerin (NG), and 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20) on litter decomposition, an essential biologically-mediated soil process, were assessed using Orchard grass (Dactylis glomerata) straw in Sassafras sandy loam (SSL) soil, which has physicochemical characteristics that support "very high" qualitative relative bioavailability for organic chemicals. Batches of SSL soil were separately amended with individual EMs or acetone carrier control. To quantify the decomposition rates, one straw cluster was harvested from a set of randomly selected replicate containers from within each treatment, after 1, 2, 3, 4, 6, and 8 months of exposure. Results showed that soil amended with 2,4-DNT or NG inhibited litter decomposition rates based on the median effective concentration (EC50) values of 1122 mg/kg and 860 mg/kg, respectively. Exposure to 2-ADNT, 4-ADNT or CL-20 amended soil did not significantly affect litter decomposition in SSL soil at ≥ 10,000 mg/kg. These ecotoxicological data will be helpful in identifying concentrations of EMs in soil that present an acceptable ecological risk for biologically-mediated soil processes. Published by Elsevier Inc.

  12. Occurrence and Characteristics of a Rapid Exchange of Phosphate Oxygens Catalyzed by Sarcoplasmic Reticulum Vesicles

    DOE R&D Accomplishments Database

    Kanazawa, T.; Boyer, P. D.

    1972-01-01

    Sarcoplasmic reticulum vesicles isolated from skeletal muscle actively take up Ca{sup ++} from the medium in the presence of Mg{sup ++} and ATP. This transport is coupled to ATP hydrolysis catalyzed by membrane-bound Ca{sup++}, Mg{sup ++}-ATPase which is activated by concurrent presence of Ca{sup ++} and Mg{sup ++}. Considerable informations have accumulated that give insight into the ATPase and its coupling to the calcium transport. The hydrolysis of ATP by this enzyme occurs through a phosphorylated intermediate. Formation and decomposition of the intermediate show vectorial requirements for Ca{sup ++} and Mg{sup ++}, suggesting an intimate involvement of the intermediate in the transport process. ATP synthesis from P{sub i} and ADP coupled to outflow of Ca{sup ++} from sarcoplasmic reticulum vesicles has recently been demonstrated. This indicates the reversibility of the entire process of calcium transport in sarcoplasmic reticulum vesicles.

  13. Mechanistic insights into the rhenium-catalyzed alcohol-to-olefin dehydration reaction.

    PubMed

    Korstanje, Ties J; Jastrzebski, Johann T B H; Klein Gebbink, Robertus J M

    2013-09-23

    Rhenium-based complexes are powerful catalysts for the dehydration of various alcohols to the corresponding olefins. Here, we report on both experimental and theoretical (DFT) studies into the mechanism of the rhenium-catalyzed dehydration of alcohols to olefins in general, and the methyltrioxorhenium-catalyzed dehydration of 1-phenylethanol to styrene in particular. The experimental and theoretical studies are in good agreement, both showing the involvement of several proton transfers, and of a carbenium ion intermediate in the catalytic cycle. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Domain decomposition: A bridge between nature and parallel computers

    NASA Technical Reports Server (NTRS)

    Keyes, David E.

    1992-01-01

    Domain decomposition is an intuitive organizing principle for a partial differential equation (PDE) computation, both physically and architecturally. However, its significance extends beyond the readily apparent issues of geometry and discretization, on one hand, and of modular software and distributed hardware, on the other. Engineering and computer science aspects are bridged by an old but recently enriched mathematical theory that offers the subject not only unity, but also tools for analysis and generalization. Domain decomposition induces function-space and operator decompositions with valuable properties. Function-space bases and operator splittings that are not derived from domain decompositions generally lack one or more of these properties. The evolution of domain decomposition methods for elliptically dominated problems has linked two major algorithmic developments of the last 15 years: multilevel and Krylov methods. Domain decomposition methods may be considered descendants of both classes with an inheritance from each: they are nearly optimal and at the same time efficiently parallelizable. Many computationally driven application areas are ripe for these developments. A progression is made from a mathematically informal motivation for domain decomposition methods to a specific focus on fluid dynamics applications. To be introductory rather than comprehensive, simple examples are provided while convergence proofs and algorithmic details are left to the original references; however, an attempt is made to convey their most salient features, especially where this leads to algorithmic insight.

  15. Variance decomposition in stochastic simulators.

    PubMed

    Le Maître, O P; Knio, O M; Moraes, A

    2015-06-28

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  16. Variance decomposition in stochastic simulators

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Le Maître, O. P., E-mail: olm@limsi.fr; Knio, O. M., E-mail: knio@duke.edu; Moraes, A., E-mail: alvaro.moraesgutierrez@kaust.edu.sa

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance.more » Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.« less

  17. Variance decomposition in stochastic simulators

    NASA Astrophysics Data System (ADS)

    Le Maître, O. P.; Knio, O. M.; Moraes, A.

    2015-06-01

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  18. WEALTH-BASED INEQUALITY IN CHILD IMMUNIZATION IN INDIA: A DECOMPOSITION APPROACH.

    PubMed

    Debnath, Avijit; Bhattacharjee, Nairita

    2018-05-01

    SummaryDespite years of health and medical advancement, children still suffer from infectious diseases that are vaccine preventable. India reacted in 1978 by launching the Expanded Programme on Immunization in an attempt to reduce the incidence of vaccine-preventable diseases (VPDs). Although the nation has made remarkable progress over the years, there is significant variation in immunization coverage across different socioeconomic strata. This study attempted to identify the determinants of wealth-based inequality in child immunization using a new, modified method. The present study was based on 11,001 eligible ever-married women aged 15-49 and their children aged 12-23 months. Data were from the third District Level Household and Facility Survey (DLHS-3) of India, 2007-08. Using an approximation of Erreyger's decomposition technique, the study identified unequal access to antenatal care as the main factor associated with inequality in immunization coverage in India.

  19. Factors Affecting Regional Per-Capita Carbon Emissions in China Based on an LMDI Factor Decomposition Model

    PubMed Central

    Dong, Feng; Long, Ruyin; Chen, Hong; Li, Xiaohui; Yang, Qingliang

    2013-01-01

    China is considered to be the main carbon producer in the world. The per-capita carbon emissions indicator is an important measure of the regional carbon emissions situation. This study used the LMDI factor decomposition model–panel co-integration test two-step method to analyze the factors that affect per-capita carbon emissions. The main results are as follows. (1) During 1997, Eastern China, Central China, and Western China ranked first, second, and third in the per-capita carbon emissions, while in 2009 the pecking order changed to Eastern China, Western China, and Central China. (2) According to the LMDI decomposition results, the key driver boosting the per-capita carbon emissions in the three economic regions of China between 1997 and 2009 was economic development, and the energy efficiency was much greater than the energy structure after considering their effect on restraining increased per-capita carbon emissions. (3) Based on the decomposition, the factors that affected per-capita carbon emissions in the panel co-integration test showed that Central China had the best energy structure elasticity in its regional per-capita carbon emissions. Thus, Central China was ranked first for energy efficiency elasticity, while Western China was ranked first for economic development elasticity. PMID:24353753

  20. Factors affecting regional per-capita carbon emissions in China based on an LMDI factor decomposition model.

    PubMed

    Dong, Feng; Long, Ruyin; Chen, Hong; Li, Xiaohui; Yang, Qingliang

    2013-01-01

    China is considered to be the main carbon producer in the world. The per-capita carbon emissions indicator is an important measure of the regional carbon emissions situation. This study used the LMDI factor decomposition model-panel co-integration test two-step method to analyze the factors that affect per-capita carbon emissions. The main results are as follows. (1) During 1997, Eastern China, Central China, and Western China ranked first, second, and third in the per-capita carbon emissions, while in 2009 the pecking order changed to Eastern China, Western China, and Central China. (2) According to the LMDI decomposition results, the key driver boosting the per-capita carbon emissions in the three economic regions of China between 1997 and 2009 was economic development, and the energy efficiency was much greater than the energy structure after considering their effect on restraining increased per-capita carbon emissions. (3) Based on the decomposition, the factors that affected per-capita carbon emissions in the panel co-integration test showed that Central China had the best energy structure elasticity in its regional per-capita carbon emissions. Thus, Central China was ranked first for energy efficiency elasticity, while Western China was ranked first for economic development elasticity.

  1. Biotransformation of hexahydro-1,3,5-trinitro-1,3,5-tiazine catalyzed by a NAD(P)H: nitrate oxidoreductase from Aspergillus niger.

    PubMed

    Bhushan, Bharat; Halasz, Annamaria; Spain, Jim; Thiboutot, Sonia; Ampleman, Guy; Hawari, Jalal

    2002-07-15

    Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) can be efficiently mineralized with anaerobic domestic sludge, but the initial enzymatic processes involved in its transformation are unknown. To test the hypothesis that the initial reaction involves reduction of nitro group(s), we designed experiments to test the ability of a nitrate reductase (EC 1.6.6.2) to catalyze the initial reaction leading to ring cleavage and subsequent decomposition. A nitrate reductase from Aspergillus niger catalyzed the biotransformation of RDX most effectively at pH 7.0 and 30 degrees C under anaerobic conditions using NADPH as electron donor. LC/MS (ES-) chromatograms showed the formation of hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and methylenedinitramine as key initial products of RDX, but neither the dinitroso neither (DNX) nor trinitroso (TNX) derivatives were observed. None of the above detected products persisted, and their disappearance was accompanied by the accumulation of nitrous oxide (N20), formaldehyde (HCHO), and ammonium ion (NH4+). Stoichiometric studies showed that three NADPH molecules were consumed, and one molecule of methylenedinitramine was produced per RDX molecule. The carbon and nitrogen mass balances were 96.14% and 82.10%, respectively. The stoichiometries and mass balance measurements supported a mechanism involving initial transformation of RDX to MNX via a two-electron reduction mechanism. Subsequent reduction of MNX followed by rapid ring cleavage gave methylenedinitramine which in turn decomposed in water to produce quantitatively N2O and HCHO. The results clearly indicate that an initial reduction of a nitro group by nitrate reductase is sufficient for the decomposition of RDX.

  2. Controllable pneumatic generator based on the catalytic decomposition of hydrogen peroxide

    NASA Astrophysics Data System (ADS)

    Kim, Kyung-Rok; Kim, Kyung-Soo; Kim, Soohyun

    2014-07-01

    This paper presents a novel compact and controllable pneumatic generator that uses hydrogen peroxide decomposition. A fuel micro-injector using a piston-pump mechanism is devised and tested to control the chemical decomposition rate. By controlling the injection rate, the feedback controller maintains the pressure of the gas reservoir at a desired pressure level. Thermodynamic analysis and experiments are performed to demonstrate the feasibility of the proposed pneumatic generator. Using a prototype of the pneumatic generator, it takes 6 s to reach 3.5 bars with a reservoir volume of 200 ml at the room temperature, which is sufficiently rapid and effective to maintain the repetitive lifting of a 1 kg mass.

  3. Controllable pneumatic generator based on the catalytic decomposition of hydrogen peroxide.

    PubMed

    Kim, Kyung-Rok; Kim, Kyung-Soo; Kim, Soohyun

    2014-07-01

    This paper presents a novel compact and controllable pneumatic generator that uses hydrogen peroxide decomposition. A fuel micro-injector using a piston-pump mechanism is devised and tested to control the chemical decomposition rate. By controlling the injection rate, the feedback controller maintains the pressure of the gas reservoir at a desired pressure level. Thermodynamic analysis and experiments are performed to demonstrate the feasibility of the proposed pneumatic generator. Using a prototype of the pneumatic generator, it takes 6 s to reach 3.5 bars with a reservoir volume of 200 ml at the room temperature, which is sufficiently rapid and effective to maintain the repetitive lifting of a 1 kg mass.

  4. Three-pattern decomposition of global atmospheric circulation: part I—decomposition model and theorems

    NASA Astrophysics Data System (ADS)

    Hu, Shujuan; Chou, Jifan; Cheng, Jianbo

    2018-04-01

    In order to study the interactions between the atmospheric circulations at the middle-high and low latitudes from the global perspective, the authors proposed the mathematical definition of three-pattern circulations, i.e., horizontal, meridional and zonal circulations with which the actual atmospheric circulation is expanded. This novel decomposition method is proved to accurately describe the actual atmospheric circulation dynamics. The authors used the NCEP/NCAR reanalysis data to calculate the climate characteristics of those three-pattern circulations, and found that the decomposition model agreed with the observed results. Further dynamical analysis indicates that the decomposition model is more accurate to capture the major features of global three dimensional atmospheric motions, compared to the traditional definitions of Rossby wave, Hadley circulation and Walker circulation. The decomposition model for the first time realized the decomposition of global atmospheric circulation using three orthogonal circulations within the horizontal, meridional and zonal planes, offering new opportunities to study the large-scale interactions between the middle-high latitudes and low latitudes circulations.

  5. Novel syn intramolecular pathway in base-catalyzed 1,2-elimination reactions of beta-acetoxy esters.

    PubMed

    Mohrig, Jerry R; Carlson, Hans K; Coughlin, Jane M; Hofmeister, Gretchen E; McMartin, Lea A; Rowley, Elizabeth G; Trimmer, Elizabeth E; Wild, Andrew J; Schultz, Steve C

    2007-02-02

    As part of a comprehensive investigation of electronic effects on the stereochemistry of base-catalyzed 1,2-elimination reactions, we observed a new syn intramolecular pathway in the elimination of acetic acid from beta-acetoxy esters and thioesters. 1H and 2H NMR investigation of reactions using stereospecifically labeled tert-butyl (2R*,3R*)-3-acetoxy-2,3-2H2-butanoate (1) and its (2R*,3S*) diastereomer (2) shows that 23 +/- 2% syn elimination occurs. The elimination reactions were catalyzed with KOH or (CH3)4NOH in ethanol/water under rigorously non-ion-pairing conditions. By contrast, the more sterically hindered beta-trimethylacetoxy ester produces only 6 +/- 1% syn elimination. These data strongly support an intramolecular (Ei) syn path for elimination of acetic acid, most likely through the oxyanion produced by nucleophilic attack at the carbonyl carbon of the beta-acetoxy group. The analogous thioesters, S-tert-butyl (2R*,3R*)-3-acetoxy-2,3-2H2-butanethioate (3) and its (2R*,3S*) diastereomer (4), showed 18 +/- 2% syn elimination, whereas the beta-trimethylacetoxy substrate gave 5 +/- 1% syn elimination. The more acidic thioester substrates do not produce an increased amount of syn stereoselectivity even though their elimination reactions are at the E1cb interface.

  6. A quantitative acoustic emission study on fracture processes in ceramics based on wavelet packet decomposition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ning, J. G.; Chu, L.; Ren, H. L., E-mail: huilanren@bit.edu.cn

    2014-08-28

    We base a quantitative acoustic emission (AE) study on fracture processes in alumina ceramics on wavelet packet decomposition and AE source location. According to the frequency characteristics, as well as energy and ringdown counts of AE, the fracture process is divided into four stages: crack closure, nucleation, development, and critical failure. Each of the AE signals is decomposed by a 2-level wavelet package decomposition into four different (from-low-to-high) frequency bands (AA{sub 2}, AD{sub 2}, DA{sub 2}, and DD{sub 2}). The energy eigenvalues P{sub 0}, P{sub 1}, P{sub 2}, and P{sub 3} corresponding to these four frequency bands are calculated. Bymore » analyzing changes in P{sub 0} and P{sub 3} in the four stages, we determine the inverse relationship between AE frequency and the crack source size during ceramic fracture. AE signals with regard to crack nucleation can be expressed when P{sub 0} is less than 5 and P{sub 3} more than 60; whereas AE signals with regard to dangerous crack propagation can be expressed when more than 92% of P{sub 0} is greater than 4, and more than 95% of P{sub 3} is less than 45. Geiger location algorithm is used to locate AE sources and cracks in the sample. The results of this location algorithm are consistent with the positions of fractures in the sample when observed under a scanning electronic microscope; thus the locations of fractures located with Geiger's method can reflect the fracture process. The stage division by location results is in a good agreement with the division based on AE frequency characteristics. We find that both wavelet package decomposition and Geiger's AE source locations are suitable for the identification of the evolutionary process of cracks in alumina ceramics.« less

  7. Thermal decomposition of high-nitrogen energetic compounds: TAGzT and GUzT

    NASA Astrophysics Data System (ADS)

    Hayden, Heather F.

    The U.S. Navy is exploring high-nitrogen compounds as burning-rate additives to meet the growing demands of future high-performance gun systems. Two high-nitrogen compounds investigated as potential burning-rate additives are bis(triaminoguanidinium) 5,5-azobitetrazolate (TAGzT) and bis(guanidinium) 5,5'-azobitetrazolate (GUzT). Small-scale tests showed that formulations containing TAGzT exhibit significant increases in the burning rates of RDX-based gun propellants. However, when GUzT, a similarly structured molecule was incorporated into the formulation, there was essentially no effect on the burning rate of the propellant. Through the use of simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and Fourier-Transform ion cyclotron resonance (FTICR) mass spectrometry methods, an investigation of the underlying chemical and physical processes that control the thermal decomposition behavior of TAGzT and GUzT alone and in the presence of RDX, was conducted. The objective was to determine why GUzT is not as good a burning-rate enhancer in RDX-based gun propellants as compared to TAGzT. The results show that TAGzT is an effective burning-rate modifier in the presence of RDX because the decomposition of TAGzT alters the initial stages of the decomposition of RDX. Hydrazine, formed in the decomposition of TAGzT, reacts faster with RDX than RDX can decompose itself. The reactions occur at temperatures below the melting point of RDX and thus the TAGzT decomposition products react with RDX in the gas phase. Although there is no hydrazine formed in the decomposition of GUzT, amines formed in the decomposition of GUzT react with aldehydes, formed in the decomposition of RDX, resulting in an increased reaction rate of RDX in the presence of GUzT. However, GUzT is not an effective burning-rate modifier because its decomposition does not alter the initial gas-phase decomposition of RDX. The decomposition of GUzT occurs at temperatures above the melting point

  8. Iron catalyzed conversion of NO into nitrosonium (NO+) and nitroxyl (HNO/NO-) species.

    PubMed

    Stojanović, Srdjan; Stanić, Dragana; Nikolić, Milan; Spasić, Mihailo; Niketić, Vesna

    2004-11-01

    The conversion of NO into its congeners, nitrosonium (NO+) and nitroxyl (HNO/NO-) species, has important consequences in NO metabolism. Dinitrosyl iron complex (DNIC) combined with thiol ligands was shown to catalyze the conversion of NO into NO+, resulting in the synthesis of S-nitrosothiols (RSNO) both in vitro and in vivo. The formation mechanism of DNIC was proposed to involve the intermediate release of nitroxyl. Since the detection of hydroxylamine (as the product of a rapid reaction of HNO/NO- with thiols) is taken as the evidence for nitroxyl generation, we examined the formation of hydroxylamine, RSNO, and nitrite (the product of a rapid reaction of NO+ with water) in neutral solutions containing iron ions and thiols exposed to NO under anaerobic conditions. Hydroxylamine was detected in NO treated solutions of iron ions in the presence of cysteine, but not glutathione (GSH). The addition of urate, a major "free" iron-binding agent in humans, to solutions of GSH and iron ions, and the subsequent treatment of these solutions with NO increased the synthesis of GSNO and resulted in the formation of hydroxylamine. This caused a loss of urate and yielded a novel nitrosative/nitration product. GSH attenuated the urate decomposition to such a degree that it could be reflected as the function of GSH:urate. Results described here contribute to the understanding of the role of iron ions in catalyzing the conversion of NO into HNO/NO- and point to the role of uric acid not previously described.

  9. Reactivity of fluoroalkanes in reactions of coordinated molecular decomposition

    NASA Astrophysics Data System (ADS)

    Pokidova, T. S.; Denisov, E. T.

    2017-08-01

    Experimental results on the coordinated molecular decomposition of RF fluoroalkanes to olefin and HF are analyzed using the model of intersecting parabolas (IPM). The kinetic parameters are calculated to allow estimates of the activation energy ( E) and rate constant ( k) of these reactions, based on enthalpy and IPM algorithms. Parameters E and k are found for the first time for eight RF decomposition reactions. The factors that affect activation energy E of RF decomposition (the enthalpy of the reaction, the electronegativity of the atoms of reaction centers, and the dipole-dipole interaction of polar groups) are determined. The values of E and k for reverse reactions of addition are estimated.

  10. Qualitative Fault Isolation of Hybrid Systems: A Structural Model Decomposition-Based Approach

    NASA Technical Reports Server (NTRS)

    Bregon, Anibal; Daigle, Matthew; Roychoudhury, Indranil

    2016-01-01

    Quick and robust fault diagnosis is critical to ensuring safe operation of complex engineering systems. A large number of techniques are available to provide fault diagnosis in systems with continuous dynamics. However, many systems in aerospace and industrial environments are best represented as hybrid systems that consist of discrete behavioral modes, each with its own continuous dynamics. These hybrid dynamics make the on-line fault diagnosis task computationally more complex due to the large number of possible system modes and the existence of autonomous mode transitions. This paper presents a qualitative fault isolation framework for hybrid systems based on structural model decomposition. The fault isolation is performed by analyzing the qualitative information of the residual deviations. However, in hybrid systems this process becomes complex due to possible existence of observation delays, which can cause observed deviations to be inconsistent with the expected deviations for the current mode in the system. The great advantage of structural model decomposition is that (i) it allows to design residuals that respond to only a subset of the faults, and (ii) every time a mode change occurs, only a subset of the residuals will need to be reconfigured, thus reducing the complexity of the reasoning process for isolation purposes. To demonstrate and test the validity of our approach, we use an electric circuit simulation as the case study.

  11. Analysis of Self-Excited Combustion Instabilities Using Decomposition Techniques

    DTIC Science & Technology

    2016-07-05

    are evaluated for the study of self-excited longitudinal combustion instabilities in laboratory-scaled single-element gas turbine and rocket...Air Force Base, California 93524 DOI: 10.2514/1.J054557 Proper orthogonal decomposition and dynamic mode decomposition are evaluated for the study of...instabilities. In addition, we also evaluate the capabilities of the methods to deal with data sets of different spatial extents and temporal resolution

  12. A density functional theory study of the decomposition mechanism of nitroglycerin.

    PubMed

    Pei, Liguan; Dong, Kehai; Tang, Yanhui; Zhang, Bo; Yu, Chang; Li, Wenzuo

    2017-08-21

    The detailed decomposition mechanism of nitroglycerin (NG) in the gas phase was studied by examining reaction pathways using density functional theory (DFT) and canonical variational transition state theory combined with a small-curvature tunneling correction (CVT/SCT). The mechanism of NG autocatalytic decomposition was investigated at the B3LYP/6-31G(d,p) level of theory. Five possible decomposition pathways involving NG were identified and the rate constants for the pathways at temperatures ranging from 200 to 1000 K were calculated using CVT/SCT. There was found to be a lower energy barrier to the β-H abstraction reaction than to the α-H abstraction reaction during the initial step in the autocatalytic decomposition of NG. The decomposition pathways for CHOCOCHONO 2 (a product obtained following the abstraction of three H atoms from NG by NO 2 ) include O-NO 2 cleavage or isomer production, meaning that the autocatalytic decomposition of NG has two reaction pathways, both of which are exothermic. The rate constants for these two reaction pathways are greater than the rate constants for the three pathways corresponding to unimolecular NG decomposition. The overall process of NG decomposition can be divided into two stages based on the NO 2 concentration, which affects the decomposition products and reactions. In the first stage, the reaction pathway corresponding to O-NO 2 cleavage is the main pathway, but the rates of the two autocatalytic decomposition pathways increase with increasing NO 2 concentration. However, when a threshold NO 2 concentration is reached, the NG decomposition process enters its second stage, with the two pathways for NG autocatalytic decomposition becoming the main and secondary reaction pathways.

  13. A new solar power output prediction based on hybrid forecast engine and decomposition model.

    PubMed

    Zhang, Weijiang; Dang, Hongshe; Simoes, Rolando

    2018-06-12

    Regarding to the growing trend of photovoltaic (PV) energy as a clean energy source in electrical networks and its uncertain nature, PV energy prediction has been proposed by researchers in recent decades. This problem is directly effects on operation in power network while, due to high volatility of this signal, an accurate prediction model is demanded. A new prediction model based on Hilbert Huang transform (HHT) and integration of improved empirical mode decomposition (IEMD) with feature selection and forecast engine is presented in this paper. The proposed approach is divided into three main sections. In the first section, the signal is decomposed by the proposed IEMD as an accurate decomposition tool. To increase the accuracy of the proposed method, a new interpolation method has been used instead of cubic spline curve (CSC) fitting in EMD. Then the obtained output is entered into the new feature selection procedure to choose the best candidate inputs. Finally, the signal is predicted by a hybrid forecast engine composed of support vector regression (SVR) based on an intelligent algorithm. The effectiveness of the proposed approach has been verified over a number of real-world engineering test cases in comparison with other well-known models. The obtained results prove the validity of the proposed method. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

  14. Acid-Catalyzed Isomerization of Carvone to Carvacrol

    ERIC Educational Resources Information Center

    Kjonaas, Richard A.; Mattingly, Shawn P.

    2005-01-01

    The acid-catalyzed isomerization of carvone to carvacrol, first reported by Ritter and Ginsburg, is especially well suited with a permanent-magnet FT instrument. The acid-catalyzed isomerization of carvone to carvacrol produced a 61% yield after a three hour reflux with 30% aqueous sulfuric acid.

  15. Analysis of temporal-longitudinal-latitudinal characteristics in the global ionosphere based on tensor rank-1 decomposition

    NASA Astrophysics Data System (ADS)

    Lu, Shikun; Zhang, Hao; Li, Xihai; Li, Yihong; Niu, Chao; Yang, Xiaoyun; Liu, Daizhi

    2018-03-01

    Combining analyses of spatial and temporal characteristics of the ionosphere is of great significance for scientific research and engineering applications. Tensor decomposition is performed to explore the temporal-longitudinal-latitudinal characteristics in the ionosphere. Three-dimensional tensors are established based on the time series of ionospheric vertical total electron content maps obtained from the Centre for Orbit Determination in Europe. To obtain large-scale characteristics of the ionosphere, rank-1 decomposition is used to obtain U^{(1)}, U^{(2)}, and U^{(3)}, which are the resulting vectors for the time, longitude, and latitude modes, respectively. Our initial finding is that the correspondence between the frequency spectrum of U^{(1)} and solar variation indicates that rank-1 decomposition primarily describes large-scale temporal variations in the global ionosphere caused by the Sun. Furthermore, the time lags between the maxima of the ionospheric U^{(2)} and solar irradiation range from 1 to 3.7 h without seasonal dependence. The differences in time lags may indicate different interactions between processes in the magnetosphere-ionosphere-thermosphere system. Based on the dataset displayed in the geomagnetic coordinates, the position of the barycenter of U^{(3)} provides evidence for north-south asymmetry (NSA) in the large-scale ionospheric variations. The daily variation in such asymmetry indicates the influences of solar ionization. The diurnal geomagnetic coordinate variations in U^{(3)} show that the large-scale EIA (equatorial ionization anomaly) variations during the day and night have similar characteristics. Considering the influences of geomagnetic disturbance on ionospheric behavior, we select the geomagnetic quiet GIMs to construct the ionospheric tensor. The results indicate that the geomagnetic disturbances have little effect on large-scale ionospheric characteristics.

  16. Iridium-Catalyzed Asymmetric Hydrogenation of Ketones with Accessible and Modular Ferrocene-Based Amino-phosphine Acid (f-Ampha) Ligands.

    PubMed

    Yu, Jianfei; Long, Jiao; Yang, Yuhong; Wu, Weilong; Xue, Peng; Chung, Lung Wa; Dong, Xiu-Qin; Zhang, Xumu

    2017-02-03

    A series of tridentate ferrocene-based amino-phosphine acid (f-Ampha) ligands have been successfully developed. The f-Ampha ligands are extremely air stable and exhibited excellent performance in the Ir-catalyzed asymmetric hydrogenation of ketones (full conversions, up to >99% ee, and 500 000 TON). DFT calculations were performed to elucidate the reaction mechanism and the importance of the -COOH group. Control experiments also revealed that the -COOH group played a key role in this reaction.

  17. Ultra-sensitive EUV resists based on acid-catalyzed polymer backbone breaking

    NASA Astrophysics Data System (ADS)

    Manouras, Theodoros; Kazazis, Dimitrios; Koufakis, Eleftherios; Ekinci, Yasin; Vamvakaki, Maria; Argitis, Panagiotis

    2018-03-01

    The main target of the current work was to develop new sensitive polymeric materials for lithographic applications, focusing in particular to EUV lithography, the main chain of which is cleaved under the influence of photogenerated acid. Resist materials based on the cleavage of polymer main chain are in principle capable to create very small structures, to the dimensions of the monomers that they consist of. Nevertheless, in the case of the commonly used nonchemically amplified materials of this type issues like sensitivity and poor etch resistance limit their areas of application, whereas inadequate etch resistance and non- satisfactory process reliability are the usual problems encountered in acid catalysed materials based on main chain scission. In our material design the acid catalyzed chain cleavable polymers contain very sensitive moieties in their backbone while they remain intact in alkaline ambient. These newly synthesized polymers bear in addition suitable functional groups for the achievement of desirable lithographic characteristics (thermal stability, acceptable glass transition temperature, etch resistance, proper dissolution behavior, adhesion to the substrate). Our approach for achieving acceptable etch resistance, a main drawback in other main chain cleavable resists, is based on the introduction of polyaromatic hydrocarbons in the polymeric backbone, whereas the incorporation of an inorganic component further enhances the etch resistance. Single component systems can also be designed following the proposed approach by the incorporation of suitable PAGs and base quencher molecules in the main chain. Resist formulations based on a random copolymer designed according to the described rules evaluated in EUV exhibit ultrahigh sensitivity, capability for high resolution patterning and overall processing characteristics that make them strong candidates for industrial use upon further optimization.

  18. β-Amino acid catalyzed asymmetric Michael additions: design of organocatalysts with catalytic acid/base dyad inspired by serine proteases.

    PubMed

    Yang, Hui; Wong, Ming Wah

    2011-09-16

    A new type of chiral β-amino acid catalyst has been computationally designed, mimicking the enzyme catalysis of serine proteases. Our catalyst approach is based on the bioinspired catalytic acid/base dyad, namely, a carboxyl and imidazole pair. DFT calculations predict that this designed organocatalyst catalyzes Michael additions of aldehydes to nitroalkenes with excellent enantioselectivities and remarkably high anti diastereoselectivities. The unusual stacked geometry of the enamine intermediate, hydrogen bonding network, and the adoption of an exo transition state are the keys to understand the stereoselectivity. © 2011 American Chemical Society

  19. Microbial Signatures of Cadaver Gravesoil During Decomposition.

    PubMed

    Finley, Sheree J; Pechal, Jennifer L; Benbow, M Eric; Robertson, B K; Javan, Gulnaz T

    2016-04-01

    Genomic studies have estimated there are approximately 10(3)-10(6) bacterial species per gram of soil. The microbial species found in soil associated with decomposing human remains (gravesoil) have been investigated and recognized as potential molecular determinants for estimates of time since death. The nascent era of high-throughput amplicon sequencing of the conserved 16S ribosomal RNA (rRNA) gene region of gravesoil microbes is allowing research to expand beyond more subjective empirical methods used in forensic microbiology. The goal of the present study was to evaluate microbial communities and identify taxonomic signatures associated with the gravesoil human cadavers. Using 16S rRNA gene amplicon-based sequencing, soil microbial communities were surveyed from 18 cadavers placed on the surface or buried that were allowed to decompose over a range of decomposition time periods (3-303 days). Surface soil microbial communities showed a decreasing trend in taxon richness, diversity, and evenness over decomposition, while buried cadaver-soil microbial communities demonstrated increasing taxon richness, consistent diversity, and decreasing evenness. The results show that ubiquitous Proteobacteria was confirmed as the most abundant phylum in all gravesoil samples. Surface cadaver-soil communities demonstrated a decrease in Acidobacteria and an increase in Firmicutes relative abundance over decomposition, while buried soil communities were consistent in their community composition throughout decomposition. Better understanding of microbial community structure and its shifts over time may be important for advancing general knowledge of decomposition soil ecology and its potential use during forensic investigations.

  20. Truncated feature representation for automatic target detection using transformed data-based decomposition

    NASA Astrophysics Data System (ADS)

    Riasati, Vahid R.

    2016-05-01

    In this work, the data covariance matrix is diagonalized to provide an orthogonal bases set using the eigen vectors of the data. The eigen-vector decomposition of the data is transformed and filtered in the transform domain to truncate the data for robust features related to a specified set of targets. These truncated eigen features are then combined and reconstructed to utilize in a composite filter and consequently utilized for the automatic target detection of the same class of targets. The results associated with the testing of the current technique are evaluated using the peak-correlation and peak-correlation energy metrics and are presented in this work. The inverse transformed eigen-bases of the current technique may be thought of as an injected sparsity to minimize data in representing the skeletal data structure information associated with the set of targets under consideration.

  1. Multiple image encryption scheme based on pixel exchange operation and vector decomposition

    NASA Astrophysics Data System (ADS)

    Xiong, Y.; Quan, C.; Tay, C. J.

    2018-02-01

    We propose a new multiple image encryption scheme based on a pixel exchange operation and a basic vector decomposition in Fourier domain. In this algorithm, original images are imported via a pixel exchange operator, from which scrambled images and pixel position matrices are obtained. Scrambled images encrypted into phase information are imported using the proposed algorithm and phase keys are obtained from the difference between scrambled images and synthesized vectors in a charge-coupled device (CCD) plane. The final synthesized vector is used as an input in a random phase encoding (DRPE) scheme. In the proposed encryption scheme, pixel position matrices and phase keys serve as additional private keys to enhance the security of the cryptosystem which is based on a 4-f system. Numerical simulations are presented to demonstrate the feasibility and robustness of the proposed encryption scheme.

  2. Decomposition rates and termite assemblage composition in semiarid Africa

    USGS Publications Warehouse

    Schuurman, G.

    2005-01-01

    Outside of the humid tropics, abiotic factors are generally considered the dominant regulators of decomposition, and biotic influences are frequently not considered in predicting decomposition rates. In this study, I examined the effect of termite assemblage composition and abundance on decomposition of wood litter of an indigenous species (Croton megalobotrys) in five terrestrial habitats of the highly seasonal semiarid Okavango Delta region of northern Botswana, to determine whether natural variation in decomposer community composition and abundance influences decomposition rates. 1 conducted the study in two areas, Xudum and Santawani, with the Xudum study preceding the Santawani study. I assessed termite assemblage composition and abundance using a grid of survey baits (rolls of toilet paper) placed on the soil surface and checked 2-4 times/month. I placed a billet (a section of wood litter) next to each survey bait and measured decomposition in a plot by averaging the mass loss of its billets. Decomposition rates varied up to sixfold among plots within the same habitat and locality, despite the fact that these plots experienced the same climate. In addition, billets decomposed significantly faster during the cooler and drier Santawani study, contradicting climate-based predictions. Because termite incidence was generally higher in Santawani plots, termite abundance initially seemed a likely determinant of decomposition in this system. However, no significant effect of termite incidence on billet mass loss rates was observed among the Xudum plots, where decomposition rates remained low even though termite incidence varied considerably. Considering the incidences of fungus-growing termites and non-fungus-growing termites separately resolves this apparent contradiction: in both Santawani and Xudum, only fungus-growing termites play a significant role in decomposition. This result is mirrored in an analysis of the full data set of combined Xudum and Santawani data

  3. Rhodium-catalyzed 1,4-addition of arylboronic acids to alpha,beta-unsaturated carbonyl compounds: large accelerating effects of bases and ligands.

    PubMed

    Itooka, Ryoh; Iguchi, Yuki; Miyaura, Norio

    2003-07-25

    The effects of ligands and bases in the rhodium(I)-catalyzed 1,4-addition of arylboronic acids to alpha,beta-unsaturated carbonyl compounds were reinvestigated to carry out the reaction under mild conditions. Rhodium(I) complexes possessing a 1,5-cyclooctadiene (cod) and a hydroxo ligand such as [RhOH(cod)](2) exhibited excellent catalyst activities compared to those of the corresponding rhodium-acac or -chloro complexes and their phosphine derivatives. The reaction was further accelerated in the presence of KOH, thus allowing the 1,4-addition even at 0 degrees C. A cationic rhodium(I)-(R)-binap complex, [Rh(R-binap)(nbd)]BF(4), catalyzed the reaction at 25-50 degrees C in the presence of Et(3)N with high enantioselectivities of up to 99% ee for alpha,beta-unsaturated ketones, 92% for aldehydes, 94% for esters, and 92% for amides.

  4. An Improved Interferometric Calibration Method Based on Independent Parameter Decomposition

    NASA Astrophysics Data System (ADS)

    Fan, J.; Zuo, X.; Li, T.; Chen, Q.; Geng, X.

    2018-04-01

    Interferometric SAR is sensitive to earth surface undulation. The accuracy of interferometric parameters plays a significant role in precise digital elevation model (DEM). The interferometric calibration is to obtain high-precision global DEM by calculating the interferometric parameters using ground control points (GCPs). However, interferometric parameters are always calculated jointly, making them difficult to decompose precisely. In this paper, we propose an interferometric calibration method based on independent parameter decomposition (IPD). Firstly, the parameters related to the interferometric SAR measurement are determined based on the three-dimensional reconstruction model. Secondly, the sensitivity of interferometric parameters is quantitatively analyzed after the geometric parameters are completely decomposed. Finally, each interferometric parameter is calculated based on IPD and interferometric calibration model is established. We take Weinan of Shanxi province as an example and choose 4 TerraDEM-X image pairs to carry out interferometric calibration experiment. The results show that the elevation accuracy of all SAR images is better than 2.54 m after interferometric calibration. Furthermore, the proposed method can obtain the accuracy of DEM products better than 2.43 m in the flat area and 6.97 m in the mountainous area, which can prove the correctness and effectiveness of the proposed IPD based interferometric calibration method. The results provide a technical basis for topographic mapping of 1 : 50000 and even larger scale in the flat area and mountainous area.

  5. Determination of knock characteristics in spark ignition engines: an approach based on ensemble empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Li, Ning; Yang, Jianguo; Zhou, Rui; Liang, Caiping

    2016-04-01

    Knock is one of the major constraints to improve the performance and thermal efficiency of spark ignition (SI) engines. It can also result in severe permanent engine damage under certain operating conditions. Based on the ensemble empirical mode decomposition (EEMD), this paper proposes a new approach to determine the knock characteristics in SI engines. By adding a uniformly distributed and finite white Gaussian noise, the EEMD can preserve signal continuity in different scales and therefore alleviates the mode-mixing problem occurring in the classic empirical mode decomposition (EMD). The feasibilities of applying the EEMD to detect the knock signatures of a test SI engine via the pressure signal measured from combustion chamber and the vibration signal measured from cylinder head are investigated. Experimental results show that the EEMD-based method is able to detect the knock signatures from both the pressure signal and vibration signal, even in initial stage of knock. Finally, by comparing the application results with those obtained by short-time Fourier transform (STFT), Wigner-Ville distribution (WVD) and discrete wavelet transform (DWT), the superiority of the EEMD method in determining knock characteristics is demonstrated.

  6. Acid and alkali effects on the decomposition of HMX molecule: a computational study.

    PubMed

    Zhang, Chaoyang; Li, Yuzhen; Xiong, Ying; Wang, Xiaolin; Zhou, Mingfei

    2011-11-03

    The stored and wasted explosives are usually in an acid or alkali environment, leading to the importance of exploring the acid and alkali effects on the decomposition mechanism of explosives. The acid and alkali effects on the decomposition of HMX molecule in gaseous state and in aqueous solution at 298 K are studied using quantum chemistry and molecular force field calculations. The results show that both H(+) and OH(-) make the decomposition in gaseous state energetically favorable. However, the effect of H(+) is much different from that of OH(-) in aqueous solution: OH(-) can accelerate the decomposition but H(+) cannot. The difference is mainly caused by the large aqueous solvation energy difference between H(+) and OH(-). The results confirm that the dissociation of HMX is energetically favored only in the base solutions, in good agreement with previous HMX base hydrolysis experimental observations. The different acid and alkali effects on the HMX decomposition are dominated by the large aqueous solvation energy difference between H(+) and OH(-).

  7. Non-aggregation based label free colorimetric sensor for the detection of Cu2+ based on catalyzing etching of gold nanorods by dissolve oxygen.

    PubMed

    Liu, Jia-Ming; Jiao, Li; Lin, Li-Ping; Cui, Ma-Lin; Wang, Xin-Xing; Zhang, Li-Hong; Zheng, Zhi-Yong; Jiang, Shu-Lian

    2013-12-15

    A label-free non-aggregation colorimetric sensor has been designed for the detection of Cu(2+), based on Cu(2+) catalyzing etching of gold nanorods (AuNRs) along longitudinal axis induced by dissolve oxygen in the presence of S2O3(2-), which caused the aspect ratio (length/width) of AuNRs to decrease and the color of the solution to distinctly change. The linear range and the detection limit (LD, calculated by 10 Sb/k, n=11) of this sensor were 0.080-4.8 µM Cu(2+) and 0.22 µM Cu(2+), respectively. This sensor has been utilized to detect Cu(2+) in tap water and human serum samples with the results agreeing well with those of inductively coupled plasma-mass spectroscopy (ICP-MS), showing its remarkable practicality. In order to prove the possibility of catalyzing AuNRs non-aggregation colorimetric sensor for the detection of Cu(2+), the morphological structures of AuNRs were characterized by high resolution transmission electron microscopy (HRTEM) and the sensing mechanism of colorimetric sensor for the detection of Cu(2+) was also discussed. © 2013 Elsevier B.V. All rights reserved.

  8. Fast polar decomposition of an arbitrary matrix

    NASA Technical Reports Server (NTRS)

    Higham, Nicholas J.; Schreiber, Robert S.

    1988-01-01

    The polar decomposition of an m x n matrix A of full rank, where m is greater than or equal to n, can be computed using a quadratically convergent algorithm. The algorithm is based on a Newton iteration involving a matrix inverse. With the use of a preliminary complete orthogonal decomposition the algorithm can be extended to arbitrary A. How to use the algorithm to compute the positive semi-definite square root of a Hermitian positive semi-definite matrix is described. A hybrid algorithm which adaptively switches from the matrix inversion based iteration to a matrix multiplication based iteration due to Kovarik, and to Bjorck and Bowie is formulated. The decision when to switch is made using a condition estimator. This matrix multiplication rich algorithm is shown to be more efficient on machines for which matrix multiplication can be executed 1.5 times faster than matrix inversion.

  9. Surface-catalyzed air oxidation of hydrazines: Environmental chamber studies

    NASA Technical Reports Server (NTRS)

    Kilduff, Jan E.; Davis, Dennis D.; Koontz, Steven L.

    1988-01-01

    The surface-catalyzed air oxidation reactions of fuel hydrazines were studied in a 6500-liter fluorocarbon-film chamber at 80 to 100 ppm concentrations. First-order rate constants for the reactions catalyzed by aluminum, water-damaged aluminum (Al/Al2O3), stainless steel 304L, galvanized steel and titanium plates with surface areas of 2 to 24 sq m were determined. With 23.8 sq m of Al/Al2O3 the surface-catalyzed air oxidation of hydrazine had a half-life of 2 hours, diimide (N2H2) was observed as an intermediate and traces of ammonia were present in the final product mixture. The Al/Al2O3 catalyzed oxidation of monomethylhydrazine yielded methyldiazine (HN = NCH3) as an intermediate and traces of methanol. Unsymmetrical dimethylhydrazine gave no detectable products. The relative reactivities of hydrazine, MMH and UDMH were 130 : 7.3 : 1.0, respectively. The rate constants for Al/Al2O3-catalyzed oxidation of hydrazine and MMH were proportional to the square of the surface area of the plates. Mechanisms for the surface-catalyzed oxidation of hydrazine and diimide and the formation of ammonia are proposed.

  10. Proper orthogonal decomposition-based spectral higher-order stochastic estimation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baars, Woutijn J., E-mail: wbaars@unimelb.edu.au; Tinney, Charles E.

    A unique routine, capable of identifying both linear and higher-order coherence in multiple-input/output systems, is presented. The technique combines two well-established methods: Proper Orthogonal Decomposition (POD) and Higher-Order Spectra Analysis. The latter of these is based on known methods for characterizing nonlinear systems by way of Volterra series. In that, both linear and higher-order kernels are formed to quantify the spectral (nonlinear) transfer of energy between the system's input and output. This reduces essentially to spectral Linear Stochastic Estimation when only first-order terms are considered, and is therefore presented in the context of stochastic estimation as spectral Higher-Order Stochastic Estimationmore » (HOSE). The trade-off to seeking higher-order transfer kernels is that the increased complexity restricts the analysis to single-input/output systems. Low-dimensional (POD-based) analysis techniques are inserted to alleviate this void as POD coefficients represent the dynamics of the spatial structures (modes) of a multi-degree-of-freedom system. The mathematical framework behind this POD-based HOSE method is first described. The method is then tested in the context of jet aeroacoustics by modeling acoustically efficient large-scale instabilities as combinations of wave packets. The growth, saturation, and decay of these spatially convecting wave packets are shown to couple both linearly and nonlinearly in the near-field to produce waveforms that propagate acoustically to the far-field for different frequency combinations.« less

  11. RNA-Catalyzed RNA Ligation on an External RNA Template

    NASA Technical Reports Server (NTRS)

    McGinness, Kathleen E.; Joyce, Gerald F.

    2002-01-01

    Variants of the hc ligase ribozyme, which catalyzes ligation of the 3' end of an RNA substrate to the 5' end of the ribozyme, were utilized to evolve a ribozyme that catalyzes ligation reactions on an external RNA template. The evolved ribozyme catalyzes the joining of an oligonucleotide 3'-hydroxyl to the 5'-triphosphate of an RNA hairpin molecule. The ribozyme can also utilize various substrate sequences, demonstrating a largely sequence-independent mechanism for substrate recognition. The ribozyme also carries out the ligation of two oligonucleotides that are bound at adjacent positions on a complementary template. Finally, it catalyzes addition of mononucleoside '5-triphosphates onto the '3 end of an oligonucleotide primer in a template-dependent manner. The development of ribozymes that catalyze polymerase-type reactions contributes to the notion that an RNA world could have existed during the early history of life on Earth.

  12. Optimization-based additive decomposition of weakly coercive problems with applications

    DOE PAGES

    Bochev, Pavel B.; Ridzal, Denis

    2016-01-27

    In this study, we present an abstract mathematical framework for an optimization-based additive decomposition of a large class of variational problems into a collection of concurrent subproblems. The framework replaces a given monolithic problem by an equivalent constrained optimization formulation in which the subproblems define the optimization constraints and the objective is to minimize the mismatch between their solutions. The significance of this reformulation stems from the fact that one can solve the resulting optimality system by an iterative process involving only solutions of the subproblems. Consequently, assuming that stable numerical methods and efficient solvers are available for every subproblem,more » our reformulation leads to robust and efficient numerical algorithms for a given monolithic problem by breaking it into subproblems that can be handled more easily. An application of the framework to the Oseen equations illustrates its potential.« less

  13. Iodine-catalyzed diazo activation to access radical reactivity.

    PubMed

    Li, Pan; Zhao, Jingjing; Shi, Lijun; Wang, Jin; Shi, Xiaodong; Li, Fuwei

    2018-05-17

    Transition-metal-catalyzed diazo activation is a classical way to generate metal carbene, which are valuable intermediates in synthetic organic chemistry. An alternative iodine-catalyzed diazo activation is disclosed herein under either photo-initiated or thermal-initiated conditions, which represents an approach to enable carbene radical reactivity. This metal-free diazo activation strategy were successfully applied into olefin cyclopropanation and epoxidation, and applying this method to pyrrole synthesis under thermal-initiated conditions further demonstrates the unique reactivity using this method over typical metal-catalyzed conditions.

  14. Assessing the effect of different treatments on decomposition rate of dairy manure.

    PubMed

    Khalil, Tariq M; Higgins, Stewart S; Ndegwa, Pius M; Frear, Craig S; Stöckle, Claudio O

    2016-11-01

    Confined animal feeding operations (CAFOs) contribute to greenhouse gas emission, but the magnitude of these emissions as a function of operation size, infrastructure, and manure management are difficult to assess. Modeling is a viable option to estimate gaseous emission and nutrient flows from CAFOs. These models use a decomposition rate constant for carbon mineralization. However, this constant is usually determined assuming a homogenous mix of manure, ignoring the effects of emerging manure treatments. The aim of this study was to measure and compare the decomposition rate constants of dairy manure in single and three-pool decomposition models, and to develop an empirical model based on chemical composition of manure for prediction of a decomposition rate constant. Decomposition rate constants of manure before and after an anaerobic digester (AD), following coarse fiber separation, and fine solids removal were determined under anaerobic conditions for single and three-pool decomposition models. The decomposition rates of treated manure effluents differed significantly from untreated manure for both single and three-pool decomposition models. In the single-pool decomposition model, AD effluent containing only suspended solids had a relatively high decomposition rate of 0.060 d(-1), while liquid with coarse fiber and fine solids removed had the lowest rate of 0.013 d(-1). In the three-pool decomposition model, fast and slow decomposition rate constants (0.25 d(-1) and 0.016 d(-1) respectively) of untreated AD influent were also significantly different from treated manure fractions. A regression model to predict the decomposition rate of treated dairy manure fitted well (R(2) = 0.83) to observed data. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Limited-memory adaptive snapshot selection for proper orthogonal decomposition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Oxberry, Geoffrey M.; Kostova-Vassilevska, Tanya; Arrighi, Bill

    2015-04-02

    Reduced order models are useful for accelerating simulations in many-query contexts, such as optimization, uncertainty quantification, and sensitivity analysis. However, offline training of reduced order models can have prohibitively expensive memory and floating-point operation costs in high-performance computing applications, where memory per core is limited. To overcome this limitation for proper orthogonal decomposition, we propose a novel adaptive selection method for snapshots in time that limits offline training costs by selecting snapshots according an error control mechanism similar to that found in adaptive time-stepping ordinary differential equation solvers. The error estimator used in this work is related to theory boundingmore » the approximation error in time of proper orthogonal decomposition-based reduced order models, and memory usage is minimized by computing the singular value decomposition using a single-pass incremental algorithm. Results for a viscous Burgers’ test problem demonstrate convergence in the limit as the algorithm error tolerances go to zero; in this limit, the full order model is recovered to within discretization error. The resulting method can be used on supercomputers to generate proper orthogonal decomposition-based reduced order models, or as a subroutine within hyperreduction algorithms that require taking snapshots in time, or within greedy algorithms for sampling parameter space.« less

  16. Decomposition-based transfer distance metric learning for image classification.

    PubMed

    Luo, Yong; Liu, Tongliang; Tao, Dacheng; Xu, Chao

    2014-09-01

    Distance metric learning (DML) is a critical factor for image analysis and pattern recognition. To learn a robust distance metric for a target task, we need abundant side information (i.e., the similarity/dissimilarity pairwise constraints over the labeled data), which is usually unavailable in practice due to the high labeling cost. This paper considers the transfer learning setting by exploiting the large quantity of side information from certain related, but different source tasks to help with target metric learning (with only a little side information). The state-of-the-art metric learning algorithms usually fail in this setting because the data distributions of the source task and target task are often quite different. We address this problem by assuming that the target distance metric lies in the space spanned by the eigenvectors of the source metrics (or other randomly generated bases). The target metric is represented as a combination of the base metrics, which are computed using the decomposed components of the source metrics (or simply a set of random bases); we call the proposed method, decomposition-based transfer DML (DTDML). In particular, DTDML learns a sparse combination of the base metrics to construct the target metric by forcing the target metric to be close to an integration of the source metrics. The main advantage of the proposed method compared with existing transfer metric learning approaches is that we directly learn the base metric coefficients instead of the target metric. To this end, far fewer variables need to be learned. We therefore obtain more reliable solutions given the limited side information and the optimization tends to be faster. Experiments on the popular handwritten image (digit, letter) classification and challenge natural image annotation tasks demonstrate the effectiveness of the proposed method.

  17. Geometric decomposition of the conformation tensor in viscoelastic turbulence

    NASA Astrophysics Data System (ADS)

    Hameduddin, Ismail; Meneveau, Charles; Zaki, Tamer A.; Gayme, Dennice F.

    2018-05-01

    This work introduces a mathematical approach to analysing the polymer dynamics in turbulent viscoelastic flows that uses a new geometric decomposition of the conformation tensor, along with associated scalar measures of the polymer fluctuations. The approach circumvents an inherent difficulty in traditional Reynolds decompositions of the conformation tensor: the fluctuating tensor fields are not positive-definite and so do not retain the physical meaning of the tensor. The geometric decomposition of the conformation tensor yields both mean and fluctuating tensor fields that are positive-definite. The fluctuating tensor in the present decomposition has a clear physical interpretation as a polymer deformation relative to the mean configuration. Scalar measures of this fluctuating conformation tensor are developed based on the non-Euclidean geometry of the set of positive-definite tensors. Drag-reduced viscoelastic turbulent channel flow is then used an example case study. The conformation tensor field, obtained using direct numerical simulations, is analysed using the proposed framework.

  18. Integrated Network Decompositions and Dynamic Programming for Graph Optimization (INDDGO)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    The INDDGO software package offers a set of tools for finding exact solutions to graph optimization problems via tree decompositions and dynamic programming algorithms. Currently the framework offers serial and parallel (distributed memory) algorithms for finding tree decompositions and solving the maximum weighted independent set problem. The parallel dynamic programming algorithm is implemented on top of the MADNESS task-based runtime.

  19. Novel Dry-Type Glucose Sensor Based on a Metal-Oxide-Semiconductor Capacitor Structure with Horseradish Peroxidase + Glucose Oxidase Catalyzing Layer

    NASA Astrophysics Data System (ADS)

    Lin, Jing-Jenn; Wu, You-Lin; Hsu, Po-Yen

    2007-10-01

    In this paper, we present a novel dry-type glucose sensor based on a metal-oxide-semiconductor capacitor (MOSC) structure using SiO2 as a gate dielectric in conjunction with a horseradish peroxidase (HRP) + glucose oxidase (GOD) catalyzing layer. The tested glucose solution was dropped directly onto the window opened on the SiO2 layer, with a coating of HRP + GOD catalyzing layer on top of the gate dielectric. From the capacitance-voltage (C-V) characteristics of the sensor, we found that the glucose solution can induce an inversion layer on the silicon surface causing a gate leakage current flowing along the SiO2 surface. The gate current changes Δ I before and after the drop of glucose solution exhibits a near-linear relationship with increasing glucose concentration. The Δ I sensitivity is about 1.76 nA cm-2 M-1, and the current is quite stable 20 min after the drop of the glucose solution is tested.

  20. Gas Sensing Analysis of Ag-Decorated Graphene for Sulfur Hexafluoride Decomposition Products Based on the Density Functional Theory

    PubMed Central

    Zhang, Xiaoxing; Huang, Rong; Gui, Yingang; Zeng, Hong

    2016-01-01

    Detection of decomposition products of sulfur hexafluoride (SF6) is one of the best ways to diagnose early latent insulation faults in gas-insulated equipment, and the occurrence of sudden accidents can be avoided effectively by finding early latent faults. Recently, functionalized graphene, a kind of gas sensing material, has been reported to show good application prospects in the gas sensor field. Therefore, calculations were performed to analyze the gas sensing properties of intrinsic graphene (Int-graphene) and functionalized graphene-based material, Ag-decorated graphene (Ag-graphene), for decomposition products of SF6, including SO2F2, SOF2, and SO2, based on density functional theory (DFT). We thoroughly investigated a series of parameters presenting gas-sensing properties of adsorbing process about gas molecule (SO2F2, SOF2, SO2) and double gas molecules (2SO2F2, 2SOF2, 2SO2) on Ag-graphene, including adsorption energy, net charge transfer, electronic state density, and the highest and lowest unoccupied molecular orbital. The results showed that the Ag atom significantly enhances the electrochemical reactivity of graphene, reflected in the change of conductivity during the adsorption process. SO2F2 and SO2 gas molecules on Ag-graphene presented chemisorption, and the adsorption strength was SO2F2 > SO2, while SOF2 absorption on Ag-graphene was physical adsorption. Thus, we concluded that Ag-graphene showed good selectivity and high sensitivity to SO2F2. The results can provide a helpful guide in exploring Ag-graphene material in experiments for monitoring the insulation status of SF6-insulated equipment based on detecting decomposition products of SF6. PMID:27809269

  1. Domain Decomposition By the Advancing-Partition Method for Parallel Unstructured Grid Generation

    NASA Technical Reports Server (NTRS)

    Pirzadeh, Shahyar Z.; Zagaris, George

    2009-01-01

    A new method of domain decomposition has been developed for generating unstructured grids in subdomains either sequentially or using multiple computers in parallel. Domain decomposition is a crucial and challenging step for parallel grid generation. Prior methods are generally based on auxiliary, complex, and computationally intensive operations for defining partition interfaces and usually produce grids of lower quality than those generated in single domains. The new technique, referred to as "Advancing Partition," is based on the Advancing-Front method, which partitions a domain as part of the volume mesh generation in a consistent and "natural" way. The benefits of this approach are: 1) the process of domain decomposition is highly automated, 2) partitioning of domain does not compromise the quality of the generated grids, and 3) the computational overhead for domain decomposition is minimal. The new method has been implemented in NASA's unstructured grid generation code VGRID.

  2. Reactive Goal Decomposition Hierarchies for On-Board Autonomy

    NASA Astrophysics Data System (ADS)

    Hartmann, L.

    2002-01-01

    to state and environment and in general can terminate the execution of a decomposition and attempt a new decomposition at any level in the hierarchy. This goal decomposition system is suitable for workstation, microprocessor and fpga implementation and thus is able to support the full range of prototyping activities, from mission design in the laboratory to development of the fpga firmware for the flight system. This approach is based on previous artificial intelligence work including (1) Brooks' subsumption architecture for robot control, (2) Firby's Reactive Action Package System (RAPS) for mediating between high level automated planning and low level execution and (3) hierarchical task networks for automated planning. Reactive goal decomposition hierarchies can be used for a wide variety of on-board autonomy applications including automating low level operation sequences (such as scheduling prerequisite operations, e.g., heaters, warm-up periods, monitoring power constraints), coordinating multiple spacecraft as in formation flying and constellations, robot manipulator operations, rendez-vous, docking, servicing, assembly, on-orbit maintenance, planetary rover operations, solar system and interstellar probes, intelligent science data gathering and disaster early warning. Goal decomposition hierarchies can support high level fault tolerance. Given models of on-board resources and goals to accomplish, the decomposition hierarchy could allocate resources to goals taking into account existing faults and in real-time reallocating resources as new faults arise. Resources to be modeled include memory (e.g., ROM, FPGA configuration memory, processor memory, payload instrument memory), processors, on-board and interspacecraft network nodes and links, sensors, actuators (e.g., attitude determination and control, guidance and navigation) and payload instruments. A goal decomposition hierarchy could be defined to map mission goals and tasks to available on-board resources. As

  3. Representing Rate Equations for Enzyme-Catalyzed Reactions

    ERIC Educational Resources Information Center

    Ault, Addison

    2011-01-01

    Rate equations for enzyme-catalyzed reactions are derived and presented in a way that makes it easier for the nonspecialist to see how the rate of an enzyme-catalyzed reaction depends upon kinetic constants and concentrations. This is done with distribution equations that show how the rate of the reaction depends upon the relative quantities of…

  4. Techno-Economic Analysis of Magnesium Extraction from Seawater via a Catalyzed Organo-Metathetical Process

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Jian; Bearden, Mark D.; Fernandez, Carlos A.

    Magnesium (Mg) has many useful applications especially in various Mg alloys which can decrease weight while increasing strength. To increase the affordability and minimize environment consequence, a novel catalyzed organo-metathetical (COMET) process was proposed to extract Mg from seawater aiming to achieve significant reduction in total energy and production cost comparing with the melting salt electrolysis method currently adopted by US Mg LLC. A process flowsheet for a reference COMET process was set-up using Aspen Plus which included five key steps, anhydrous MgCl2 production, transmetallation, dibutyl Mg decomposition, n-BuLi regeneration, and LiCL electrolysis. The energy and production cost and CO2more » emission were estimated based on the Aspen modeling using Aspen economic analyzer. Our results showed that it is possible to produce Mg from seawater with a production cost of $2.0/kg-Mg while consuming about 35.3 kWh/kg-Mg and releasing 7.0 kg CO2/kg-Mg. A simplified US Mg manufacturing process was also generated using Aspen and the cost and emission results were estimated for comparison purpose. Under our simulation conditions, the reference COMET process maintain a comparable CO2 emission rate and can save about 40% in production cost and save about 15% energy compared to the simplified US Mg process.« less

  5. Solid-base loaded WO{sub 3} photocatalyst for decomposition of harmful organics under visible light irradiation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kako, Tetsuya, E-mail: kako.tetsuya@nims.go.jp; Meng, Xianguang; Ye, Jinhua

    Composite of NaBiO{sub 3}-loaded WO{sub 3} with a mixing ratio of 10:100 was prepared for photocatalytic harmful-organic-contaminant decomposition. The composite properties were measured using X-ray diffraction, ultraviolet-visible spectrophotometer (UV-Vis), and valence band-X-ray photoelectron spectroscope (VB-XPS). The results exhibited that the potentials for top of the valence band and bottom of conduction band for NaBiO{sub 3} can be estimated, respectively, as +2.5 V and -0.1 to 0 V. Furthermore, WO{sub 3}, NaBiO{sub 3}, and the composite showed IPA oxidation properties under visible-light irradiation. Results show that the composite exhibited much higher photocatalytic activity about 2-propanol (IPA) decomposition into CO{sub 2} thanmore » individual WO{sub 3} or NaBiO{sub 3} because of charge separation promotion and the base effect of NaBiO{sub 3}.« less

  6. Direct Functionalization of Nitrogen Heterocycles via Rh-Catalyzed C-H Bond Activation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lewis, Jared; Bergman, Robert; Ellman, Jonathan

    2008-02-04

    variety of heterocycles, including azoles, azolines, dihydroquinazolines, pyridines, and quinolines, with a wide range of functionalized olefins. They demonstrated the utility of this methodology in the synthesis of natural products, drug candidates, and other biologically active molecules. In addition, they developed conditions to directly arylate these heterocycles with aryl halides. The initial conditions that used PCy{sub 3} as a ligand were successful only for aryl iodides. However, efforts designed to avoid catalyst decomposition led to the development of ligands based on 9-phosphabicyclo[4.2.1]nonane (Phoban) that also facilitated the coupling of aryl bromides. They then replicated the unique coordination environment, stability, and catalytic activity of this complex using the much simpler tetrahydrophosphepine ligands and developed conditions that coupled aryl bromides bearing diverse functional groups without the use of a glovebox or purified reagents. With further mechanistic inquiry, they anticipate that researchers will better understand the details of the aforementioned Rh-catalyzed C-H bond functionalization reactions, resulting in the design of more efficient and robust catalysts, expanded substrate scope, and new transformations.« less

  7. Post-decomposition optimizations using pattern matching and rule-based clustering for multi-patterning technology

    NASA Astrophysics Data System (ADS)

    Wang, Lynn T.-N.; Madhavan, Sriram

    2018-03-01

    A pattern matching and rule-based polygon clustering methodology with DFM scoring is proposed to detect decomposition-induced manufacturability detractors and fix the layout designs prior to manufacturing. A pattern matcher scans the layout for pre-characterized patterns from a library. If a pattern were detected, rule-based clustering identifies the neighboring polygons that interact with those captured by the pattern. Then, DFM scores are computed for the possible layout fixes: the fix with the best score is applied. The proposed methodology was applied to two 20nm products with a chip area of 11 mm2 on the metal 2 layer. All the hotspots were resolved. The number of DFM spacing violations decreased by 7-15%.

  8. Critical analysis of nitramine decomposition data: Activation energies and frequency factors for HMX and RDX decomposition

    NASA Technical Reports Server (NTRS)

    Schroeder, M. A.

    1980-01-01

    A summary of a literature review on thermal decomposition of HMX and RDX is presented. The decomposition apparently fits first order kinetics. Recommended values for Arrhenius parameters for HMX and RDX decomposition in the gaseous and liquid phases and for decomposition of RDX in solution in TNT are given. The apparent importance of autocatalysis is pointed out, as are some possible complications that may be encountered in interpreting extending or extrapolating kinetic data for these compounds from measurements carried out below their melting points to the higher temperatures and pressure characteristic of combustion.

  9. New Palladium-Catalyzed Approaches to Heterocycles and Carbocycles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huang, Qinhua

    2004-12-19

    The tert-butylimines of o-(1-alkynyl)benzaldehydes and analogous pyridinecarbaldehydes have been cyclized under very mild reaction conditions in the presence of I 2, ICl, PhSeCl, PhSCl and p-O 2NC 6H 4SCl to give the corresponding halogen-, selenium- and sulfur-containing disubstituted isoquinolines and naphthyridines, respectively. Monosubstituted isoquinolines and naphthyridines have been synthesized by the metal-catalyzed ring closure of these same iminoalkynes. This methodology accommodates a variety of iminoalkynes and affords the anticipated heterocycles in moderate to excellent yields. The Pd(II)-catalyzed cyclization of 2-(1-alkynyl)arylaldimines in the presence of various alkenes provides an efficient way to synthesize a variety of 4-(1-alkenyl)-3-arylisoquinolines in moderate to excellentmore » yields. The introduction of an ortho-methoxy group on the arylaldimine promotes the Pd-catalyzed cyclization and stabilizes the resulting Pd(II) intermediate, improving the yields of the isoquinoline products. Highly substituted naphthalenes have been synthesized by the palladium-catalyzed annulation of a variety of internal alkynes, in which two new carbon-carbon bonds are formed in a single step under relatively mild reaction conditions. This method has also been used to synthesize carbazoles, although a higher reaction temperature is necessary. The process involves arylpalladation of the alkyne, followed by intramolecular Heck olefination and double bond isomerization. This method accommodates a variety of functional groups and affords the anticipated highly substituted naphthalenes and carbazoles in good to excellent yields. Novel palladium migratiodarylation methodology for the synthesis of complex fused polycycles has been developed, in which one or more sequential Pd-catalyzed intramolecular migration processes involving C-H activation are employed. The chemistry works best with electron-rich aromatics, which is in agreement with the idea that these

  10. Amplitude-cyclic frequency decomposition of vibration signals for bearing fault diagnosis based on phase editing

    NASA Astrophysics Data System (ADS)

    Barbini, L.; Eltabach, M.; Hillis, A. J.; du Bois, J. L.

    2018-03-01

    In rotating machine diagnosis different spectral tools are used to analyse vibration signals. Despite the good diagnostic performance such tools are usually refined, computationally complex to implement and require oversight of an expert user. This paper introduces an intuitive and easy to implement method for vibration analysis: amplitude cyclic frequency decomposition. This method firstly separates vibration signals accordingly to their spectral amplitudes and secondly uses the squared envelope spectrum to reveal the presence of cyclostationarity in each amplitude level. The intuitive idea is that in a rotating machine different components contribute vibrations at different amplitudes, for instance defective bearings contribute a very weak signal in contrast to gears. This paper also introduces a new quantity, the decomposition squared envelope spectrum, which enables separation between the components of a rotating machine. The amplitude cyclic frequency decomposition and the decomposition squared envelope spectrum are tested on real word signals, both at stationary and varying speeds, using data from a wind turbine gearbox and an aircraft engine. In addition a benchmark comparison to the spectral correlation method is presented.

  11. Hyperspectral chemical plume detection algorithms based on multidimensional iterative filtering decomposition.

    PubMed

    Cicone, A; Liu, J; Zhou, H

    2016-04-13

    Chemicals released in the air can be extremely dangerous for human beings and the environment. Hyperspectral images can be used to identify chemical plumes, however the task can be extremely challenging. Assuming we know a priori that some chemical plume, with a known frequency spectrum, has been photographed using a hyperspectral sensor, we can use standard techniques such as the so-called matched filter or adaptive cosine estimator, plus a properly chosen threshold value, to identify the position of the chemical plume. However, due to noise and inadequate sensing, the accurate identification of chemical pixels is not easy even in this apparently simple situation. In this paper, we present a post-processing tool that, in a completely adaptive and data-driven fashion, allows us to improve the performance of any classification methods in identifying the boundaries of a plume. This is done using the multidimensional iterative filtering (MIF) algorithm (Cicone et al. 2014 (http://arxiv.org/abs/1411.6051); Cicone & Zhou 2015 (http://arxiv.org/abs/1507.07173)), which is a non-stationary signal decomposition method like the pioneering empirical mode decomposition method (Huang et al. 1998 Proc. R. Soc. Lond. A 454, 903. (doi:10.1098/rspa.1998.0193)). Moreover, based on the MIF technique, we propose also a pre-processing method that allows us to decorrelate and mean-centre a hyperspectral dataset. The cosine similarity measure, which often fails in practice, appears to become a successful and outperforming classifier when equipped with such a pre-processing method. We show some examples of the proposed methods when applied to real-life problems. © 2016 The Author(s).

  12. Residue decomposition of submodel of WEPS

    USDA-ARS?s Scientific Manuscript database

    The Residue Decomposition submodel of the Wind Erosion Prediction System (WEPS) simulates the decrease in crop residue biomass due to microbial activity. The decomposition process is modeled as a first-order reaction with temperature and moisture as driving variables. Decomposition is a function of ...

  13. A biosensor for cholesterol based on gold nanoparticles-catalyzed luminol electrogenerated chemiluminescence.

    PubMed

    Zhang, Meihe; Yuan, Ruo; Chai, Yaqin; Chen, Shihong; Zhong, Huaan; Wang, Cun; Cheng, Yinfeng

    2012-02-15

    A novel cholesterol biosensor was prepared based on gold nanoparticles-catalyzed luminol electrogenerated chemiluminescence (ECL). Firstly, l-cysteine-reduced graphene oxide composites were modified on the surface of a glassy carbon electrode. Then, gold nanoparticles (AuNPs) were self-assembled on it. Subsequently, cholesterol oxidase (ChOx) was adsorbed on the surface of AuNPs to construct a cholesterol biosensor. The stepwise fabrication processes were characterized with cyclic voltammetry and atomic force microscopy. The ECL behaviors of the biosensor were also investigated. It was found that AuNPs not only provided larger surface area for higher ChOx loading but also formed the nano-structured interface on the electrode surface to improve the analytical performance of the ECL biosensor for cholesterol. Besides, based on the efficient catalytic ability of AuNPs to luminol ECL, the response of the biosensor to cholesterol was linear range from 3.3 μM to 1.0 mM with a detection limit of 1.1 μM (S/N=3). In addition, the prepared ECL biosensor exhibited satisfying reproducibility, stability and selectivity. Taking into account the advantages of ECL, we confidently expect that ECL would have potential applications in biotechnology and clinical diagnosis. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Augmenting the decomposition of EMG signals using supervised feature extraction techniques.

    PubMed

    Parsaei, Hossein; Gangeh, Mehrdad J; Stashuk, Daniel W; Kamel, Mohamed S

    2012-01-01

    Electromyographic (EMG) signal decomposition is the process of resolving an EMG signal into its constituent motor unit potential trains (MUPTs). In this work, the possibility of improving the decomposing results using two supervised feature extraction methods, i.e., Fisher discriminant analysis (FDA) and supervised principal component analysis (SPCA), is explored. Using the MUP labels provided by a decomposition-based quantitative EMG system as a training data for FDA and SPCA, the MUPs are transformed into a new feature space such that the MUPs of a single MU become as close as possible to each other while those created by different MUs become as far as possible. The MUPs are then reclassified using a certainty-based classification algorithm. Evaluation results using 10 simulated EMG signals comprised of 3-11 MUPTs demonstrate that FDA and SPCA on average improve the decomposition accuracy by 6%. The improvement for the most difficult-to-decompose signal is about 12%, which shows the proposed approach is most beneficial in the decomposition of more complex signals.

  15. Iodine-Catalyzed Isomerization of Dimethyl Muconate.

    PubMed

    Settle, Amy E; Berstis, Laura; Zhang, Shuting; Rorrer, Nicholas A; Hu, Haiming; Richards, Ryan M; Beckham, Gregg T; Crowley, Michael F; Vardon, Derek R

    2018-06-11

    cis,cis-Muconic acid is a platform bio-based chemical that can be upgraded to drop-in commodity and novel monomers. Among the possible drop-in products, dimethyl terephthalate can be synthesized via esterification, isomerization, Diels-Alder cycloaddition, and dehydrogenation. The isomerization of cis,cis-dimethyl muconate (ccDMM) to the trans,trans-form (ttDMM) can be catalyzed by iodine; however, studies have yet to address (i) the mechanism and reaction barriers unique to DMM, and (ii) the influence of solvent, potential for catalyst recycle, and recovery of high-purity ttDMM. To address this gap, we apply a joint computational and experimental approach to investigate iodine-catalyzed isomerization of DMM. Density functional theory calculations identified unique regiochemical considerations owing to the large number of halogen-diene coordination schemes. Both transition state theory and experiments estimate significant barrier reductions with photodissociated iodine. Solvent selection was critical for rapid kinetics, likely because of solvent complexation with iodine. Under select conditions, ttDMM yields of 95 % were achieved in <1 h with methanol, followed by high purity recovery (>98 %) with crystallization. Lastly, post-reaction iodine can be recovered and recycled with minimal loss of activity. Overall, these findings provide new insight into the mechanism and conditions necessary for DMM isomerization with iodine to advance the state-of-the-art for bio-based chemicals. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Multidimensional Compressed Sensing MRI Using Tensor Decomposition-Based Sparsifying Transform

    PubMed Central

    Yu, Yeyang; Jin, Jin; Liu, Feng; Crozier, Stuart

    2014-01-01

    Compressed Sensing (CS) has been applied in dynamic Magnetic Resonance Imaging (MRI) to accelerate the data acquisition without noticeably degrading the spatial-temporal resolution. A suitable sparsity basis is one of the key components to successful CS applications. Conventionally, a multidimensional dataset in dynamic MRI is treated as a series of two-dimensional matrices, and then various matrix/vector transforms are used to explore the image sparsity. Traditional methods typically sparsify the spatial and temporal information independently. In this work, we propose a novel concept of tensor sparsity for the application of CS in dynamic MRI, and present the Higher-order Singular Value Decomposition (HOSVD) as a practical example. Applications presented in the three- and four-dimensional MRI data demonstrate that HOSVD simultaneously exploited the correlations within spatial and temporal dimensions. Validations based on cardiac datasets indicate that the proposed method achieved comparable reconstruction accuracy with the low-rank matrix recovery methods and, outperformed the conventional sparse recovery methods. PMID:24901331

  17. Fringe-projection profilometry based on two-dimensional empirical mode decomposition.

    PubMed

    Zheng, Suzhen; Cao, Yiping

    2013-11-01

    In 3D shape measurement, because deformed fringes often contain low-frequency information degraded with random noise and background intensity information, a new fringe-projection profilometry is proposed based on 2D empirical mode decomposition (2D-EMD). The fringe pattern is first decomposed into numbers of intrinsic mode functions by 2D-EMD. Because the method has partial noise reduction, the background components can be removed to obtain the fundamental components needed to perform Hilbert transformation to retrieve the phase information. The 2D-EMD can effectively extract the modulation phase of a single direction fringe and an inclined fringe pattern because it is a full 2D analysis method and considers the relationship between adjacent lines of a fringe patterns. In addition, as the method does not add noise repeatedly, as does ensemble EMD, the data processing time is shortened. Computer simulations and experiments prove the feasibility of this method.

  18. Pd-Catalyzed Cross-Coupling Reactions of Amides and Aryl Mesylates

    PubMed Central

    Dooleweerdt, Karin; Fors, Brett P.; Buchwald, Stephen L.

    2010-01-01

    A catalyst, based on a biarylphosphine ligand, for the Pd-catalyzed cross-coupling reactions of amides and aryl mesylates is described. This system allows an array of aryl and heteroaryl mesylates to be transformed into the corresponding N-arylamides in moderate to excellent yields. PMID:20420379

  19. Hydrazine decomposition and other reactions

    NASA Technical Reports Server (NTRS)

    Armstrong, Warren E. (Inventor); La France, Donald S. (Inventor); Voge, Hervey H. (Inventor)

    1978-01-01

    This invention relates to the catalytic decomposition of hydrazine, catalysts useful for this decomposition and other reactions, and to reactions in hydrogen atmospheres generally using carbon-containing catalysts.

  20. Decomposition of Multi-player Games

    NASA Astrophysics Data System (ADS)

    Zhao, Dengji; Schiffel, Stephan; Thielscher, Michael

    Research in General Game Playing aims at building systems that learn to play unknown games without human intervention. We contribute to this endeavour by generalising the established technique of decomposition from AI Planning to multi-player games. To this end, we present a method for the automatic decomposition of previously unknown games into independent subgames, and we show how a general game player can exploit a successful decomposition for game tree search.

  1. Multi-Centrality Graph Spectral Decompositions and Their Application to Cyber Intrusion Detection

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, Pin-Yu; Choudhury, Sutanay; Hero, Alfred

    Many modern datasets can be represented as graphs and hence spectral decompositions such as graph principal component analysis (PCA) can be useful. Distinct from previous graph decomposition approaches based on subspace projection of a single topological feature, e.g., the centered graph adjacency matrix (graph Laplacian), we propose spectral decomposition approaches to graph PCA and graph dictionary learning that integrate multiple features, including graph walk statistics, centrality measures and graph distances to reference nodes. In this paper we propose a new PCA method for single graph analysis, called multi-centrality graph PCA (MC-GPCA), and a new dictionary learning method for ensembles ofmore » graphs, called multi-centrality graph dictionary learning (MC-GDL), both based on spectral decomposition of multi-centrality matrices. As an application to cyber intrusion detection, MC-GPCA can be an effective indicator of anomalous connectivity pattern and MC-GDL can provide discriminative basis for attack classification.« less

  2. Efficient morse decompositions of vector fields.

    PubMed

    Chen, Guoning; Mischaikow, Konstantin; Laramee, Robert S; Zhang, Eugene

    2008-01-01

    Existing topology-based vector field analysis techniques rely on the ability to extract the individual trajectories such as fixed points, periodic orbits, and separatrices that are sensitive to noise and errors introduced by simulation and interpolation. This can make such vector field analysis unsuitable for rigorous interpretations. We advocate the use of Morse decompositions, which are robust with respect to perturbations, to encode the topological structures of a vector field in the form of a directed graph, called a Morse connection graph (MCG). While an MCG exists for every vector field, it need not be unique. Previous techniques for computing MCG's, while fast, are overly conservative and usually results in MCG's that are too coarse to be useful for the applications. To address this issue, we present a new technique for performing Morse decomposition based on the concept of tau-maps, which typically provides finer MCG's than existing techniques. Furthermore, the choice of tau provides a natural tradeoff between the fineness of the MCG's and the computational costs. We provide efficient implementations of Morse decomposition based on tau-maps, which include the use of forward and backward mapping techniques and an adaptive approach in constructing better approximations of the images of the triangles in the meshes used for simulation.. Furthermore, we propose the use of spatial tau-maps in addition to the original temporal tau-maps. These techniques provide additional trade-offs between the quality of the MCGs and the speed of computation. We demonstrate the utility of our technique with various examples in the plane and on surfaces including engine simulation data sets.

  3. Identifying key nodes in multilayer networks based on tensor decomposition.

    PubMed

    Wang, Dingjie; Wang, Haitao; Zou, Xiufen

    2017-06-01

    The identification of essential agents in multilayer networks characterized by different types of interactions is a crucial and challenging topic, one that is essential for understanding the topological structure and dynamic processes of multilayer networks. In this paper, we use the fourth-order tensor to represent multilayer networks and propose a novel method to identify essential nodes based on CANDECOMP/PARAFAC (CP) tensor decomposition, referred to as the EDCPTD centrality. This method is based on the perspective of multilayer networked structures, which integrate the information of edges among nodes and links between different layers to quantify the importance of nodes in multilayer networks. Three real-world multilayer biological networks are used to evaluate the performance of the EDCPTD centrality. The bar chart and ROC curves of these multilayer networks indicate that the proposed approach is a good alternative index to identify real important nodes. Meanwhile, by comparing the behavior of both the proposed method and the aggregated single-layer methods, we demonstrate that neglecting the multiple relationships between nodes may lead to incorrect identification of the most versatile nodes. Furthermore, the Gene Ontology functional annotation demonstrates that the identified top nodes based on the proposed approach play a significant role in many vital biological processes. Finally, we have implemented many centrality methods of multilayer networks (including our method and the published methods) and created a visual software based on the MATLAB GUI, called ENMNFinder, which can be used by other researchers.

  4. Identifying key nodes in multilayer networks based on tensor decomposition

    NASA Astrophysics Data System (ADS)

    Wang, Dingjie; Wang, Haitao; Zou, Xiufen

    2017-06-01

    The identification of essential agents in multilayer networks characterized by different types of interactions is a crucial and challenging topic, one that is essential for understanding the topological structure and dynamic processes of multilayer networks. In this paper, we use the fourth-order tensor to represent multilayer networks and propose a novel method to identify essential nodes based on CANDECOMP/PARAFAC (CP) tensor decomposition, referred to as the EDCPTD centrality. This method is based on the perspective of multilayer networked structures, which integrate the information of edges among nodes and links between different layers to quantify the importance of nodes in multilayer networks. Three real-world multilayer biological networks are used to evaluate the performance of the EDCPTD centrality. The bar chart and ROC curves of these multilayer networks indicate that the proposed approach is a good alternative index to identify real important nodes. Meanwhile, by comparing the behavior of both the proposed method and the aggregated single-layer methods, we demonstrate that neglecting the multiple relationships between nodes may lead to incorrect identification of the most versatile nodes. Furthermore, the Gene Ontology functional annotation demonstrates that the identified top nodes based on the proposed approach play a significant role in many vital biological processes. Finally, we have implemented many centrality methods of multilayer networks (including our method and the published methods) and created a visual software based on the MATLAB GUI, called ENMNFinder, which can be used by other researchers.

  5. Electrocardiogram signal denoising based on empirical mode decomposition technique: an overview

    NASA Astrophysics Data System (ADS)

    Han, G.; Lin, B.; Xu, Z.

    2017-03-01

    Electrocardiogram (ECG) signal is nonlinear and non-stationary weak signal which reflects whether the heart is functioning normally or abnormally. ECG signal is susceptible to various kinds of noises such as high/low frequency noises, powerline interference and baseline wander. Hence, the removal of noises from ECG signal becomes a vital link in the ECG signal processing and plays a significant role in the detection and diagnosis of heart diseases. The review will describe the recent developments of ECG signal denoising based on Empirical Mode Decomposition (EMD) technique including high frequency noise removal, powerline interference separation, baseline wander correction, the combining of EMD and Other Methods, EEMD technique. EMD technique is a quite potential and prospective but not perfect method in the application of processing nonlinear and non-stationary signal like ECG signal. The EMD combined with other algorithms is a good solution to improve the performance of noise cancellation. The pros and cons of EMD technique in ECG signal denoising are discussed in detail. Finally, the future work and challenges in ECG signal denoising based on EMD technique are clarified.

  6. Multilevel decomposition of complete vehicle configuration in a parallel computing environment

    NASA Technical Reports Server (NTRS)

    Bhatt, Vinay; Ragsdell, K. M.

    1989-01-01

    This research summarizes various approaches to multilevel decomposition to solve large structural problems. A linear decomposition scheme based on the Sobieski algorithm is selected as a vehicle for automated synthesis of a complete vehicle configuration in a parallel processing environment. The research is in a developmental state. Preliminary numerical results are presented for several example problems.

  7. Direct asymmetric N-specific reaction of nitrosobenzene with aldehydes catalyzed by a chiral primary amine-based organocatalyst.

    PubMed

    Qin, Long; Li, Lei; Yi, Lei; Da, Chao-Shan; Zhou, Yi-Feng

    2011-08-01

    Nitroso compounds have two reactive nitrogen and oxygen atoms. It is interesting and important to perform a nitrogen or oxygen selective reaction with interesting substrates. These atom specific reactions are crucial to specifically synthesis of specific compounds. An enantioselective N-specific reaction of nitrosobenzene with unmodified aldehydes was successfully achieved catalyzed first by a variety of primary amine-based organocatalysts with higher yield and enantioselectivity. The bulkier substituted groups of the organocatalyst and two hydrogen bonds from the organocatalyst and the oxygen atom of nitrosobenzene make the reaction preferentially N-specific and predominantly afford R products. Copyright © 2011 Wiley-Liss, Inc.

  8. Morphological decomposition of 2-D binary shapes into convex polygons: a heuristic algorithm.

    PubMed

    Xu, J

    2001-01-01

    In many morphological shape decomposition algorithms, either a shape can only be decomposed into shape components of extremely simple forms or a time consuming search process is employed to determine a decomposition. In this paper, we present a morphological shape decomposition algorithm that decomposes a two-dimensional (2-D) binary shape into a collection of convex polygonal components. A single convex polygonal approximation for a given image is first identified. This first component is determined incrementally by selecting a sequence of basic shape primitives. These shape primitives are chosen based on shape information extracted from the given shape at different scale levels. Additional shape components are identified recursively from the difference image between the given image and the first component. Simple operations are used to repair certain concavities caused by the set difference operation. The resulting hierarchical structure provides descriptions for the given shape at different detail levels. The experiments show that the decomposition results produced by the algorithm seem to be in good agreement with the natural structures of the given shapes. The computational cost of the algorithm is significantly lower than that of an earlier search-based convex decomposition algorithm. Compared to nonconvex decomposition algorithms, our algorithm allows accurate approximations for the given shapes at low coding costs.

  9. Ensemble empirical mode decomposition based fluorescence spectral noise reduction for low concentration PAHs

    NASA Astrophysics Data System (ADS)

    Wang, Shu-tao; Yang, Xue-ying; Kong, De-ming; Wang, Yu-tian

    2017-11-01

    A new noise reduction method based on ensemble empirical mode decomposition (EEMD) is proposed to improve the detection effect for fluorescence spectra. Polycyclic aromatic hydrocarbons (PAHs) pollutants, as a kind of important current environmental pollution source, are highly oncogenic. Using the fluorescence spectroscopy method, the PAHs pollutants can be detected. However, instrument will produce noise in the experiment. Weak fluorescent signals can be affected by noise, so we propose a way to denoise and improve the detection effect. Firstly, we use fluorescence spectrometer to detect PAHs to obtain fluorescence spectra. Subsequently, noises are reduced by EEMD algorithm. Finally, the experiment results show the proposed method is feasible.

  10. Bivariate empirical mode decomposition for ECG-based biometric identification with emotional data.

    PubMed

    Ferdinando, Hany; Seppanen, Tapio; Alasaarela, Esko

    2017-07-01

    Emotions modulate ECG signals such that they might affect ECG-based biometric identification in real life application. It motivated in finding good feature extraction methods where the emotional state of the subjects has minimum impacts. This paper evaluates feature extraction based on bivariate empirical mode decomposition (BEMD) for biometric identification when emotion is considered. Using the ECG signal from the Mahnob-HCI database for affect recognition, the features were statistical distributions of dominant frequency after applying BEMD analysis to ECG signals. The achieved accuracy was 99.5% with high consistency using kNN classifier in 10-fold cross validation to identify 26 subjects when the emotional states of the subjects were ignored. When the emotional states of the subject were considered, the proposed method also delivered high accuracy, around 99.4%. We concluded that the proposed method offers emotion-independent features for ECG-based biometric identification. The proposed method needs more evaluation related to testing with other classifier and variation in ECG signals, e.g. normal ECG vs. ECG with arrhythmias, ECG from various ages, and ECG from other affective databases.

  11. Efficient palladium-catalyzed asymmetric allylic alkylation of ketones and aldehydes.

    PubMed

    Zhao, Xiaohu; Liu, Delong; Xie, Fang; Liu, Yangang; Zhang, Wanbin

    2011-03-21

    Palladium-catalyzed asymmetric allylic alkylation of ketones, via enamines generated in situ as nucleophiles, were carried out smoothly with chiral metallocene-based P,N-ligands. Under the same conditions, however, reactions of aldehydes could hardly be observed. Subsequently, this obstacle was resolved by using chiral metallocene-based P,P-ligands. Both ketones and aldehydes afforded excellent enantioselectivities with up to 98% ee and 94% ee, respectively.

  12. Prediction of the Maximum Temperature for Life Based on the Stability of Metabolites to Decomposition in Water

    PubMed Central

    Bains, William; Xiao, Yao; Yu, Changyong

    2015-01-01

    The components of life must survive in a cell long enough to perform their function in that cell. Because the rate of attack by water increases with temperature, we can, in principle, predict a maximum temperature above which an active terrestrial metabolism cannot function by analysis of the decomposition rates of the components of life, and comparison of those rates with the metabolites’ minimum metabolic half-lives. The present study is a first step in this direction, providing an analytical framework and method, and analyzing the stability of 63 small molecule metabolites based on literature data. Assuming that attack by water follows a first order rate equation, we extracted decomposition rate constants from literature data and estimated their statistical reliability. The resulting rate equations were then used to give a measure of confidence in the half-life of the metabolite concerned at different temperatures. There is little reliable data on metabolite decomposition or hydrolysis rates in the literature, the data is mostly confined to a small number of classes of chemicals, and the data available are sometimes mutually contradictory because of varying reaction conditions. However, a preliminary analysis suggests that terrestrial biochemistry is limited to environments below ~150–180 °C. We comment briefly on why pressure is likely to have a small effect on this. PMID:25821932

  13. Study on the decomposition of trace benzene over V2O5-WO3 ...

    EPA Pesticide Factsheets

    Commercial and laboratory-prepared V2O5–WO3/TiO2-based catalysts with different compositions were tested for catalytic decomposition of chlorobenzene (ClBz) in simulated flue gas. Resonance enhanced multiphoton ionization-time of flight mass spectrometry (REMPI-TOFMS) was employed to measure real-time, trace concentrations of ClBz contained in the flue gas before and after the catalyst. The effects of various parameters, including vanadium content of the catalyst, the catalyst support, as well as the reaction temperature on decomposition of ClBz were investigated. The results showed that the ClBz decomposition efficiency was significantly enhanced when nano-TiO2 instead of conventional TiO2 was used as the catalyst support. No promotion effects were found in the ClBz decomposition process when the catalysts were wet-impregnated with CuO and CeO2. Tests with different concentrations (1,000, 500, and 100 ppb) of ClBz showed that ClBz-decomposition efficiency decreased with increasing concentration, unless active sites were plentiful. A comparison between ClBz and benzene decomposition on the V2O5–WO3/TiO2-based catalyst and the relative kinetics analysis showed that two different active sites were likely involved in the decomposition mechanism and the V=O and V-O-Ti groups may only work for the degradation of the phenyl group and the benzene ring rather than the C-Cl bond. V2O5-WO3/TiO2 based catalysts, that have been used for destruction of a wide variet

  14. Palladium catalyzed hydrogenation of bio-oils and organic compounds

    DOEpatents

    Elliott, Douglas C [Kennewick, WA; Hu, Jianli [Richland, WA; Hart,; Todd, R [Kennewick, WA; Neuenschwander, Gary G [Burbank, WA

    2011-06-07

    The invention provides palladium-catalyzed hydrogenations of bio-oils and certain organic compounds. Experimental results have shown unexpected and superior results for palladium-catalyzed hydrogenations of organic compounds typically found in bio-oils.

  15. Palladium catalyzed hydrogenation of bio-oils and organic compounds

    DOEpatents

    Elliott, Douglas C [Richland, WA; Hu, Jianli [Kennewick, WA; Hart, Todd R [Kennewick, WA; Neuenschwander, Gary G [Burbank, WA

    2008-09-16

    The invention provides palladium-catalyzed hydrogenations of bio-oils and certain organic compounds. Experimental results have shown unexpected and superior results for palladium-catalyzed hydrogenations of organic compounds typically found in bio-oils.

  16. Radiation noise of the bearing applied to the ceramic motorized spindle based on the sub-source decomposition method

    NASA Astrophysics Data System (ADS)

    Bai, X. T.; Wu, Y. H.; Zhang, K.; Chen, C. Z.; Yan, H. P.

    2017-12-01

    This paper mainly focuses on the calculation and analysis on the radiation noise of the angular contact ball bearing applied to the ceramic motorized spindle. The dynamic model containing the main working conditions and structural parameters is established based on dynamic theory of rolling bearing. The sub-source decomposition method is introduced in for the calculation of the radiation noise of the bearing, and a comparative experiment is adopted to check the precision of the method. Then the comparison between the contribution of different components is carried out in frequency domain based on the sub-source decomposition method. The spectrum of radiation noise of different components under various rotation speeds are used as the basis of assessing the contribution of different eigenfrequencies on the radiation noise of the components, and the proportion of friction noise and impact noise is evaluated as well. The results of the research provide the theoretical basis for the calculation of bearing noise, and offers reference to the impact of different components on the radiation noise of the bearing under different rotation speed.

  17. Mechanism of the Thermal Decomposition of Ethanethiol and Dimethylsulfide

    NASA Astrophysics Data System (ADS)

    Melhado, William Francis; Whitman, Jared Connor; Kong, Jessica; Anderson, Daniel Easton; Vasiliou, AnGayle (AJ)

    2016-06-01

    Combustion of organosulfur contaminants in petroleum-based fuels and biofuels produces sulfur oxides (SO_x). These pollutants are highly regulated by the EPA because they have been linked to poor respiratory health and negative environmental impacts. Therefore much effort has been made to remove sulfur compounds in petroleum-based fuels and biofuels. Currently desulfurization methods used in the fuel industry are costly and inefficient. Research of the thermal decomposition mechanisms of organosulfur species can be implemented via engineering simulations to modify existing refining technologies to design more efficient sulfur removal processes. We have used a resistively-heated SiC tubular reactor to study the thermal decomposition of ethanethiol (CH_3CH_2SH) and dimethylsulfide (CH_3SCH_3). The decomposition products are identified by two independent techniques: 118.2 nm VUV photoionization mass spectroscopy and infrared spectroscopy. The thermal cracking products for CH_3CH_2SH are CH_2CH_2, SH, and H_2S and the thermal cracking products from CH_3SCH_3 are CH_3S, CH_2S, and CH_3.

  18. Optical colour image watermarking based on phase-truncated linear canonical transform and image decomposition

    NASA Astrophysics Data System (ADS)

    Su, Yonggang; Tang, Chen; Li, Biyuan; Lei, Zhenkun

    2018-05-01

    This paper presents a novel optical colour image watermarking scheme based on phase-truncated linear canonical transform (PT-LCT) and image decomposition (ID). In this proposed scheme, a PT-LCT-based asymmetric cryptography is designed to encode the colour watermark into a noise-like pattern, and an ID-based multilevel embedding method is constructed to embed the encoded colour watermark into a colour host image. The PT-LCT-based asymmetric cryptography, which can be optically implemented by double random phase encoding with a quadratic phase system, can provide a higher security to resist various common cryptographic attacks. And the ID-based multilevel embedding method, which can be digitally implemented by a computer, can make the information of the colour watermark disperse better in the colour host image. The proposed colour image watermarking scheme possesses high security and can achieve a higher robustness while preserving the watermark’s invisibility. The good performance of the proposed scheme has been demonstrated by extensive experiments and comparison with other relevant schemes.

  19. Canonical decomposition of magnetotelluric responses: Experiment on 1D anisotropic structures

    NASA Astrophysics Data System (ADS)

    Guo, Ze-qiu; Wei, Wen-bo; Ye, Gao-feng; Jin, Sheng; Jing, Jian-en

    2015-08-01

    Horizontal electrical heterogeneity of subsurface earth is mostly originated from structural complexity and electrical anisotropy, and local near-surface electrical heterogeneity will severely distort regional electromagnetic responses. Conventional distortion analyses for magnetotelluric soundings are primarily physical decomposition methods with respect to isotropic models, which mostly presume that the geoelectric distribution of geological structures is of local and regional patterns represented by 3D/2D models. Due to the widespread anisotropy of earth media, the confusion between 1D anisotropic responses and 2D isotropic responses, and the defects of physical decomposition methods, we propose to conduct modeling experiments with canonical decomposition in terms of 1D layered anisotropic models, and the method is one of the mathematical decomposition methods based on eigenstate analyses differentiated from distortion analyses, which can be used to recover electrical information such as strike directions, and maximum and minimum conductivity. We tested this method with numerical simulation experiments on several 1D synthetic models, which turned out that canonical decomposition is quite effective to reveal geological anisotropic information. Finally, for the background of anisotropy from previous study by geological and seismological methods, canonical decomposition is applied to real data acquired in North China Craton for 1D anisotropy analyses, and the result shows that, with effective modeling and cautious interpretation, canonical decomposition could be another good method to detect anisotropy of geological media.

  20. Protection from wintertime rainfall reduces nutrient losses and greenhouse gas emissions during the decomposition of poultry and horse manure-based amendments.

    PubMed

    Maltais-Landry, Gabriel; Neufeld, Katarina; Poon, David; Grant, Nicholas; Nesic, Zoran; Smukler, Sean

    2018-04-01

    Manure-based soil amendments (herein "amendments") are important fertility sources, but differences among amendment types and management can significantly affect their nutrient value and environmental impacts. A 6-month in situ decomposition experiment was conducted to determine how protection from wintertime rainfall affected nutrient losses and greenhouse gas (GHG) emissions in poultry (broiler chicken and turkey) and horse amendments. Changes in total nutrient concentration were measured every 3 months, changes in ammonium (NH 4 + ) and nitrate (NO 3 - ) concentrations every month, and GHG emissions of carbon dioxide (CO 2 ), methane (CH 4 ), and nitrous oxide (N 2 O) every 7-14 days. Poultry amendments maintained higher nutrient concentrations (except for K), higher emissions of CO 2 and N 2 O, and lower CH 4 emissions than horse amendments. Exposing amendments to rainfall increased total N and NH 4 + losses in poultry amendments, P losses in turkey and horse amendments, and K losses and cumulative N 2 O emissions for all amendments. However, it did not affect CO 2 or CH 4 emissions. Overall, rainfall exposure would decrease total N inputs by 37% (horse), 59% (broiler chicken), or 74% (turkey) for a given application rate (wet weight basis) after 6 months of decomposition, with similar losses for NH 4 + (69-96%), P (41-73%), and K (91-97%). This study confirms the benefits of facilities protected from rainfall to reduce nutrient losses and GHG emissions during amendment decomposition. The impact of rainfall protection on nutrient losses and GHG emissions was monitored during the decomposition of broiler chicken, turkey, and horse manure-based soil amendments. Amendments exposed to rainfall had large ammonium and potassium losses, resulting in a 37-74% decrease in N inputs when compared with amendments protected from rainfall. Nitrous oxide emissions were also higher with rainfall exposure, although it had no effect on carbon dioxide and methane emissions

  1. Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

    NASA Astrophysics Data System (ADS)

    Rai, Prashant; Sargsyan, Khachik; Najm, Habib; Hermes, Matthew R.; Hirata, So

    2017-09-01

    A new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrational zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss-Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm-1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.

  2. Lumley decomposition of turbulent boundary layer at high Reynolds numbers

    NASA Astrophysics Data System (ADS)

    Tutkun, Murat; George, William K.

    2017-02-01

    The decomposition proposed by Lumley in 1966 is applied to a high Reynolds number turbulent boundary layer. The experimental database was created by a hot-wire rake of 143 probes in the Laboratoire de Mécanique de Lille wind tunnel. The Reynolds numbers based on momentum thickness (Reθ) are 9800 and 19 100. Three-dimensional decomposition is performed, namely, proper orthogonal decomposition (POD) in the inhomogeneous and bounded wall-normal direction, Fourier decomposition in the homogeneous spanwise direction, and Fourier decomposition in time. The first POD modes in both cases carry nearly 50% of turbulence kinetic energy when the energy is integrated over Fourier dimensions. The eigenspectra always peak near zero frequency and most of the large scale, energy carrying features are found at the low end of the spectra. The spanwise Fourier mode which has the largest amount of energy is the first spanwise mode and its symmetrical pair. Pre-multiplied eigenspectra have only one distinct peak and it matches the secondary peak observed in the log-layer of pre-multiplied velocity spectra. Energy carrying modes obtained from the POD scale with outer scaling parameters. Full or partial reconstruction of turbulent velocity signal based only on energetic modes or non-energetic modes revealed the behaviour of urms in distinct regions across the boundary layer. When urms is based on energetic reconstruction, there exists (a) an exponential decay from near wall to log-layer, (b) a constant layer through the log-layer, and (c) another exponential decay in the outer region. The non-energetic reconstruction reveals that urms has (a) an exponential decay from the near-wall to the end of log-layer and (b) a constant layer in the outer region. Scaling of urms using the outer parameters is best when both energetic and non-energetic profiles are combined.

  3. Zinc-catalyzed allenylations of aldehydes and ketones.

    PubMed

    Fandrick, Daniel R; Saha, Jaideep; Fandrick, Keith R; Sanyal, Sanjit; Ogikubo, Junichi; Lee, Heewon; Roschangar, Frank; Song, Jinhua J; Senanayake, Chris H

    2011-10-21

    The general zinc-catalyzed allenylation of aldehydes and ketones with an allenyl boronate is presented. Preliminary mechanistic studies support a kinetically controlled process wherein, after a site-selective B/Zn exchange to generate a propargyl zinc intermediate, the addition to the electrophile effectively competes with propargyl-allenyl zinc equilibration. The utility of the methodology was demonstrated by application to a rhodium-catalyzed [4+2] cycloaddition. © 2011 American Chemical Society

  4. Mechanistic Insight Facilitates Discovery of a Mild and Efficient Copper-Catalyzed Dehydration of Primary Amides to Nitriles Using Hydrosilanes.

    PubMed

    Liu, Richard Y; Bae, Minwoo; Buchwald, Stephen L

    2018-02-07

    Metal-catalyzed silylative dehydration of primary amides is an economical approach to the synthesis of nitriles. We report a copper-hydride(CuH)-catalyzed process that avoids a typically challenging 1,2-siloxane elimination step, thereby dramatically increasing the rate of the overall transformation relative to alternative metal-catalyzed systems. This new reaction proceeds at ambient temperature, tolerates a variety of metal-, acid-, or base-sensitive functional groups, and can be performed using a simple ligand, inexpensive siloxanes, and low catalyst loading.

  5. Long-term litter decomposition controlled by manganese redox cycling

    DOE PAGES

    Keiluweit, Marco; Nico, Peter S.; Harmon, Mark; ...

    2015-09-08

    Litter decomposition is a keystone ecosystem process impacting nutrient cycling and productivity, soil properties, and the terrestrial carbon (C) balance, but the factors regulating decomposition rate are still poorly understood. Traditional models assume that the rate is controlled by litter quality, relying on parameters such as lignin content as predictors. However, a strong correlation has been observed between the manganese (Mn) content of litter and decomposition rates across a variety of forest ecosystems. Here, we show that long-term litter decomposition in forest ecosystems is tightly coupled to Mn redox cycling. Over 7 years of litter decomposition, microbial transformation of littermore » was paralleled by variations in Mn oxidation state and concentration. A detailed chemical imaging analysis of the litter revealed that fungi recruit and redistribute unreactive Mn 2+ provided by fresh plant litter to produce oxidative Mn 3+ species at sites of active decay, with Mn eventually accumulating as insoluble Mn 3+/4+ oxides. Formation of reactive Mn 3+ species coincided with the generation of aromatic oxidation products, providing direct proof of the previously posited role of Mn 3+-based oxidizers in the breakdown of litter. Our results suggest that the litter-decomposing machinery at our coniferous forest site depends on the ability of plants and microbes to supply, accumulate, and regenerate short-lived Mn 3+ species in the litter layer. As a result, this observation indicates that biogeochemical constraints on bioavailability, mobility, and reactivity of Mn in the plant–soil system may have a profound impact on litter decomposition rates.« less

  6. Long-term litter decomposition controlled by manganese redox cycling

    PubMed Central

    Keiluweit, Marco; Nico, Peter; Harmon, Mark E.; Mao, Jingdong; Pett-Ridge, Jennifer; Kleber, Markus

    2015-01-01

    Litter decomposition is a keystone ecosystem process impacting nutrient cycling and productivity, soil properties, and the terrestrial carbon (C) balance, but the factors regulating decomposition rate are still poorly understood. Traditional models assume that the rate is controlled by litter quality, relying on parameters such as lignin content as predictors. However, a strong correlation has been observed between the manganese (Mn) content of litter and decomposition rates across a variety of forest ecosystems. Here, we show that long-term litter decomposition in forest ecosystems is tightly coupled to Mn redox cycling. Over 7 years of litter decomposition, microbial transformation of litter was paralleled by variations in Mn oxidation state and concentration. A detailed chemical imaging analysis of the litter revealed that fungi recruit and redistribute unreactive Mn2+ provided by fresh plant litter to produce oxidative Mn3+ species at sites of active decay, with Mn eventually accumulating as insoluble Mn3+/4+ oxides. Formation of reactive Mn3+ species coincided with the generation of aromatic oxidation products, providing direct proof of the previously posited role of Mn3+-based oxidizers in the breakdown of litter. Our results suggest that the litter-decomposing machinery at our coniferous forest site depends on the ability of plants and microbes to supply, accumulate, and regenerate short-lived Mn3+ species in the litter layer. This observation indicates that biogeochemical constraints on bioavailability, mobility, and reactivity of Mn in the plant–soil system may have a profound impact on litter decomposition rates. PMID:26372954

  7. Long-term litter decomposition controlled by manganese redox cycling.

    PubMed

    Keiluweit, Marco; Nico, Peter; Harmon, Mark E; Mao, Jingdong; Pett-Ridge, Jennifer; Kleber, Markus

    2015-09-22

    Litter decomposition is a keystone ecosystem process impacting nutrient cycling and productivity, soil properties, and the terrestrial carbon (C) balance, but the factors regulating decomposition rate are still poorly understood. Traditional models assume that the rate is controlled by litter quality, relying on parameters such as lignin content as predictors. However, a strong correlation has been observed between the manganese (Mn) content of litter and decomposition rates across a variety of forest ecosystems. Here, we show that long-term litter decomposition in forest ecosystems is tightly coupled to Mn redox cycling. Over 7 years of litter decomposition, microbial transformation of litter was paralleled by variations in Mn oxidation state and concentration. A detailed chemical imaging analysis of the litter revealed that fungi recruit and redistribute unreactive Mn(2+) provided by fresh plant litter to produce oxidative Mn(3+) species at sites of active decay, with Mn eventually accumulating as insoluble Mn(3+/4+) oxides. Formation of reactive Mn(3+) species coincided with the generation of aromatic oxidation products, providing direct proof of the previously posited role of Mn(3+)-based oxidizers in the breakdown of litter. Our results suggest that the litter-decomposing machinery at our coniferous forest site depends on the ability of plants and microbes to supply, accumulate, and regenerate short-lived Mn(3+) species in the litter layer. This observation indicates that biogeochemical constraints on bioavailability, mobility, and reactivity of Mn in the plant-soil system may have a profound impact on litter decomposition rates.

  8. Decomposition of energetic chemicals contaminated with iron or stainless steel.

    PubMed

    Chervin, Sima; Bodman, Glenn T; Barnhart, Richard W

    2006-03-17

    Contamination of chemicals or reaction mixtures with iron or stainless steel is likely to take place during chemical processing. If energetic and thermally unstable chemicals are involved in a manufacturing process, contamination with iron or stainless steel can impact the decomposition characteristics of these chemicals and, subsequently, the safety of the processes, and should be investigated. The goal of this project was to undertake a systematic approach to study the impact of iron or stainless steel contamination on the decomposition characteristics of different chemical classes. Differential scanning calorimetry (DSC) was used to study the decomposition reaction by testing each chemical pure, and in mixtures with iron and stainless steel. The following classes of energetic chemicals were investigated: nitrobenzenes, tetrazoles, hydrazines, hydroxylamines and oximes, sulfonic acid derivatives and monomers. The following non-energetic groups were investigated for contributing effects: halogens, hydroxyls, amines, amides, nitriles, sulfonic acid esters, carbonyl halides and salts of hydrochloric acid. Based on the results obtained, conclusions were drawn regarding the sensitivity of the decomposition reaction to contamination with iron and stainless steel for the chemical classes listed above. It was demonstrated that the most sensitive classes are hydrazines and hydroxylamines/oximes. Contamination of these chemicals with iron or stainless steel not only destabilizes them, leading to decomposition at significantly lower temperatures, but also sometimes causes increased severity of the decomposition. The sensitivity of nitrobenzenes to contamination with iron or stainless steel depended upon the presence of other contributing groups: the presence of such groups as acid chlorides or chlorine/fluorine significantly increased the effect of contamination on decomposition characteristics of nitrobenzenes. The decomposition of sulfonic acid derivatives and tetrazoles

  9. Structural investigation of oxovanadium(IV) Schiff base complexes: X-ray crystallography, electrochemistry and kinetic of thermal decomposition.

    PubMed

    Asadi, Mozaffar; Asadi, Zahra; Savaripoor, Nooshin; Dusek, Michal; Eigner, Vaclav; Shorkaei, Mohammad Ranjkesh; Sedaghat, Moslem

    2015-02-05

    A series of new VO(IV) complexes of tetradentate N2O2 Schiff base ligands (L(1)-L(4)), were synthesized and characterized by FT-IR, UV-vis and elemental analysis. The structure of the complex VOL(1)⋅DMF was also investigated by X-ray crystallography which revealed a vanadyl center with distorted octahedral coordination where the 2-aza and 2-oxo coordinating sites of the ligand were perpendicular to the "-yl" oxygen. The electrochemical properties of the vanadyl complexes were investigated by cyclic voltammetry. A good correlation was observed between the oxidation potentials and the electron withdrawing character of the substituents on the Schiff base ligands, showing the following trend: MeOdecomposition. The formation constants with various substituents on the aldehyde ring follow the trend 5-OMe>5-H>5-Br>5-Cl. Furthermore, the kinetic parameters of thermal decomposition were calculated by using the Coats-Redfern equation. According to the Coats-Redfern plots the kinetics of thermal decomposition of studied complexes is of the first-order in all stages, the free energy of activation for each following stage is larger than the previous one and the complexes have good thermal stability. The preparation of VOL(1)⋅DMF yielded also another compound, one kind of vanadium oxide [VO]X, with different habitus of crystals, (platelet instead of prisma) and without L(1) ligand, consisting of a V10O28 cage, diaminium moiety and dimethylamonium as a counter ions. Because its crystal structure was also new, we reported it along with the targeted complex. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Palladium-Catalyzed Indole, Pyrrole, and Furan Arylation by Aryl Chlorides

    PubMed Central

    Nadres, Enrico T.; Lazareva, Anna; Daugulis, Olafs

    2011-01-01

    The palladium-catalyzed direct arylation of indoles, pyrroles, and furans by aryl chlorides has been demonstrated. The method employs a palladium acetate catalyst, 2-(dicyclohexylphosphino)-biphenyl ligand, and an inorganic base. Electron-rich and electron-poor aryl chlorides as well as chloropyridine coupling partners can be used and arylated heterocycles are obtained in moderate to good yields. Optimization of base, ligand, and solvent is required for achieving best results. PMID:21192652

  11. Complete Decomposition of Li2CO3 in Li-O2 Batteries Using Ir/B4C as Noncarbon-Based Oxygen Electrode.

    PubMed

    Song, Shidong; Xu, Wu; Zheng, Jianming; Luo, Langli; Engelhard, Mark H; Bowden, Mark E; Liu, Bin; Wang, Chong-Min; Zhang, Ji-Guang

    2017-03-08

    Instability of carbon-based oxygen electrodes and incomplete decomposition of Li 2 CO 3 during charge process are critical barriers for rechargeable Li-O 2 batteries. Here we report the complete decomposition of Li 2 CO 3 in Li-O 2 batteries using the ultrafine iridium-decorated boron carbide (Ir/B 4 C) nanocomposite as a noncarbon based oxygen electrode. The systematic investigation on charging the Li 2 CO 3 preloaded Ir/B 4 C electrode in an ether-based electrolyte demonstrates that the Ir/B 4 C electrode can decompose Li 2 CO 3 with an efficiency close to 100% at a voltage below 4.37 V. In contrast, the bare B 4 C without Ir electrocatalyst can only decompose 4.7% of the preloaded Li 2 CO 3 . Theoretical analysis indicates that the high efficiency decomposition of Li 2 CO 3 can be attributed to the synergistic effects of Ir and B 4 C. Ir has a high affinity for oxygen species, which could lower the energy barrier for electrochemical oxidation of Li 2 CO 3 . B 4 C exhibits much higher chemical and electrochemical stability than carbon-based electrodes and high catalytic activity for Li-O 2 reactions. A Li-O 2 battery using Ir/B 4 C as the oxygen electrode material shows highly enhanced cycling stability than those using the bare B 4 C oxygen electrode. Further development of these stable oxygen-electrodes could accelerate practical applications of Li-O 2 batteries.

  12. Synthesis of 1-methyleneindenes via palladium-catalyzed tandem reactions.

    PubMed

    Ye, Shengqing; Gao, Ke; Zhou, Haibo; Yang, Xiaodi; Wu, Jie

    2009-09-28

    Palladium-catalyzed tandem reactions of 2-alkenylphenyl-acetylenes with CuCl2 or CuBr2 afforded 3-chloro- or 3-bromo-1-methyleneindenes in good yields; these compounds could be further elaborated via palladium-catalyzed coupling reactions.

  13. Palladium-catalyzed cocyclotrimerization of arynes with a pyramidalized alkene.

    PubMed

    Alonso, José M; Quiroga, Sabela; Codony, Sandra; Turcu, Andreea L; Barniol-Xicota, Marta; Pérez, Dolores; Guitián, Enrique; Vázquez, Santiago; Peña, Diego

    2018-05-23

    The metal-catalyzed [2+2+2] cocycloaddition of arynes with pyramidalized alkenes is presented. The generation of a highly reactive pyramidalized alkene in the presence of a large excess of in situ-produced arynes led to the corresponding cocyclotrimerization (1 : 2)-adducts in good yields, establishing the first example of a palladium-based reaction of a pyramidalized alkene.

  14. Decomposition and extraction: a new framework for visual classification.

    PubMed

    Fang, Yuqiang; Chen, Qiang; Sun, Lin; Dai, Bin; Yan, Shuicheng

    2014-08-01

    In this paper, we present a novel framework for visual classification based on hierarchical image decomposition and hybrid midlevel feature extraction. Unlike most midlevel feature learning methods, which focus on the process of coding or pooling, we emphasize that the mechanism of image composition also strongly influences the feature extraction. To effectively explore the image content for the feature extraction, we model a multiplicity feature representation mechanism through meaningful hierarchical image decomposition followed by a fusion step. In particularly, we first propose a new hierarchical image decomposition approach in which each image is decomposed into a series of hierarchical semantical components, i.e, the structure and texture images. Then, different feature extraction schemes can be adopted to match the decomposed structure and texture processes in a dissociative manner. Here, two schemes are explored to produce property related feature representations. One is based on a single-stage network over hand-crafted features and the other is based on a multistage network, which can learn features from raw pixels automatically. Finally, those multiple midlevel features are incorporated by solving a multiple kernel learning task. Extensive experiments are conducted on several challenging data sets for visual classification, and experimental results demonstrate the effectiveness of the proposed method.

  15. Double Bounce Component in Cross-Polarimetric SAR from a New Scattering Target Decomposition

    NASA Astrophysics Data System (ADS)

    Hong, Sang-Hoon; Wdowinski, Shimon

    2013-08-01

    Common vegetation scattering theories assume that the Synthetic Aperture Radar (SAR) cross-polarization (cross-pol) signal represents solely volume scattering. We found this assumption incorrect based on SAR phase measurements acquired over the south Florida Everglades wetlands indicating that the cross-pol radar signal often samples the water surface beneath the vegetation. Based on these new observations, we propose that the cross-pol measurement consists of both volume scattering and double bounce components. The simplest multi-bounce scattering mechanism that generates cross-pol signal occurs by rotated dihedrals. Thus, we use the rotated dihedral mechanism with probability density function to revise some of the vegetation scattering theories and develop a three- component decomposition algorithm with single bounce, double bounce from both co-pol and cross-pol, and volume scattering components. We applied the new decomposition analysis to both urban and rural environments using Radarsat-2 quad-pol datasets. The decomposition of the San Francisco's urban area shows higher double bounce scattering and reduced volume scattering compared to other common three-component decomposition. The decomposition of the rural Everglades area shows that the relations between volume and cross-pol double bounce depend on the vegetation density. The new decomposition can be useful to better understand vegetation scattering behavior over the various surfaces and the estimation of above ground biomass using SAR observations.

  16. Study of SF6 gas decomposition products based on spectroscopy technology

    NASA Astrophysics Data System (ADS)

    Cai, Ji-xing; Na, Yan-xiang; Ni, Wei-yuan; Li, Guo-wei; Feng, Ke-cheng; Song, Gui-cai

    2011-08-01

    With the rapid development of power industry, the number of SF6 electrical equipment are increasing, it has gradually replaced the traditional insulating oil material as insulation and arc media in the high-voltage electrical equipment. Pure SF6 gas has excellent insulating properties and arc characteristics; however, under the effect of the strong arc, SF6 gas will decompose and generate toxic substances, then corroding electrical equipment, thereby affecting the insulation and arc ability of electrical equipment. If excessive levels of impurities in the gas that will seriously affect the mechanical properties, breaking performance and electrical performance of electrical equipment, it will cause many serious consequences, even threaten the safe operation of the grid. This paper main analyzes the basic properties of SF6 gas and the basic situation of decomposition in the discharge conditions, in order to simulate the actual high-voltage electrical equipment, designed and produced a simulation device that can simulate the decomposition of SF6 gas under a high voltage discharge, and using fourier transform infrared spectroscopy to analyze the sample that produced by the simulation device. The result show that the main discharge decomposition product is SO2F2 (sulfuryl fluoride), the substance can react with water and generate corrosive H2SO4(sulfuric acid) and HF (hydrogen fluoride), also found that the increase in the number with the discharge, SO2F2concentration levels are on the rise. Therefore, the material can be used as one of the main characteristic gases to determine the SF6 electrical equipment failure, and to monitor their concentration levels.

  17. Do soil organisms affect aboveground litter decomposition in the semiarid Patagonian steppe, Argentina?

    PubMed

    Araujo, Patricia I; Yahdjian, Laura; Austin, Amy T

    2012-01-01

    Surface litter decomposition in arid and semiarid ecosystems is often faster than predicted by climatic parameters such as annual precipitation or evapotranspiration, or based on standard indices of litter quality such as lignin or nitrogen concentrations. Abiotic photodegradation has been demonstrated to be an important factor controlling aboveground litter decomposition in aridland ecosystems, but soil fauna, particularly macrofauna such as termites and ants, have also been identified as key players affecting litter mass loss in warm deserts. Our objective was to quantify the importance of soil organisms on surface litter decomposition in the Patagonian steppe in the absence of photodegradative effects, to establish the relative importance of soil organisms on rates of mass loss and nitrogen release. We estimated the relative contribution of soil fauna and microbes to litter decomposition of a dominant grass using litterboxes with variable mesh sizes that excluded groups of soil fauna based on size class (10, 2, and 0.01 mm), which were placed beneath shrub canopies. We also employed chemical repellents (naphthalene and fungicide). The exclusion of macro- and mesofauna had no effect on litter mass loss over 3 years (P = 0.36), as litter decomposition was similar in all soil fauna exclusions and naphthalene-treated litter. In contrast, reduction of fungal activity significantly inhibited litter decomposition (P < 0.001). Although soil fauna have been mentioned as a key control of litter decomposition in warm deserts, biogeographic legacies and temperature limitation may constrain the importance of these organisms in temperate aridlands, particularly in the southern hemisphere.

  18. Magnetic Nanoparticle-Based Imaging of RNA Transcripts in Breast Cancer Cells

    DTIC Science & Technology

    2009-06-01

    iron oxide NPs via thermal decomposition. - Prepared gold-coated iron oxide NPs. - Developed a click chemistry protocol (i.e. Cu-catalyzed terminal...D.L.J., Elias, D.R., Tsourkas, A. (2009) Comparative analysis of nanoparticle-antibody conjugations: carbodiimide versus click chemistry . Submitted...carbodiimide versus click chemistry . Submitted. APPENDICES: 1) Thorek, D.L.J., Tsourkas, A. (2008) Size, charge, and concentration dependent

  19. Model-Based Speech Signal Coding Using Optimized Temporal Decomposition for Storage and Broadcasting Applications

    NASA Astrophysics Data System (ADS)

    Athaudage, Chandranath R. N.; Bradley, Alan B.; Lech, Margaret

    2003-12-01

    A dynamic programming-based optimization strategy for a temporal decomposition (TD) model of speech and its application to low-rate speech coding in storage and broadcasting is presented. In previous work with the spectral stability-based event localizing (SBEL) TD algorithm, the event localization was performed based on a spectral stability criterion. Although this approach gave reasonably good results, there was no assurance on the optimality of the event locations. In the present work, we have optimized the event localizing task using a dynamic programming-based optimization strategy. Simulation results show that an improved TD model accuracy can be achieved. A methodology of incorporating the optimized TD algorithm within the standard MELP speech coder for the efficient compression of speech spectral information is also presented. The performance evaluation results revealed that the proposed speech coding scheme achieves 50%-60% compression of speech spectral information with negligible degradation in the decoded speech quality.

  20. Catalyzed Atomic Layer Deposition of Silicon Oxide at Ultralow Temperature Using Alkylamine.

    PubMed

    Mayangsari, Tirta R; Park, Jae-Min; Yusup, Luchana L; Gu, Jiyeon; Yoo, Jin-Hyuk; Kim, Heon-Do; Lee, Won-Jun

    2018-06-12

    We report the catalyzed atomic layer deposition (ALD) of silicon oxide using Si 2 Cl 6 , H 2 O, and various alkylamines. The density functional theory (DFT) calculations using the periodic slab model of the SiO 2 surface were performed for the selection of alternative Lewis base catalysts with high catalytic activities. During the first half-reaction, the catalysts with less steric hindrance such as pyridine would be more effective than bulky alkylamines despite lower nucleophilicity. On the other hand, during the second half-reaction, the catalysts with a high nucleophilicity such as triethylamine (Et 3 N) would be more efficient because the steric hindrance is less critical. The in situ process monitoring shows that the calculated atomic charge is a good indicator for expecting the catalyst activity in the ALD reaction. The use of Et 3 N in the second half-reaction was essential to improving the growth rate as well as the step coverage of the film because the Et 3 N-catalyzed process deposited a SiO 2 film with a step coverage of 98% that is better than 93% of the pyridine-catalyzed process. The adsorption of pyridine, ammonia (NH 3 ), or trimethylamine (Me 3 N) salts was more favorable than that of Et 3 N, n-Pr 3 N, or i Pr 3 N salts. Therefore, Et 3 N was expected to incorporate less amine salts in the film as compared to pyridine, and the compositional analyses confirmed that the concentrations of Cl and N by the Et 3 N-catalyzed process were significantly lower than those by the pyridine-catalyzed process.

  1. Signal enhancement based on complex curvelet transform and complementary ensemble empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Dong, Lieqian; Wang, Deying; Zhang, Yimeng; Zhou, Datong

    2017-09-01

    Signal enhancement is a necessary step in seismic data processing. In this paper we utilize the complementary ensemble empirical mode decomposition (CEEMD) and complex curvelet transform (CCT) methods to separate signal from random noise further to improve the signal to noise (S/N) ratio. Firstly, the original data with noise is decomposed into a series of intrinsic mode function (IMF) profiles with the aid of CEEMD. Then the IMFs with noise are transformed into CCT domain. By choosing different thresholds which are based on the noise level difference of each IMF profile, the noise in original data can be suppressed. Finally, we illustrate the effectiveness of the approach by simulated and field datasets.

  2. Decomposition-Based Failure Mode Identification Method for Risk-Free Design of Large Systems

    NASA Technical Reports Server (NTRS)

    Tumer, Irem Y.; Stone, Robert B.; Roberts, Rory A.; Clancy, Daniel (Technical Monitor)

    2002-01-01

    When designing products, it is crucial to assure failure and risk-free operation in the intended operating environment. Failures are typically studied and eliminated as much as possible during the early stages of design. The few failures that go undetected result in unacceptable damage and losses in high-risk applications where public safety is of concern. Published NASA and NTSB accident reports point to a variety of components identified as sources of failures in the reported cases. In previous work, data from these reports were processed and placed in matrix form for all the system components and failure modes encountered, and then manipulated using matrix methods to determine similarities between the different components and failure modes. In this paper, these matrices are represented in the form of a linear combination of failures modes, mathematically formed using Principal Components Analysis (PCA) decomposition. The PCA decomposition results in a low-dimensionality representation of all failure modes and components of interest, represented in a transformed coordinate system. Such a representation opens the way for efficient pattern analysis and prediction of failure modes with highest potential risks on the final product, rather than making decisions based on the large space of component and failure mode data. The mathematics of the proposed method are explained first using a simple example problem. The method is then applied to component failure data gathered from helicopter, accident reports to demonstrate its potential.

  3. Trading strategy based on dynamic mode decomposition: Tested in Chinese stock market

    NASA Astrophysics Data System (ADS)

    Cui, Ling-xiao; Long, Wen

    2016-11-01

    Dynamic mode decomposition (DMD) is an effective method to capture the intrinsic dynamical modes of complex system. In this work, we adopt DMD method to discover the evolutionary patterns in stock market and apply it to Chinese A-share stock market. We design two strategies based on DMD algorithm. The strategy which considers only timing problem can make reliable profits in a choppy market with no prominent trend while fails to beat the benchmark moving-average strategy in bull market. After considering the spatial information from spatial-temporal coherent structure of DMD modes, we improved the trading strategy remarkably. Then the DMD strategies profitability is quantitatively evaluated by performing SPA test to correct the data-snooping effect. The results further prove that DMD algorithm can model the market patterns well in sideways market.

  4. Titanium-Catalyzed Silicon Nanostructures Grown by APCVD

    NASA Astrophysics Data System (ADS)

    Usman, Mohammad A. U.; Smith, Brady J.; Jackson, Justin B.; De Long, Matthew C.; Miller, Mark S.

    2015-01-01

    We report on growth of Ti-catalyzed silicon nanostructures (SNCs) through atmospheric-pressure chemical vapor deposition. An extensive growth study relating the growth condition parameters, including the partial pressure of SiCl4 gas, reaction temperature, and reaction time, was carried out to obtain insight into the growth regimes for the observed SNCs. Based on phase diagram analysis of Ti-Si alloy and growth rate analysis of the silicon nanowires (SNWs) and silicon nanoplatelets, we believe the growth mechanism to be strongly dependent on the thermodynamics of the system, exhibiting a delicate balance that can easily tip between the growth and etching regimes of the system. Three types of SNCs were observed frequently throughout the study: nanowires, nanoplatelets, and balls. Regimes for highly etched growth were also noted through growth conditions plots. Ti-catalyzed SNWs grown using SiCl4 gas strongly suggest growth occurring through a type of vapor-solid-solid (VSS) mechanism that is limited by diffusion through the solid-catalyst interface. On the other hand, the two-dimensional SNP morphologies suggest growth occurring through the twin-plane mechanism at the edges, at 10 nm to 100 nm scales, also through a similar, VSS mechanism.

  5. A novel hybrid model for air quality index forecasting based on two-phase decomposition technique and modified extreme learning machine.

    PubMed

    Wang, Deyun; Wei, Shuai; Luo, Hongyuan; Yue, Chenqiang; Grunder, Olivier

    2017-02-15

    The randomness, non-stationarity and irregularity of air quality index (AQI) series bring the difficulty of AQI forecasting. To enhance forecast accuracy, a novel hybrid forecasting model combining two-phase decomposition technique and extreme learning machine (ELM) optimized by differential evolution (DE) algorithm is developed for AQI forecasting in this paper. In phase I, the complementary ensemble empirical mode decomposition (CEEMD) is utilized to decompose the AQI series into a set of intrinsic mode functions (IMFs) with different frequencies; in phase II, in order to further handle the high frequency IMFs which will increase the forecast difficulty, variational mode decomposition (VMD) is employed to decompose the high frequency IMFs into a number of variational modes (VMs). Then, the ELM model optimized by DE algorithm is applied to forecast all the IMFs and VMs. Finally, the forecast value of each high frequency IMF is obtained through adding up the forecast results of all corresponding VMs, and the forecast series of AQI is obtained by aggregating the forecast results of all IMFs. To verify and validate the proposed model, two daily AQI series from July 1, 2014 to June 30, 2016 collected from Beijing and Shanghai located in China are taken as the test cases to conduct the empirical study. The experimental results show that the proposed hybrid model based on two-phase decomposition technique is remarkably superior to all other considered models for its higher forecast accuracy. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Experimental and modeling study on decomposition kinetics of methane hydrates in different media.

    PubMed

    Liang, Minyan; Chen, Guangjin; Sun, Changyu; Yan, Lijun; Liu, Jiang; Ma, Qinglan

    2005-10-13

    The decomposition kinetic behaviors of methane hydrates formed in 5 cm3 porous wet activated carbon were studied experimentally in a closed system in the temperature range of 275.8-264.4 K. The decomposition rates of methane hydrates formed from 5 cm3 of pure free water and an aqueous solution of 650 g x m(-3) sodium dodecyl sulfate (SDS) were also measured for comparison. The decomposition rates of methane hydrates in seven different cases were compared. The results showed that the methane hydrates dissociate more rapidly in porous activated carbon than in free systems. A mathematical model was developed for describing the decomposition kinetic behavior of methane hydrates below ice point based on an ice-shielding mechanism in which a porous ice layer was assumed to be formed during the decomposition of hydrate, and the diffusion of methane molecules through it was assumed to be one of the control steps. The parameters of the model were determined by correlating the decomposition rate data, and the activation energies were further determined with respect to three different media. The model was found to well describe the decomposition kinetic behavior of methane hydrate in different media.

  7. Enzyme-catalyzed cationic epoxide rearrangements in quinolone alkaloid biosynthesis.

    PubMed

    Zou, Yi; Garcia-Borràs, Marc; Tang, Mancheng C; Hirayama, Yuichiro; Li, Dehai H; Li, Li; Watanabe, Kenji; Houk, K N; Tang, Yi

    2017-03-01

    Epoxides are highly useful synthons and biosynthons for the construction of complex natural products during total synthesis and biosynthesis, respectively. Among enzyme-catalyzed epoxide transformations, a reaction that is notably missing, in regard to the synthetic toolbox, is cationic rearrangement that takes place under strong acid. This is a challenging transformation for enzyme catalysis, as stabilization of the carbocation intermediate upon epoxide cleavage is required. Here, we discovered two Brønsted acid enzymes that can catalyze two unprecedented epoxide transformations in biology. PenF from the penigequinolone pathway catalyzes a cationic epoxide rearrangement under physiological conditions to generate a quaternary carbon center, while AsqO from the aspoquinolone pathway catalyzes a 3-exo-tet cyclization to forge a cyclopropane-tetrahydrofuran ring system. The discovery of these new epoxide-modifying enzymes further highlights the versatility of epoxides in complexity generation during natural product biosynthesis.

  8. Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol.

    PubMed

    Mahmoodinia, Mehdi; Trinh, Thuat T; Åstrand, Per-Olof; Tran, Khanh-Quang

    2017-11-01

    Catalytic decomposition of ethylene glycol on the Pt 13 cluster was studied as a model system for hydrogen production from a lignocellulosic material. Ethylene glycol was chosen as a starting material because of two reasons, it is the smallest oxygenate with a 1 : 1 carbon to oxygen ratio and it contains the C-H, O-H, C-C, and C-O bonds also present in biomass. Density functional theory calculations were employed for predictions of reaction pathways for C-H, O-H, C-C and C-O cleavages, and Brønsted-Evans-Polanyi relationships were established between the final state and the transition state for all mechanisms. The results show that Pt 13 catalyzes the cleavage reactions of ethylene glycol more favourably than a Pt surface. The flexibility of Pt 13 clusters during the reactions is the key factor in reducing the activation barrier. Overall, the results demonstrate that ethylene glycol and thus biomass can be efficiently converted into hydrogen using platinum nanoclusters as catalysts.

  9. Phenanthroline-based metal–organic frameworks for Fe-catalyzed C sp3 –H amination

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Thacker, Nathan C.; Ji, Pengfei; Lin, Zekai

    2017-01-01

    We report here the synthesis of a robust and highly porous Fe-phenanthroline-based metal–organic framework (MOF) and its application in catalyzing challenging inter- and intramolecular C–H amination reactions. For the intermolecular amination reactions, a FeBr 2-metalated MOF selectively functionalized secondary benzylic and allylic C–H bonds. The intramolecular amination reactions utilizing organic azides as the nitrene source required the reduction of the FeBr 2-metalated MOF with NaBHEt 3to generate the active catalyst. For both reactions, Fe or Zr leaching was less than 0.1%, and MOFs could be recycled and reused with no loss in catalytic activity. Furthermore, MOF catalysts were significantly moremore » active than the corresponding homogeneous analogs. This work demonstrates the great potential of MOFs in generating highly active, recyclable, and reusable earth abundant metal catalysts for challenging organic transformations.« less

  10. Management intensity alters decomposition via biological pathways

    USGS Publications Warehouse

    Wickings, Kyle; Grandy, A. Stuart; Reed, Sasha; Cleveland, Cory

    2011-01-01

    Current conceptual models predict that changes in plant litter chemistry during decomposition are primarily regulated by both initial litter chemistry and the stage-or extent-of mass loss. Far less is known about how variations in decomposer community structure (e.g., resulting from different ecosystem management types) could influence litter chemistry during decomposition. Given the recent agricultural intensification occurring globally and the importance of litter chemistry in regulating soil organic matter storage, our objectives were to determine the potential effects of agricultural management on plant litter chemistry and decomposition rates, and to investigate possible links between ecosystem management, litter chemistry and decomposition, and decomposer community composition and activity. We measured decomposition rates, changes in litter chemistry, extracellular enzyme activity, microarthropod communities, and bacterial versus fungal relative abundance in replicated conventional-till, no-till, and old field agricultural sites for both corn and grass litter. After one growing season, litter decomposition under conventional-till was 20% greater than in old field communities. However, decomposition rates in no-till were not significantly different from those in old field or conventional-till sites. After decomposition, grass residue in both conventional- and no-till systems was enriched in total polysaccharides relative to initial litter, while grass litter decomposed in old fields was enriched in nitrogen-bearing compounds and lipids. These differences corresponded with differences in decomposer communities, which also exhibited strong responses to both litter and management type. Overall, our results indicate that agricultural intensification can increase litter decomposition rates, alter decomposer communities, and influence litter chemistry in ways that could have important and long-term effects on soil organic matter dynamics. We suggest that future

  11. Synthesis, characterization and non-isothermal decomposition kinetic of a new galactochloralose based polymer.

    PubMed

    Kök, Gökhan; Ay, Kadir; Ay, Emriye; Doğan, Fatih; Kaya, Ismet

    2014-01-30

    A glycopolymer, poly(3-O-methacroyl-5,6-O-isopropylidene-1,2-O-(S)-trichloroethylidene-α-d-galactofuranose) (PMIPTEG) was synthesized from the sugar-carrying methacrylate monomer, 3-O-methacroyl-5,6-O-isopropylidene-1,2-O-(S)-trichloroethylidene-α-d-galactofuranose (MIPTEG) via conventional free radical polymerization with AIBN in 1,4-dioxane. The structures of glycomonomer and their polymers were confirmed by UV-vis, FT-IR, (1)H NMR, (13)C NMR, GPC, TG/DTG-DTA, DSC, and SEM techniques. SEM images showed that PMIPTEG had a straight-chain length structure. On the other hand, the thermal decomposition kinetics of polymer were investigated by means of thermogravimetric analysis in dynamic nitrogen atmosphere at different heating rates. The apparent activation energies for thermal decomposition of the PMIPTEG were calculated using the Kissinger, Kim-Park, Tang, Flynn-Wall-Ozawa (FWO), Kissinger-Akahira-Sunose (KAS) and Friedman methods and were found to be 100.15, 104.40, 102.0, 102.2, 103.2 and 99.6 kJ/mol, respectively. The most likely process mechanism related to the thermal decomposition stage of PMIPTEG was determined to be a Dn deceleration type in terms of master plots results. Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rai, Prashant; Sargsyan, Khachik; Najm, Habib

    Here, a new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrationalmore » zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss–Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm -1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.« less

  13. Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

    DOE PAGES

    Rai, Prashant; Sargsyan, Khachik; Najm, Habib; ...

    2017-03-07

    Here, a new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrationalmore » zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss–Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm -1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.« less

  14. Biogeochemistry of Decomposition and Detrital Processing

    NASA Astrophysics Data System (ADS)

    Sanderman, J.; Amundson, R.

    2003-12-01

    , SOM is represented by three pools: labile SOM, slow SOM, and passive SOM. Inputs include aboveground litterfall and belowground root turnover and exudates, which will be distributed among the pools based on the biochemical nature of the material. Outputs from each pool include mineralization to CO2 (dashed lines), humification (labile→slow→passive), and downward transport due to leaching and physical mixing. Communition by soil fauna will accelerate the decomposition process and reveal previously inaccessible materials. Soil mixing and other disturbances can also make physically protected passive SOM available to microbial attack (passive→slow). There exists an amazing body of literature on the subject of decomposition that draws from many disciplines - including ecology, soil science, microbiology, plant physiology, biochemistry, and zoology. In this chapter, we have attempted to draw information from all of these fields to present an integrated analysis of decomposition in a biogeochemical context. We begin by reviewing the composition of detrital resources and SOM (Section 8.07.2), the organisms responsible for decomposition ( Section 8.07.3), and some methods for quantifying decomposition rates ( Section 8.07.4). This is followed by a discussion of the mechanisms behind decomposition ( Section 8.07.5), humification ( Section 8.07.6), and the controls on these processes ( Section 8.07.7). We conclude the chapter with a brief discussion on how current biogeochemical models incorporate this information ( Section 8.07.8).

  15. Parallelization of PANDA discrete ordinates code using spatial decomposition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Humbert, P.

    2006-07-01

    We present the parallel method, based on spatial domain decomposition, implemented in the 2D and 3D versions of the discrete Ordinates code PANDA. The spatial mesh is orthogonal and the spatial domain decomposition is Cartesian. For 3D problems a 3D Cartesian domain topology is created and the parallel method is based on a domain diagonal plane ordered sweep algorithm. The parallel efficiency of the method is improved by directions and octants pipelining. The implementation of the algorithm is straightforward using MPI blocking point to point communications. The efficiency of the method is illustrated by an application to the 3D-Ext C5G7more » benchmark of the OECD/NEA. (authors)« less

  16. Descent theory for semiorthogonal decompositions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Elagin, Alexei D

    We put forward a method for constructing semiorthogonal decompositions of the derived category of G-equivariant sheaves on a variety X under the assumption that the derived category of sheaves on X admits a semiorthogonal decomposition with components preserved by the action of the group G on X. This method is used to obtain semiorthogonal decompositions of equivariant derived categories for projective bundles and blow-ups with a smooth centre as well as for varieties with a full exceptional collection preserved by the group action. Our main technical tool is descent theory for derived categories. Bibliography: 12 titles.

  17. A Compound Fault Diagnosis for Rolling Bearings Method Based on Blind Source Separation and Ensemble Empirical Mode Decomposition

    PubMed Central

    Wang, Huaqing; Li, Ruitong; Tang, Gang; Yuan, Hongfang; Zhao, Qingliang; Cao, Xi

    2014-01-01

    A Compound fault signal usually contains multiple characteristic signals and strong confusion noise, which makes it difficult to separate week fault signals from them through conventional ways, such as FFT-based envelope detection, wavelet transform or empirical mode decomposition individually. In order to improve the compound faults diagnose of rolling bearings via signals’ separation, the present paper proposes a new method to identify compound faults from measured mixed-signals, which is based on ensemble empirical mode decomposition (EEMD) method and independent component analysis (ICA) technique. With the approach, a vibration signal is firstly decomposed into intrinsic mode functions (IMF) by EEMD method to obtain multichannel signals. Then, according to a cross correlation criterion, the corresponding IMF is selected as the input matrix of ICA. Finally, the compound faults can be separated effectively by executing ICA method, which makes the fault features more easily extracted and more clearly identified. Experimental results validate the effectiveness of the proposed method in compound fault separating, which works not only for the outer race defect, but also for the rollers defect and the unbalance fault of the experimental system. PMID:25289644

  18. Phantom-less bone mineral density (BMD) measurement using dual energy computed tomography-based 3-material decomposition

    NASA Astrophysics Data System (ADS)

    Hofmann, Philipp; Sedlmair, Martin; Krauss, Bernhard; Wichmann, Julian L.; Bauer, Ralf W.; Flohr, Thomas G.; Mahnken, Andreas H.

    2016-03-01

    Osteoporosis is a degenerative bone disease usually diagnosed at the manifestation of fragility fractures, which severely endanger the health of especially the elderly. To ensure timely therapeutic countermeasures, noninvasive and widely applicable diagnostic methods are required. Currently the primary quantifiable indicator for bone stability, bone mineral density (BMD), is obtained either by DEXA (Dual-energy X-ray absorptiometry) or qCT (quantitative CT). Both have respective advantages and disadvantages, with DEXA being considered as gold standard. For timely diagnosis of osteoporosis, another CT-based method is presented. A Dual Energy CT reconstruction workflow is being developed to evaluate BMD by evaluating lumbar spine (L1-L4) DE-CT images. The workflow is ROI-based and automated for practical use. A dual energy 3-material decomposition algorithm is used to differentiate bone from soft tissue and fat attenuation. The algorithm uses material attenuation coefficients on different beam energy levels. The bone fraction of the three different tissues is used to calculate the amount of hydroxylapatite in the trabecular bone of the corpus vertebrae inside a predefined ROI. Calibrations have been performed to obtain volumetric bone mineral density (vBMD) without having to add a calibration phantom or to use special scan protocols or hardware. Accuracy and precision are dependent on image noise and comparable to qCT images. Clinical indications are in accordance with the DEXA gold standard. The decomposition-based workflow shows bone degradation effects normally not visible on standard CT images which would induce errors in normal qCT results.

  19. Decomposition Rate and Pattern in Hanging Pigs.

    PubMed

    Lynch-Aird, Jeanne; Moffatt, Colin; Simmons, Tal

    2015-09-01

    Accurate prediction of the postmortem interval requires an understanding of the decomposition process and the factors acting upon it. A controlled experiment, over 60 days at an outdoor site in the northwest of England, used 20 freshly killed pigs (Sus scrofa) as human analogues to study decomposition rate and pattern. Ten pigs were hung off the ground and ten placed on the surface. Observed differences in the decomposition pattern required a new decomposition scoring scale to be produced for the hanging pigs to enable comparisons with the surface pigs. The difference in the rate of decomposition between hanging and surface pigs was statistically significant (p=0.001). Hanging pigs reached advanced decomposition stages sooner, but lagged behind during the early stages. This delay is believed to result from lower variety and quantity of insects, due to restricted beetle access to the aerial carcass, and/or writhing maggots falling from the carcass. © 2015 American Academy of Forensic Sciences.

  20. Iterative image-domain decomposition for dual-energy CT

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Niu, Tianye; Dong, Xue; Petrongolo, Michael

    2014-04-15

    Purpose: Dual energy CT (DECT) imaging plays an important role in advanced imaging applications due to its capability of material decomposition. Direct decomposition via matrix inversion suffers from significant degradation of image signal-to-noise ratios, which reduces clinical values of DECT. Existing denoising algorithms achieve suboptimal performance since they suppress image noise either before or after the decomposition and do not fully explore the noise statistical properties of the decomposition process. In this work, the authors propose an iterative image-domain decomposition method for noise suppression in DECT, using the full variance-covariance matrix of the decomposed images. Methods: The proposed algorithm ismore » formulated in the form of least-square estimation with smoothness regularization. Based on the design principles of a best linear unbiased estimator, the authors include the inverse of the estimated variance-covariance matrix of the decomposed images as the penalty weight in the least-square term. The regularization term enforces the image smoothness by calculating the square sum of neighboring pixel value differences. To retain the boundary sharpness of the decomposed images, the authors detect the edges in the CT images before decomposition. These edge pixels have small weights in the calculation of the regularization term. Distinct from the existing denoising algorithms applied on the images before or after decomposition, the method has an iterative process for noise suppression, with decomposition performed in each iteration. The authors implement the proposed algorithm using a standard conjugate gradient algorithm. The method performance is evaluated using an evaluation phantom (Catphan©600) and an anthropomorphic head phantom. The results are compared with those generated using direct matrix inversion with no noise suppression, a denoising method applied on the decomposed images, and an existing algorithm with similar formulation

  1. 9 CFR 354.131 - Decomposition.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 9 Animals and Animal Products 2 2010-01-01 2010-01-01 false Decomposition. 354.131 Section 354.131 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... Carcasses and Parts § 354.131 Decomposition. Carcasses of rabbits deleteriously affected by post-mortem...

  2. 9 CFR 354.131 - Decomposition.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 9 Animals and Animal Products 2 2014-01-01 2014-01-01 false Decomposition. 354.131 Section 354.131 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... Carcasses and Parts § 354.131 Decomposition. Carcasses of rabbits deleteriously affected by post-mortem...

  3. 9 CFR 354.131 - Decomposition.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 9 Animals and Animal Products 2 2013-01-01 2013-01-01 false Decomposition. 354.131 Section 354.131 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... Carcasses and Parts § 354.131 Decomposition. Carcasses of rabbits deleteriously affected by post-mortem...

  4. 9 CFR 381.93 - Decomposition.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 9 Animals and Animal Products 2 2011-01-01 2011-01-01 false Decomposition. 381.93 Section 381.93 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... § 381.93 Decomposition. Carcasses of poultry deleteriously affected by post mortem changes shall be...

  5. 9 CFR 381.93 - Decomposition.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 9 Animals and Animal Products 2 2014-01-01 2014-01-01 false Decomposition. 381.93 Section 381.93 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... § 381.93 Decomposition. Carcasses of poultry deleteriously affected by post mortem changes shall be...

  6. 9 CFR 381.93 - Decomposition.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 9 Animals and Animal Products 2 2012-01-01 2012-01-01 false Decomposition. 381.93 Section 381.93 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... § 381.93 Decomposition. Carcasses of poultry deleteriously affected by post mortem changes shall be...

  7. 9 CFR 381.93 - Decomposition.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 9 Animals and Animal Products 2 2013-01-01 2013-01-01 false Decomposition. 381.93 Section 381.93 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... § 381.93 Decomposition. Carcasses of poultry deleteriously affected by post mortem changes shall be...

  8. 9 CFR 354.131 - Decomposition.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 9 Animals and Animal Products 2 2012-01-01 2012-01-01 false Decomposition. 354.131 Section 354.131 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE AGENCY... Carcasses and Parts § 354.131 Decomposition. Carcasses of rabbits deleteriously affected by post-mortem...

  9. New insights into thermal decomposition of polycyclic aromatic hydrocarbon oxyradicals.

    PubMed

    Liu, Peng; Lin, He; Yang, Yang; Shao, Can; Gu, Chen; Huang, Zhen

    2014-12-04

    Thermal decompositions of polycyclic aromatic hydrocarbon (PAH) oxyradicals on various surface sites including five-membered ring, free-edge, zigzag, and armchair have been systematically investigated by using ab initio density functional theory B3LYP/6-311+G(d,p) basis set. The calculation based on Hückel theory indicates that PAHs (3H-cydopenta[a]anthracene oxyradical) with oxyradicals on a five-membered ring site have high chemical reactivity. The rate coefficients of PAH oxyradical decomposition were evaluated by using Rice-Ramsperger-Kassel-Marcus theory and solving the master equations in the temperature range of 1500-2500 K and the pressure range of 0.1-10 atm. The kinetic calculations revealed that the rate coefficients of PAH oxyradical decomposition are temperature-, pressure-, and surface site-dependent, and the oxyradical on a five-membered ring is easier to decompose than that on a six-membered ring. Four-membered rings were found in decomposition of the five-membered ring, and a new reaction channel of PAH evolution involving four-membered rings is recommended.

  10. Singular value decomposition based feature extraction technique for physiological signal analysis.

    PubMed

    Chang, Cheng-Ding; Wang, Chien-Chih; Jiang, Bernard C

    2012-06-01

    Multiscale entropy (MSE) is one of the popular techniques to calculate and describe the complexity of the physiological signal. Many studies use this approach to detect changes in the physiological conditions in the human body. However, MSE results are easily affected by noise and trends, leading to incorrect estimation of MSE values. In this paper, singular value decomposition (SVD) is adopted to replace MSE to extract the features of physiological signals, and adopt the support vector machine (SVM) to classify the different physiological states. A test data set based on the PhysioNet website was used, and the classification results showed that using SVD to extract features of the physiological signal could attain a classification accuracy rate of 89.157%, which is higher than that using the MSE value (71.084%). The results show the proposed analysis procedure is effective and appropriate for distinguishing different physiological states. This promising result could be used as a reference for doctors in diagnosis of congestive heart failure (CHF) disease.

  11. Pi2 detection using Empirical Mode Decomposition (EMD)

    NASA Astrophysics Data System (ADS)

    Mieth, Johannes Z. D.; Frühauff, Dennis; Glassmeier, Karl-Heinz

    2017-04-01

    Empirical Mode Decomposition has been used as an alternative method to wavelet transformation to identify onset times of Pi2 pulsations in data sets of the Scandinavian Magnetometer Array (SMA). Pi2 pulsations are magnetohydrodynamic waves occurring during magnetospheric substorms. Almost always Pi2 are observed at substorm onset in mid to low latitudes on Earth's nightside. They are fed by magnetic energy release caused by dipolarization processes. Their periods lie between 40 to 150 seconds. Usually, Pi2 are detected using wavelet transformation. Here, Empirical Mode Decomposition (EMD) is presented as an alternative approach to the traditional procedure. EMD is a young signal decomposition method designed for nonlinear and non-stationary time series. It provides an adaptive, data driven, and complete decomposition of time series into slow and fast oscillations. An optimized version using Monte-Carlo-type noise assistance is used here. By displaying the results in a time-frequency space a characteristic frequency modulation is observed. This frequency modulation can be correlated with the onset of Pi2 pulsations. A basic algorithm to find the onset is presented. Finally, the results are compared to classical wavelet-based analysis. The use of different SMA stations furthermore allows the spatial analysis of Pi2 onset times. EMD mostly finds application in the fields of engineering and medicine. This work demonstrates the applicability of this method to geomagnetic time series.

  12. Daily water level forecasting using wavelet decomposition and artificial intelligence techniques

    NASA Astrophysics Data System (ADS)

    Seo, Youngmin; Kim, Sungwon; Kisi, Ozgur; Singh, Vijay P.

    2015-01-01

    Reliable water level forecasting for reservoir inflow is essential for reservoir operation. The objective of this paper is to develop and apply two hybrid models for daily water level forecasting and investigate their accuracy. These two hybrid models are wavelet-based artificial neural network (WANN) and wavelet-based adaptive neuro-fuzzy inference system (WANFIS). Wavelet decomposition is employed to decompose an input time series into approximation and detail components. The decomposed time series are used as inputs to artificial neural networks (ANN) and adaptive neuro-fuzzy inference system (ANFIS) for WANN and WANFIS models, respectively. Based on statistical performance indexes, the WANN and WANFIS models are found to produce better efficiency than the ANN and ANFIS models. WANFIS7-sym10 yields the best performance among all other models. It is found that wavelet decomposition improves the accuracy of ANN and ANFIS. This study evaluates the accuracy of the WANN and WANFIS models for different mother wavelets, including Daubechies, Symmlet and Coiflet wavelets. It is found that the model performance is dependent on input sets and mother wavelets, and the wavelet decomposition using mother wavelet, db10, can further improve the efficiency of ANN and ANFIS models. Results obtained from this study indicate that the conjunction of wavelet decomposition and artificial intelligence models can be a useful tool for accurate forecasting daily water level and can yield better efficiency than the conventional forecasting models.

  13. Time-frequency analysis based on ensemble local mean decomposition and fast kurtogram for rotating machinery fault diagnosis

    NASA Astrophysics Data System (ADS)

    Wang, Lei; Liu, Zhiwen; Miao, Qiang; Zhang, Xin

    2018-03-01

    A time-frequency analysis method based on ensemble local mean decomposition (ELMD) and fast kurtogram (FK) is proposed for rotating machinery fault diagnosis. Local mean decomposition (LMD), as an adaptive non-stationary and nonlinear signal processing method, provides the capability to decompose multicomponent modulation signal into a series of demodulated mono-components. However, the occurring mode mixing is a serious drawback. To alleviate this, ELMD based on noise-assisted method was developed. Still, the existing environmental noise in the raw signal remains in corresponding PF with the component of interest. FK has good performance in impulse detection while strong environmental noise exists. But it is susceptible to non-Gaussian noise. The proposed method combines the merits of ELMD and FK to detect the fault for rotating machinery. Primarily, by applying ELMD the raw signal is decomposed into a set of product functions (PFs). Then, the PF which mostly characterizes fault information is selected according to kurtosis index. Finally, the selected PF signal is further filtered by an optimal band-pass filter based on FK to extract impulse signal. Fault identification can be deduced by the appearance of fault characteristic frequencies in the squared envelope spectrum of the filtered signal. The advantages of ELMD over LMD and EEMD are illustrated in the simulation analyses. Furthermore, the efficiency of the proposed method in fault diagnosis for rotating machinery is demonstrated on gearbox case and rolling bearing case analyses.

  14. Recent advances in sortase-catalyzed ligation methodology.

    PubMed

    Antos, John M; Truttmann, Matthias C; Ploegh, Hidde L

    2016-06-01

    The transpeptidation reaction catalyzed by bacterial sortases continues to see increasing use in the construction of novel protein derivatives. In addition to growth in the number of applications that rely on sortase, this field has also seen methodology improvements that enhance reaction performance and scope. In this opinion, we present an overview of key developments in the practice and implementation of sortase-based strategies, including applications relevant to structural biology. Topics include the use of engineered sortases to increase reaction rates, the use of redesigned acyl donors and acceptors to mitigate reaction reversibility, and strategies for expanding the range of substrates that are compatible with a sortase-based approach. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Changes in Root Decomposition Rates Across Soil Depths

    NASA Astrophysics Data System (ADS)

    Hicks Pries, C.; Porras, R. C.; Castanha, C.; Torn, M. S.

    2016-12-01

    Over half of global soil organic carbon (SOC) is stored in subsurface soils (>30 cm). Turnover times of soil organic carbon (SOC) increases with depth as evidenced by radiocarbon ages of 1,000 to more than 10,000 years in many deep soil horizons but the reasons for this increase are unclear. Many factors that potentially control SOC decomposition change with depth such as increased protection of SOC in aggregates or organo-mineral complexes and increased spatial heterogeneity of SOC "hotspots" like roots, which limit the accessibility of SOC to microbes. Lower concentrations of organic matter at depth may inhibit microbial activity due to energy limitation, and the microbial community itself changes with depth. To investigate how SOC decomposition differs with depth, we inserted a 13C-labeled fine root substrate into three depths (15, 50, and 90 cm) in a coniferous forest Alfisol and measured the root carbon remaining in particulate (>2 mm), bulk (< 2mm), free light, and mineral soil fractions over 2.5 years. We also characterized how the microbial community and SOC changed with depth. Initial rates of decomposition were unaffected by soil depth—50% of root carbon was lost from all depths within the first year. However, after 2.5 years, decomposition rates were affected by soil depth with only 15% of the root carbon remaining at 15 cm while 35% remained at 90 cm. Microbial communities, based on phospholipid fatty acid analysis, changed with depth—fungal biomarkers decreased whereas actinomycetes biomarkers increased. However, the preferences of different microbial groups for the 13C-labeled root carbon were consistent with depth. In contrast, the amount of mineral-associated SOC did not change with depth. Thus, decreased decomposition rates in this deep soil are not due to mineral associations limiting SOC availability, but may instead be due to changes in microbial communities, particularly in the microbes needed to carry out the later stages of root

  16. Ligand- and base-free copper(II)-catalyzed C-N bond formation: cross-coupling reactions of organoboron compounds with aliphatic amines and anilines.

    PubMed

    Quach, Tan D; Batey, Robert A

    2003-11-13

    [reaction: see text] A ligandless and base-free Cu-catalyzed protocol for the cross-coupling of arylboronic acids and potassium aryltrifluoroborate salts with primary and secondary aliphatic amines and anilines is described. The process utilizes catalytic copper(II) acetate monohydrate and 4 A molecular sieves in dichloromethane at slightly elevated temperatures under an atmosphere of oxygen. A broad range of functional groups are tolerated on both of the cross-coupling partners.

  17. Structural optimization by multilevel decomposition

    NASA Technical Reports Server (NTRS)

    Sobieszczanski-Sobieski, J.; James, B.; Dovi, A.

    1983-01-01

    A method is described for decomposing an optimization problem into a set of subproblems and a coordination problem which preserves coupling between the subproblems. The method is introduced as a special case of multilevel, multidisciplinary system optimization and its algorithm is fully described for two level optimization for structures assembled of finite elements of arbitrary type. Numerical results are given for an example of a framework to show that the decomposition method converges and yields results comparable to those obtained without decomposition. It is pointed out that optimization by decomposition should reduce the design time by allowing groups of engineers, using different computers to work concurrently on the same large problem.

  18. Perfluoropolyalkylether decomposition on catalytic aluminas

    NASA Technical Reports Server (NTRS)

    Morales, Wilfredo

    1994-01-01

    The decomposition of Fomblin Z25, a commercial perfluoropolyalkylether liquid lubricant, was studied using the Penn State Micro-oxidation Test, and a thermal gravimetric/differential scanning calorimetry unit. The micro-oxidation test was conducted using 440C stainless steel and pure iron metal catalyst specimens, whereas the thermal gravimetric/differential scanning calorimetry tests were conducted using catalytic alumina pellets. Analysis of the thermal data, high pressure liquid chromatography data, and x-ray photoelectron spectroscopy data support evidence that there are two different decomposition mechanisms for Fomblin Z25, and that reductive sites on the catalytic surfaces are responsible for the decomposition of Fomblin Z25.

  19. Direct observation of nanowire growth and decomposition.

    PubMed

    Rackauskas, Simas; Shandakov, Sergey D; Jiang, Hua; Wagner, Jakob B; Nasibulin, Albert G

    2017-09-26

    Fundamental concepts of the crystal formation suggest that the growth and decomposition are determined by simultaneous embedding and removal of the atoms. Apparently, by changing the crystal formation conditions one can switch the regimes from the growth to decomposition. To the best of our knowledge, so far this has been only postulated, but never observed at the atomic level. By means of in situ environmental transmission electron microscopy we monitored and examined the atomic layer transformation at the conditions of the crystal growth and its decomposition using CuO nanowires selected as a model object. The atomic layer growth/decomposition was studied by varying an O 2 partial pressure. Three distinct regimes of the atomic layer evolution were experimentally observed: growth, transition and decomposition. The transition regime, at which atomic layer growth/decomposition switch takes place, is characterised by random nucleation of the atomic layers on the growing {111} surface. The decomposition starts on the side of the nanowire by removing the atomic layers without altering the overall crystal structure, which besides the fundamental importance offers new possibilities for the nanowire manipulation. Understanding of the crystal growth kinetics and nucleation at the atomic level is essential for the precise control of 1D crystal formation.

  20. Assessments on GOCE-based Gravity Field Model Comparisons with Terrestrial Data Using Wavelet Decomposition and Spectral Enhancement Approaches

    NASA Astrophysics Data System (ADS)

    Erol, Serdar; Serkan Isık, Mustafa; Erol, Bihter

    2016-04-01

    The recent Earth gravity field satellite missions data lead significant improvement in Global Geopotential Models in terms of both accuracy and resolution. However the improvement in accuracy is not the same everywhere in the Earth and therefore quantifying the level of improvement locally is necessary using the independent data. The validations of the level-3 products from the gravity field satellite missions, independently from the estimation procedures of these products, are possible using various arbitrary data sets, as such the terrestrial gravity observations, astrogeodetic vertical deflections, GPS/leveling data, the stationary sea surface topography. Quantifying the quality of the gravity field functionals via recent products has significant importance for determination of the regional geoid modeling, base on the satellite and terrestrial data fusion with an optimal algorithm, beside the statistical reporting the improvement rates depending on spatial location. In the validations, the errors and the systematic differences between the data and varying spectral content of the compared signals should be considered in order to have comparable results. In this manner this study compares the performance of Wavelet decomposition and spectral enhancement techniques in validation of the GOCE/GRACE based Earth gravity field models using GPS/leveling and terrestrial gravity data in Turkey. The terrestrial validation data are filtered using Wavelet decomposition technique and the numerical results from varying levels of decomposition are compared with the results which are derived using the spectral enhancement approach with contribution of an ultra-high resolution Earth gravity field model. The tests include the GO-DIR-R5, GO-TIM-R5, GOCO05S, EIGEN-6C4 and EGM2008 global models. The conclusion discuss the superiority and drawbacks of both concepts as well as reporting the performance of tested gravity field models with an estimate of their contribution to modeling the

  1. Artifact removal from EEG data with empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Grubov, Vadim V.; Runnova, Anastasiya E.; Efremova, Tatyana Yu.; Hramov, Alexander E.

    2017-03-01

    In the paper we propose the novel method for dealing with the physiological artifacts caused by intensive activity of facial and neck muscles and other movements in experimental human EEG recordings. The method is based on analysis of EEG signals with empirical mode decomposition (Hilbert-Huang transform). We introduce the mathematical algorithm of the method with following steps: empirical mode decomposition of EEG signal, choosing of empirical modes with artifacts, removing empirical modes with artifacts, reconstruction of the initial EEG signal. We test the method on filtration of experimental human EEG signals from movement artifacts and show high efficiency of the method.

  2. Thermal Decomposition of IMX-104: Ingredient Interactions Govern Thermal Insensitivity

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Maharrey, Sean; Wiese-Smith, Deneille; Highley, Aaron M.

    2015-04-01

    This report summarizes initial studies into the chemical basis of the thermal insensitivity of INMX-104. The work follows upon similar efforts investigating this behavior for another DNAN-based insensitive explosive, IMX-101. The experiments described demonstrate a clear similarity between the ingredient interactions that were shown to lead to the thermal insensitivity observed in IMX-101 and those that are active in IMX-104 at elevated temperatures. Specifically, the onset of decomposition of RDX is shifted to a lower temperature based on the interaction of the RDX with liquid DNAN. This early onset of decomposition dissipates some stored energy that is then unavailable formore » a delayed, more violent release.« less

  3. Differential Decomposition Among Pig, Rabbit, and Human Remains.

    PubMed

    Dautartas, Angela; Kenyhercz, Michael W; Vidoli, Giovanna M; Meadows Jantz, Lee; Mundorff, Amy; Steadman, Dawnie Wolfe

    2018-03-30

    While nonhuman animal remains are often utilized in forensic research to develop methods to estimate the postmortem interval, systematic studies that directly validate animals as proxies for human decomposition are lacking. The current project compared decomposition rates among pigs, rabbits, and humans at the University of Tennessee's Anthropology Research Facility across three seasonal trials that spanned nearly 2 years. The Total Body Score (TBS) method was applied to quantify decomposition changes and calculate the postmortem interval (PMI) in accumulated degree days (ADD). Decomposition trajectories were analyzed by comparing the estimated and actual ADD for each seasonal trial and by fuzzy cluster analysis. The cluster analysis demonstrated that the rabbits formed one group while pigs and humans, although more similar to each other than either to rabbits, still showed important differences in decomposition patterns. The decomposition trends show that neither nonhuman model captured the pattern, rate, and variability of human decomposition. © 2018 American Academy of Forensic Sciences.

  4. Enzyme-Catalyzed Synthesis of Unsaturated Aliphatic Polyesters Based on Green Monomers from Renewable Resources

    PubMed Central

    Jiang, Yi; Woortman, Albert J.J.; Alberda van Ekenstein, Gert O.R.; Loos, Katja

    2013-01-01

    Bio-based commercially available succinate, itaconate and 1,4-butanediol are enzymatically co-polymerized in solution via a two-stage method, using Candida antarctica Lipase B (CALB, in immobilized form as Novozyme® 435) as the biocatalyst. The chemical structures of the obtained products, poly(butylene succinate) (PBS) and poly(butylene succinate-co-itaconate) (PBSI), are confirmed by 1H- and 13C-NMR. The effects of the reaction conditions on the CALB-catalyzed synthesis of PBSI are fully investigated, and the optimal polymerization conditions are obtained. With the established method, PBSI with tunable compositions and satisfying reaction yields is produced. The 1H-NMR results confirm that carbon-carbon double bonds are well preserved in PBSI. The differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA) results indicate that the amount of itaconate in the co-polyesters has no obvious effects on the glass-transition temperature and the thermal stability of PBS and PBSI, but has significant effects on the melting temperature. PMID:24970176

  5. Biological decomposition efficiency in different woodland soils.

    PubMed

    Herlitzius, H

    1983-03-01

    The decomposition (meaning disappearance) of different leaf types and artificial leaves made from cellulose hydrate foil was studied in three forests - an alluvial forest (Ulmetum), a beech forest on limestone soil (Melico-Fagetum), and a spruce forest in soil overlying limestone bedrock.Fine, medium, and coarse mesh litter bags of special design were used to investigate the roles of abiotic factors, microorganisms, and meso- and macrofauna in effecting decomposition in the three habitats. Additionally, the experimental design was carefully arranged so as to provide information about the effects on decomposition processes of the duration of exposure and the date or moment of exposure. 1. Exposure of litter samples oor 12 months showed: a) Litter enclosed in fine mesh bags decomposed to some 40-44% of the initial amount placed in each of the three forests. Most of this decomposition can be attributed to abiotic factors and microoganisms. b) Litter placed in medium mesh litter bags reduced by ca. 60% in alluvial forest, ca. 50% in beech forest and ca. 44% in spruce forest. c) Litter enclosed in coarse mesh litter bags was reduced by 71% of the initial weights exposed in alluvial and beech forests; in the spruce forest decomposition was no greater than observed with fine and medium mesh litter bags. Clearly, in spruce forest the macrofauna has little or no part to play in effecting decomposition. 2. Sequential month by month exposure of hazel leaves and cellulose hydrate foil in coarse mesh litter bags in all three forests showed that one month of exposure led to only slight material losses, they did occur smallest between March and May, and largest between June and October/November. 3. Coarse mesh litter bags containing either hazel or artificial leaves of cellulose hydrate foil were exposed to natural decomposition processes in December 1977 and subsampled monthly over a period of one year, this series constituted the From-sequence of experiments. Each of the From

  6. Exploring Patterns of Soil Organic Matter Decomposition with Students and the Public Through the Global Decomposition Project (GDP)

    NASA Astrophysics Data System (ADS)

    Wood, J. H.; Natali, S.

    2014-12-01

    The Global Decomposition Project (GDP) is a program designed to introduce and educate students and the general public about soil organic matter and decomposition through a standardized protocol for collecting, reporting, and sharing data. This easy-to-use hands-on activity focuses on questions such as "How do environmental conditions control decomposition of organic matter in soil?" and "Why do some areas accumulate organic matter and others do not?" Soil organic matter is important to local ecosystems because it affects soil structure, regulates soil moisture and temperature, and provides energy and nutrients to soil organisms. It is also important globally because it stores a large amount of carbon, and when microbes "eat", or decompose organic matter they release greenhouse gasses such as carbon dioxide and methane into the atmosphere, which affects the earth's climate. The protocol describes a commonly used method to measure decomposition using a paper made of cellulose, a component of plant cell walls. Participants can receive pre-made cellulose decomposition bags, or make decomposition bags using instructions in the protocol and easily obtained materials (e.g., window screen and lignin-free paper). Individual results will be shared with all participants and the broader public through an online database. We will present decomposition bag results from a research site in Alaskan tundra, as well as from a middle-school-student led experiment in California. The GDP demonstrates how scientific methods can be extended to educate broader audiences, while at the same time, data collected by students and the public can provide new insight into global patterns of soil decomposition. The GDP provides a pathway for scientists and educators to interact and reach meaningful education and research goals.

  7. Multifunctional Co₀.₈₅Se/graphene hybrid nanosheets: controlled synthesis and enhanced performances for the oxygen reduction reaction and decomposition of hydrazine hydrate.

    PubMed

    Zhang, Lin-fei; Zhang, Chun-yang

    2014-01-01

    Ultrathin nanosheets possess novel electronic structures and physical properties as compared with their corresponding bulk samples. However, the controlled synthesis of ultrathin monolayer nanosheets still remains a great challenge due to the lack of an intrinsic driving force for anisotropic growth of two-dimensional (2D) structures. Here we demonstrate, for the first time to our knowledge, the in situ synthesis of large-scale ultrathin single-crystalline Co₀.₈₅Se nanosheets on graphene oxide (GO) sheets, with a thickness of 3 nm. Owing to the synergetic chemical coupling effects between GO and Co₀.₈₅Se, the Co₀.₈₅Se/graphene hybrid nanosheets exhibit the highest catalytic performance among the available cobalt chalcogenide-based catalysts for the oxygen reduction reaction (ORR). Moreover, Co₀.₈₅Se/graphene hybrid nanosheets can catalyze the decomposition of hydrazine hydrate rapidly, with 97% of hydrazine hydrate being degraded in 12 min and the degradation rate remaining constant over 10 consecutive cycles, thus having great potential as long-term catalysts in wastewater treatment.

  8. Short-term forecasting of urban rail transit ridership based on ARIMA and wavelet decomposition

    NASA Astrophysics Data System (ADS)

    Wang, Xuemei; Zhang, Ning; Chen, Ying; Zhang, Yunlong

    2018-05-01

    Due to different functions and land use types, there are significant differences in ridership patterns among different urban rail transit stations. Considering the characteristics of different ridership and coping with the uncertainty, periodical and stochastic natures of short-term passenger flow, and this paper proposes a novel hybrid methodology that combines the autoregressive integrated moving average (ARIMA) model and wavelet decomposition, which has strong strengths in signal processing, to short-term ridership forecasting. The seasonal ARIMA is used to represent the relatively stable and regular ridership patterns while the wavelet decomposition is used to capture the stochastic or sometimes drastic changing characteristics of ridership patterns. The inclusion of wavelet decomposition and reconstruction provides the hybrid model with a unique strength in capturing sudden change in ridership patterns associated with certain rail stations. The case study is carried out by analyzing real ridership data of Metro Line 1 in Nanjing, China. The experimental results indicate that the hybrid method is superior to the individual ARIMA model for all ridership patterns, but particularly advantageous in predicting ridership at stations often associated with sudden pattern changes due to special events.

  9. Moisture drives surface decomposition in thawing tundra

    NASA Astrophysics Data System (ADS)

    Hicks Pries, Caitlin E.; Schuur, E. A. G.; Vogel, Jason G.; Natali, Susan M.

    2013-07-01

    Permafrost thaw can affect decomposition rates by changing environmental conditions and litter quality. As permafrost thaws, soils warm and thermokarst (ground subsidence) features form, causing some areas to become wetter while other areas become drier. We used a common substrate to measure how permafrost thaw affects decomposition rates in the surface soil in a natural permafrost thaw gradient and a warming experiment in Healy, Alaska. Permafrost thaw also changes plant community composition. We decomposed 12 plant litters in a common garden to test how changing plant litter inputs would affect decomposition. We combined species' tissue-specific decomposition rates with species and tissue-level estimates of aboveground net primary productivity to calculate community-weighted decomposition constants at both the thaw gradient and warming experiment. Moisture, specifically growing season precipitation and water table depth, was the most significant driver of decomposition. At the gradient, an increase in growing season precipitation from 200 to 300 mm increased mass loss of the common substrate by 100%. At the warming experiment, a decrease in the depth to the water table from 30 to 15 cm increased mass loss by 100%. At the gradient, community-weighted decomposition was 21% faster in extensive than in minimal thaw, but was similar when moss production was included. Overall, the effect of climate change and permafrost thaw on surface soil decomposition are driven more by precipitation and soil environment than by changes to plant communities. Increasing soil moisture is thereby another mechanism by which permafrost thaw can become a positive feedback to climate change.

  10. Decomposition Theory in the Teaching of Elementary Linear Algebra.

    ERIC Educational Resources Information Center

    London, R. R.; Rogosinski, H. P.

    1990-01-01

    Described is a decomposition theory from which the Cayley-Hamilton theorem, the diagonalizability of complex square matrices, and functional calculus can be developed. The theory and its applications are based on elementary polynomial algebra. (KR)

  11. Pressure effects on enzyme-catalyzed quantum tunneling events arise from protein-specific structural and dynamic changes.

    PubMed

    Hay, Sam; Johannissen, Linus O; Hothi, Parvinder; Sutcliffe, Michael J; Scrutton, Nigel S

    2012-06-13

    The rate and kinetic isotope effect (KIE) on proton transfer during the aromatic amine dehydrogenase-catalyzed reaction with phenylethylamine shows complex pressure and temperature dependences. We are able to rationalize these effects within an environmentally coupled tunneling model based on constant pressure molecular dynamics (MD) simulations. As pressure appears to act anisotropically on the enzyme, perturbation of the reaction coordinate (donor-acceptor compression) is, in this case, marginal. Therefore, while we have previously demonstrated that pressure and temperature dependences can be used to infer H-tunneling and the involvement of promoting vibrations, these effects should not be used in the absence of atomistic insight, as they can vary greatly for different enzymes. We show that a pressure-dependent KIE is not a definitive hallmark of quantum mechanical H-tunneling during an enzyme-catalyzed reaction and that pressure-independent KIEs cannot be used to exclude tunneling contributions or a role for promoting vibrations in the enzyme-catalyzed reaction. We conclude that coupling of MD calculations with experimental rate and KIE studies is required to provide atomistic understanding of pressure effects in enzyme-catalyzed reactions.

  12. A Domain Decomposition Parallelization of the Fast Marching Method

    NASA Technical Reports Server (NTRS)

    Herrmann, M.

    2003-01-01

    In this paper, the first domain decomposition parallelization of the Fast Marching Method for level sets has been presented. Parallel speedup has been demonstrated in both the optimal and non-optimal domain decomposition case. The parallel performance of the proposed method is strongly dependent on load balancing separately the number of nodes on each side of the interface. A load imbalance of nodes on either side of the domain leads to an increase in communication and rollback operations. Furthermore, the amount of inter-domain communication can be reduced by aligning the inter-domain boundaries with the interface normal vectors. In the case of optimal load balancing and aligned inter-domain boundaries, the proposed parallel FMM algorithm is highly efficient, reaching efficiency factors of up to 0.98. Future work will focus on the extension of the proposed parallel algorithm to higher order accuracy. Also, to further enhance parallel performance, the coupling of the domain decomposition parallelization to the G(sub 0)-based parallelization will be investigated.

  13. Soil organic matter decomposition follows plant productivity response to sea-level rise

    NASA Astrophysics Data System (ADS)

    Mueller, Peter; Jensen, Kai; Megonigal, James Patrick

    2015-04-01

    The accumulation of soil organic matter (SOM) is an important mechanism for many tidal wetlands to keep pace with sea-level rise. SOM accumulation is governed by the rates of production and decomposition of organic matter. While plant productivity responses to sea-level rise are well understood, far less is known about the response of SOM decomposition to accelerated sea-level rise. Here we quantified the effects of sea-level rise on SOM decomposition by exposing planted and unplanted tidal marsh monoliths to experimentally manipulated flood duration. The study was performed in a field-based mesocosm facility at the Smithsonian Global Change Research Wetland, a micro tidal brackish marsh in Maryland, US. SOM decomposition was quantified as CO2 efflux, with plant- and SOM-derived CO2 separated using a stable carbon isotope approach. Despite the dogma that decomposition rates are inversely related to flooding, SOM mineralization was not sensitive to varying flood duration over a 35 cm range in surface elevation in unplanted mesocoms. In the presence of plants, decomposition rates were strongly and positively related to aboveground biomass (p≤0.01, R2≥0.59). We conclude that rates of soil carbon loss through decomposition are driven by plant responses to sea level in this intensively studied tidal marsh. If our result applies more generally to tidal wetlands, it has important implications for modeling carbon sequestration and marsh accretion in response to accelerated sea-level rise.

  14. Enhancement of dynamic myocardial perfusion PET images based on low-rank plus sparse decomposition.

    PubMed

    Lu, Lijun; Ma, Xiaomian; Mohy-Ud-Din, Hassan; Ma, Jianhua; Feng, Qianjin; Rahmim, Arman; Chen, Wufan

    2018-02-01

    The absolute quantification of dynamic myocardial perfusion (MP) PET imaging is challenged by the limited spatial resolution of individual frame images due to division of the data into shorter frames. This study aims to develop a method for restoration and enhancement of dynamic PET images. We propose that the image restoration model should be based on multiple constraints rather than a single constraint, given the fact that the image characteristic is hardly described by a single constraint alone. At the same time, it may be possible, but not optimal, to regularize the image with multiple constraints simultaneously. Fortunately, MP PET images can be decomposed into a superposition of background vs. dynamic components via low-rank plus sparse (L + S) decomposition. Thus, we propose an L + S decomposition based MP PET image restoration model and express it as a convex optimization problem. An iterative soft thresholding algorithm was developed to solve the problem. Using realistic dynamic 82 Rb MP PET scan data, we optimized and compared its performance with other restoration methods. The proposed method resulted in substantial visual as well as quantitative accuracy improvements in terms of noise versus bias performance, as demonstrated in extensive 82 Rb MP PET simulations. In particular, the myocardium defect in the MP PET images had improved visual as well as contrast versus noise tradeoff. The proposed algorithm was also applied on an 8-min clinical cardiac 82 Rb MP PET study performed on the GE Discovery PET/CT, and demonstrated improved quantitative accuracy (CNR and SNR) compared to other algorithms. The proposed method is effective for restoration and enhancement of dynamic PET images. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Blurred Palmprint Recognition Based on Stable-Feature Extraction Using a Vese–Osher Decomposition Model

    PubMed Central

    Hong, Danfeng; Su, Jian; Hong, Qinggen; Pan, Zhenkuan; Wang, Guodong

    2014-01-01

    As palmprints are captured using non-contact devices, image blur is inevitably generated because of the defocused status. This degrades the recognition performance of the system. To solve this problem, we propose a stable-feature extraction method based on a Vese–Osher (VO) decomposition model to recognize blurred palmprints effectively. A Gaussian defocus degradation model is first established to simulate image blur. With different degrees of blurring, stable features are found to exist in the image which can be investigated by analyzing the blur theoretically. Then, a VO decomposition model is used to obtain structure and texture layers of the blurred palmprint images. The structure layer is stable for different degrees of blurring (this is a theoretical conclusion that needs to be further proved via experiment). Next, an algorithm based on weighted robustness histogram of oriented gradients (WRHOG) is designed to extract the stable features from the structure layer of the blurred palmprint image. Finally, a normalized correlation coefficient is introduced to measure the similarity in the palmprint features. We also designed and performed a series of experiments to show the benefits of the proposed method. The experimental results are used to demonstrate the theoretical conclusion that the structure layer is stable for different blurring scales. The WRHOG method also proves to be an advanced and robust method of distinguishing blurred palmprints. The recognition results obtained using the proposed method and data from two palmprint databases (PolyU and Blurred–PolyU) are stable and superior in comparison to previous high-performance methods (the equal error rate is only 0.132%). In addition, the authentication time is less than 1.3 s, which is fast enough to meet real-time demands. Therefore, the proposed method is a feasible way of implementing blurred palmprint recognition. PMID:24992328

  16. Blurred palmprint recognition based on stable-feature extraction using a Vese-Osher decomposition model.

    PubMed

    Hong, Danfeng; Su, Jian; Hong, Qinggen; Pan, Zhenkuan; Wang, Guodong

    2014-01-01

    As palmprints are captured using non-contact devices, image blur is inevitably generated because of the defocused status. This degrades the recognition performance of the system. To solve this problem, we propose a stable-feature extraction method based on a Vese-Osher (VO) decomposition model to recognize blurred palmprints effectively. A Gaussian defocus degradation model is first established to simulate image blur. With different degrees of blurring, stable features are found to exist in the image which can be investigated by analyzing the blur theoretically. Then, a VO decomposition model is used to obtain structure and texture layers of the blurred palmprint images. The structure layer is stable for different degrees of blurring (this is a theoretical conclusion that needs to be further proved via experiment). Next, an algorithm based on weighted robustness histogram of oriented gradients (WRHOG) is designed to extract the stable features from the structure layer of the blurred palmprint image. Finally, a normalized correlation coefficient is introduced to measure the similarity in the palmprint features. We also designed and performed a series of experiments to show the benefits of the proposed method. The experimental results are used to demonstrate the theoretical conclusion that the structure layer is stable for different blurring scales. The WRHOG method also proves to be an advanced and robust method of distinguishing blurred palmprints. The recognition results obtained using the proposed method and data from two palmprint databases (PolyU and Blurred-PolyU) are stable and superior in comparison to previous high-performance methods (the equal error rate is only 0.132%). In addition, the authentication time is less than 1.3 s, which is fast enough to meet real-time demands. Therefore, the proposed method is a feasible way of implementing blurred palmprint recognition.

  17. Sequential aldol condensation-transition metal-catalyzed addition reactions of aldehydes, methyl ketones, and arylboronic acids.

    PubMed

    Liao, Yuan-Xi; Xing, Chun-Hui; Israel, Matthew; Hu, Qiao-Sheng

    2011-04-15

    Sequential aldol condensation of aldehydes with methyl ketones followed by transition metal-catalyzed addition reactions of arylboronic acids to form β-substituted ketones is described. By using the 1,1'-spirobiindane-7,7'-diol (SPINOL)-based phosphite, an asymmetric version of this type of sequential reaction, with up to 92% ee, was also realized. Our study provided an efficient method to access β-substituted ketones and might lead to the development of other sequential/tandem reactions with transition metal-catalyzed addition reactions as the key step. © 2011 American Chemical Society

  18. Alumina nanowire growth by water decomposition and the peritectic reaction of decagonal Al{sub 65}Cu{sub 15}Co{sub 20} quasicrystals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Téllez-Vázquez, J.O., E-mail: oswald.tellez@gmail.com; Patiño-Carachure, C., E-mail: cpatino@pampano.unacar.mx; Rosas, G., E-mail: grtrejo@yahoo07.com.mx

    2016-02-15

    In this paper, the results of the Al{sub 2}O{sub 3} nanowires' growth through a chemical reaction between Al and water vapor at 1050 °C are presented. Our approach is based on two primary considerations. First, at room temperature, the Al{sub 65}Cu{sub 15}Co{sub 20} alloy is affected by the following mechanism: 2Al (s) + 3H{sub 2}O (g) → Al{sub 2}O{sub 3} (s) + H{sub 2} (g). In this reaction, the released hydrogen induces cleavage fracture of the material to form small particles. Second, the Al{sub 65}Cu{sub 15}Co{sub 20} quasicrystalline phase is transformed on heating to liquid + Al (Cu, Co) cubicmore » phase through a peritectic reaction at 1050 °C. The Al-rich liquid then reacts with water vapor, forming Al{sub 2}O{sub 3} nanowires. X-ray diffraction (XRD) analysis shows that the formed nanowires have a hexagonal structure, and infrared analysis further confirms the presence of α-Al{sub 2}O{sub 3} phase in the final products. Transmission electron microscopy observations show that nanoparticles are present at the end of nanowires, suggesting the VLS growth mechanism. Elemental analysis by energy dispersive spectroscopy (EDS) indicates that the particles at the tip of the nanowires are mainly formed by Co and Cu alloying elements and small amounts of Al. Electron microscopy observations showed nanowires with diameters ranging from 20 to 70 nm; the average diameter was 37 nm and the nanowire lengths were up to several micrometers. - Highlights: • Hexagonal alumina nanowires are grown at 1050 °C through the VLS process. • Alumina nanowires are obtained by the decomposition of decagonal quasicrystalline phase. • The decagonal phase decomposition follows a peritectic reaction at 1030 °C. • Nanoparticles are obtained by hydrogen embrittlement mechanism. • The nanoparticles catalyze the water decomposition to form wires.« less

  19. A reductionist biomimetic model system that demonstrates highly effective Zn(II)-catalyzed cleavage of an RNA model.

    PubMed

    Liu, C Tony; Neverov, Alexei A; Brown, R Stan

    2007-03-05

    The cyclization of the RNA model 2-hydroxypropyl p-nitrophenyl phosphate (HPNPP, 1) promoted by Zn2+ alone and the 1,5,9-triazacyclododecane complex of Zn2+ (Zn2+:[12]aneN3) is studied in ethanol in the presence of 0.5 equiv of -OEt/Zn2+ to investigate the effect of a low polarity/dielectric medium on a metal-catalyzed reaction of biological relevance. Ethanol exerts a medium effect that promotes strong binding of HPNPP to Zn2+, followed by a dimerization to form a catalytically active complex (HPNPP:Zn2+)2 in which the phosphate undergoes cyclization with a rate constant of kcat = 2.9 s(-1) at s(s)pH 7.1. In the presence of the triaza ligand:Zn2+ complex, the change from water to methanol and then to ethanol brings about a mechanism where two molecules of the complex, suggested as EtOH:Zn2+:[12]aneN3 and its basic form, EtO-:Zn2+:[12]aneN3, bind to HPNPP and catalyze its decomposition with a rate constant of kcat of 0.13 s(-1) at s(s)pH 7.1. Overall, the acceleration exhibited in these two situations is 4 x 10(14)-fold and 1.7 x 10(12)-fold relative to the background ethoxide-promoted reactions at the respective s(s)pH values. The implications of these findings are discussed within the context of the idea that enzymatic catalysis is enhanced by a reduced effective dielectric constant within the active site.

  20. Comparison of two interpolation methods for empirical mode decomposition based evaluation of radiographic femur bone images.

    PubMed

    Udhayakumar, Ganesan; Sujatha, Chinnaswamy Manoharan; Ramakrishnan, Swaminathan

    2013-01-01

    Analysis of bone strength in radiographic images is an important component of estimation of bone quality in diseases such as osteoporosis. Conventional radiographic femur bone images are used to analyze its architecture using bi-dimensional empirical mode decomposition method. Surface interpolation of local maxima and minima points of an image is a crucial part of bi-dimensional empirical mode decomposition method and the choice of appropriate interpolation depends on specific structure of the problem. In this work, two interpolation methods of bi-dimensional empirical mode decomposition are analyzed to characterize the trabecular femur bone architecture of radiographic images. The trabecular bone regions of normal and osteoporotic femur bone images (N = 40) recorded under standard condition are used for this study. The compressive and tensile strength regions of the images are delineated using pre-processing procedures. The delineated images are decomposed into their corresponding intrinsic mode functions using interpolation methods such as Radial basis function multiquadratic and hierarchical b-spline techniques. Results show that bi-dimensional empirical mode decomposition analyses using both interpolations are able to represent architectural variations of femur bone radiographic images. As the strength of the bone depends on architectural variation in addition to bone mass, this study seems to be clinically useful.

  1. ENVIRONMENTAL TECHNOLOGY VERIFICATION REPORT: ENVIROFUELS DIESEL FUEL CATALYZER FUEL ADDITIVE

    EPA Science Inventory

    EPA's Environmental Technology Verification Program has tested EnviroFuels diesel fuel additive, called the Diesel Fuel Catalyzer. EnviroFuels has stated that heavy-duty on and off road diesel engines are the intended market for the catalyzer. Preliminary tests conducted indicate...

  2. Polar decomposition for attitude determination from vector observations

    NASA Technical Reports Server (NTRS)

    Bar-Itzhack, Itzhack Y.

    1993-01-01

    This work treats the problem of weighted least squares fitting of a 3D Euclidean-coordinate transformation matrix to a set of unit vectors measured in the reference and transformed coordinates. A closed-form analytic solution to the problem is re-derived. The fact that the solution is the closest orthogonal matrix to some matrix defined on the measured vectors and their weights is clearly demonstrated. Several known algorithms for computing the analytic closed form solution are considered. An algorithm is discussed which is based on the polar decomposition of matrices into the closest unitary matrix to the decomposed matrix and a Hermitian matrix. A somewhat longer improved algorithm is suggested too. A comparison of several algorithms is carried out using simulated data as well as real data from the Upper Atmosphere Research Satellite. The comparison is based on accuracy and time consumption. It is concluded that the algorithms based on polar decomposition yield a simple although somewhat less accurate solution. The precision of the latter algorithms increase with the number of the measured vectors and with the accuracy of their measurement.

  3. A general framework of noise suppression in material decomposition for dual-energy CT

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Petrongolo, Michael; Dong, Xue; Zhu, Lei, E-mail: leizhu@gatech.edu

    Purpose: As a general problem of dual-energy CT (DECT), noise amplification in material decomposition severely reduces the signal-to-noise ratio on the decomposed images compared to that on the original CT images. In this work, the authors propose a general framework of noise suppression in material decomposition for DECT. The method is based on an iterative algorithm recently developed in their group for image-domain decomposition of DECT, with an extension to include nonlinear decomposition models. The generalized framework of iterative DECT decomposition enables beam-hardening correction with simultaneous noise suppression, which improves the clinical benefits of DECT. Methods: The authors propose tomore » suppress noise on the decomposed images of DECT using convex optimization, which is formulated in the form of least-squares estimation with smoothness regularization. Based on the design principles of a best linear unbiased estimator, the authors include the inverse of the estimated variance–covariance matrix of the decomposed images as the penalty weight in the least-squares term. Analytical formulas are derived to compute the variance–covariance matrix for decomposed images with general-form numerical or analytical decomposition. As a demonstration, the authors implement the proposed algorithm on phantom data using an empirical polynomial function of decomposition measured on a calibration scan. The polynomial coefficients are determined from the projection data acquired on a wedge phantom, and the signal decomposition is performed in the projection domain. Results: On the Catphan{sup ®}600 phantom, the proposed noise suppression method reduces the average noise standard deviation of basis material images by one to two orders of magnitude, with a superior performance on spatial resolution as shown in comparisons of line-pair images and modulation transfer function measurements. On the synthesized monoenergetic CT images, the noise standard deviation

  4. Direct Sum Decomposition of Groups

    ERIC Educational Resources Information Center

    Thaheem, A. B.

    2005-01-01

    Direct sum decomposition of Abelian groups appears in almost all textbooks on algebra for undergraduate students. This concept plays an important role in group theory. One simple example of this decomposition is obtained by using the kernel and range of a projection map on an Abelian group. The aim in this pedagogical note is to establish a direct…

  5. Assessment and Improvement of GOCE based Global Geopotential Models Using Wavelet Decomposition

    NASA Astrophysics Data System (ADS)

    Erol, Serdar; Erol, Bihter; Serkan Isik, Mustafa

    2016-07-01

    The contribution of recent Earth gravity field satellite missions, specifically GOCE mission, leads significant improvement in quality of gravity field models in both accuracy and resolution manners. However the performance and quality of each released model vary not only depending on the spatial location of the Earth but also the different bands of the spectral expansion. Therefore the assessment of the global model performances with validations using in situ-data in varying territories on the Earth is essential for clarifying their exact performances in local. Beside of this, their spectral evaluation and quality assessment of the signal in each part of the spherical harmonic expansion spectrum is essential to have a clear decision for the commission error content of the model and determining its optimal degree, revealed the best results, as well. The later analyses provide also a perspective and comparison on the global behavior of the models and opportunity to report the sequential improvement of the models depending on the mission developments and hence the contribution of the new data of missions. In this study a review on spectral assessment results of the recently released GOCE based global geopotential models DIR-R5, TIM-R5 with the enhancement using EGM2008, as reference model, in Turkey, versus the terrestrial data is provided. Beside of reporting the GOCE mission contribution to the models in Turkish territory, the possible improvement in the spectral quality of these models, via decomposition that are highly contaminated by noise, is purposed. In the analyses the motivation is on achieving an optimal amount of improvement that rely on conserving the useful component of the GOCE signal as much as possible, while fusing the filtered GOCE based models with EGM2008 in the appropriate spectral bands. The investigation also contain the assessment of the coherence and the correlation between the Earth gravity field parameters (free-air gravity anomalies and

  6. Regression-based adaptive sparse polynomial dimensional decomposition for sensitivity analysis

    NASA Astrophysics Data System (ADS)

    Tang, Kunkun; Congedo, Pietro; Abgrall, Remi

    2014-11-01

    Polynomial dimensional decomposition (PDD) is employed in this work for global sensitivity analysis and uncertainty quantification of stochastic systems subject to a large number of random input variables. Due to the intimate structure between PDD and Analysis-of-Variance, PDD is able to provide simpler and more direct evaluation of the Sobol' sensitivity indices, when compared to polynomial chaos (PC). Unfortunately, the number of PDD terms grows exponentially with respect to the size of the input random vector, which makes the computational cost of the standard method unaffordable for real engineering applications. In order to address this problem of curse of dimensionality, this work proposes a variance-based adaptive strategy aiming to build a cheap meta-model by sparse-PDD with PDD coefficients computed by regression. During this adaptive procedure, the model representation by PDD only contains few terms, so that the cost to resolve repeatedly the linear system of the least-square regression problem is negligible. The size of the final sparse-PDD representation is much smaller than the full PDD, since only significant terms are eventually retained. Consequently, a much less number of calls to the deterministic model is required to compute the final PDD coefficients.

  7. Harmonic analysis of traction power supply system based on wavelet decomposition

    NASA Astrophysics Data System (ADS)

    Dun, Xiaohong

    2018-05-01

    With the rapid development of high-speed railway and heavy-haul transport, AC drive electric locomotive and EMU large-scale operation in the country on the ground, the electrified railway has become the main harmonic source of China's power grid. In response to this phenomenon, the need for timely monitoring of power quality problems of electrified railway, assessment and governance. Wavelet transform is developed on the basis of Fourier analysis, the basic idea comes from the harmonic analysis, with a rigorous theoretical model, which has inherited and developed the local thought of Garbor transformation, and has overcome the disadvantages such as window fixation and lack of discrete orthogonally, so as to become a more recently studied spectral analysis tool. The wavelet analysis takes the gradual and precise time domain step in the high frequency part so as to focus on any details of the signal being analyzed, thereby comprehensively analyzing the harmonics of the traction power supply system meanwhile use the pyramid algorithm to increase the speed of wavelet decomposition. The matlab simulation shows that the use of wavelet decomposition of the traction power supply system for harmonic spectrum analysis is effective.

  8. Stop-catalyzed baryogenesis beyond the MSSM

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Katz, Andrey; Perelstein, Maxim; Ramsey-Musolf, Michael J.

    2015-11-19

    Nonminimal supersymmetric models that predict a tree-level Higgs mass above the minimal supersymmetric standard model (MSSM) bound are well motivated by naturalness considerations. Indirect constraints on the stop sector parameters of such models are significantly relaxed compared to the MSSM; in particular, both stops can have weak-scale masses. We revisit the stop-catalyzed electroweak baryogenesis (EWB) scenario in this context. We find that the LHC measurements of the Higgs boson production and decay rates already rule out the possibility of stop-catalyzed EWB. Here, we also introduce a gauge-invariant analysis framework that may generalize to other scenarios in which interactions outside themore » gauge sector drive the electroweak phase transition.« less

  9. Self-catalyzed GaAs nanowires on silicon by hydride vapor phase epitaxy.

    PubMed

    Dong, Zhenning; André, Yamina; Dubrovskii, Vladimir G; Bougerol, Catherine; Leroux, Christine; Ramdani, Mohammed R; Monier, Guillaume; Trassoudaine, Agnès; Castelluci, Dominique; Gil, Evelyne

    2017-03-24

    Gold-free GaAs nanowires on silicon substrates can pave the way for monolithic integration of photonic nanodevices with silicon electronic platforms. It is extensively documented that the self-catalyzed approach works well in molecular beam epitaxy but is much more difficult to implement in vapor phase epitaxies. Here, we report the first gallium-catalyzed hydride vapor phase epitaxy growth of long (more than 10 μm) GaAs nanowires on Si(111) substrates with a high integrated growth rate up to 60 μm h -1 and pure zincblende crystal structure. The growth is achieved by combining a low temperature of 600 °C with high gaseous GaCl/As flow ratios to enable dechlorination and formation of gallium droplets. GaAs nanowires exhibit an interesting bottle-like shape with strongly tapered bases, followed by straight tops with radii as small as 5 nm. We present a model that explains the peculiar growth mechanism in which the gallium droplets nucleate and rapidly swell on the silicon surface but then are gradually consumed to reach a stationary size. Our results unravel the necessary conditions for obtaining gallium-catalyzed GaAs nanowires by vapor phase epitaxy techniques.

  10. Analysis of Human's Motions Based on Local Mean Decomposition in Through-wall Radar Detection

    NASA Astrophysics Data System (ADS)

    Lu, Qi; Liu, Cai; Zeng, Zhaofa; Li, Jing; Zhang, Xuebing

    2016-04-01

    Observation of human motions through a wall is an important issue in security applications and search-and rescue. Radar has advantages in looking through walls where other sensors give low performance or cannot be used at all. Ultrawideband (UWB) radar has high spatial resolution as a result of employment of ultranarrow pulses. It has abilities to distinguish the closely positioned targets and provide time-lapse information of targets. Moreover, the UWB radar shows good performance in wall penetration when the inherently short pulses spread their energy over a broad frequency range. Human's motions show periodic features including respiration, swing arms and legs, fluctuations of the torso. Detection of human targets is based on the fact that there is always periodic motion due to breathing or other body movements like walking. The radar can gain the reflections from each human body parts and add the reflections at each time sample. The periodic movements will cause micro-Doppler modulation in the reflected radar signals. Time-frequency analysis methods are consider as the effective tools to analysis and extract micro-Doppler effects caused by the periodic movements in the reflected radar signal, such as short-time Fourier transform (STFT), wavelet transform (WT), and Hilbert-Huang transform (HHT).The local mean decomposition (LMD), initially developed by Smith (2005), is to decomposed amplitude and frequency modulated signals into a small set of product functions (PFs), each of which is the product of an envelope signal and a frequency modulated signal from which a time-vary instantaneous phase and instantaneous frequency can be derived. As bypassing the Hilbert transform, the LMD has no demodulation error coming from window effect and involves no negative frequency without physical sense. Also, the instantaneous attributes obtained by LMD are more stable and precise than those obtained by the empirical mode decomposition (EMD) because LMD uses smoothed local

  11. A full-spectral Bayesian reconstruction approach based on the material decomposition model applied in dual-energy computed tomography.

    PubMed

    Cai, C; Rodet, T; Legoupil, S; Mohammad-Djafari, A

    2013-11-01

    Dual-energy computed tomography (DECT) makes it possible to get two fractions of basis materials without segmentation. One is the soft-tissue equivalent water fraction and the other is the hard-matter equivalent bone fraction. Practical DECT measurements are usually obtained with polychromatic x-ray beams. Existing reconstruction approaches based on linear forward models without counting the beam polychromaticity fail to estimate the correct decomposition fractions and result in beam-hardening artifacts (BHA). The existing BHA correction approaches either need to refer to calibration measurements or suffer from the noise amplification caused by the negative-log preprocessing and the ill-conditioned water and bone separation problem. To overcome these problems, statistical DECT reconstruction approaches based on nonlinear forward models counting the beam polychromaticity show great potential for giving accurate fraction images. This work proposes a full-spectral Bayesian reconstruction approach which allows the reconstruction of high quality fraction images from ordinary polychromatic measurements. This approach is based on a Gaussian noise model with unknown variance assigned directly to the projections without taking negative-log. Referring to Bayesian inferences, the decomposition fractions and observation variance are estimated by using the joint maximum a posteriori (MAP) estimation method. Subject to an adaptive prior model assigned to the variance, the joint estimation problem is then simplified into a single estimation problem. It transforms the joint MAP estimation problem into a minimization problem with a nonquadratic cost function. To solve it, the use of a monotone conjugate gradient algorithm with suboptimal descent steps is proposed. The performance of the proposed approach is analyzed with both simulated and experimental data. The results show that the proposed Bayesian approach is robust to noise and materials. It is also necessary to have the

  12. Synthesis of (E)-2-Styrylchromones and Flavones by Base-Catalyzed Cyclodehydration of the Appropriate β-Diketones Using Water as Solvent.

    PubMed

    Pinto, Joana; Silva, Vera L M; Silva, Ana M G; Silva, Artur M S

    2015-06-22

    A low cost, safe, clean and environmentally benign base-catalyzed cyclodehydration of appropriate β-diketones affording (E)-2-styrylchromones and flavones in good yields is disclosed. Water was used as solvent and the reactions were heated using classical and microwave heating methods, under open and closed vessel conditions. β-Diketones having electron-donating and withdrawing substituents were used to evaluate the reaction scope. The reaction products were isolated in high purity by simple filtration and recrystallization from ethanol, when using 800 mg of the starting diketone under classical reflux heating conditions.

  13. Forest height estimation from mountain forest areas using general model-based decomposition for polarimetric interferometric synthetic aperture radar images

    NASA Astrophysics Data System (ADS)

    Minh, Nghia Pham; Zou, Bin; Cai, Hongjun; Wang, Chengyi

    2014-01-01

    The estimation of forest parameters over mountain forest areas using polarimetric interferometric synthetic aperture radar (PolInSAR) images is one of the greatest interests in remote sensing applications. For mountain forest areas, scattering mechanisms are strongly affected by the ground topography variations. Most of the previous studies in modeling microwave backscattering signatures of forest area have been carried out over relatively flat areas. Therefore, a new algorithm for the forest height estimation from mountain forest areas using the general model-based decomposition (GMBD) for PolInSAR image is proposed. This algorithm enables the retrieval of not only the forest parameters, but also the magnitude associated with each mechanism. In addition, general double- and single-bounce scattering models are proposed to fit for the cross-polarization and off-diagonal term by separating their independent orientation angle, which remains unachieved in the previous model-based decompositions. The efficiency of the proposed approach is demonstrated with simulated data from PolSARProSim software and ALOS-PALSAR spaceborne PolInSAR datasets over the Kalimantan areas, Indonesia. Experimental results indicate that forest height could be effectively estimated by GMBD.

  14. a Novel Two-Component Decomposition for Co-Polar Channels of GF-3 Quad-Pol Data

    NASA Astrophysics Data System (ADS)

    Kwok, E.; Li, C. H.; Zhao, Q. H.; Li, Y.

    2018-04-01

    Polarimetric target decomposition theory is the most dynamic and exploratory research area in the field of PolSAR. But most methods of target decomposition are based on fully polarized data (quad pol) and seldom utilize dual-polar data for target decomposition. Given this, we proposed a novel two-component decomposition method for co-polar channels of GF-3 quad-pol data. This method decomposes the data into two scattering contributions: surface, double bounce in dual co-polar channels. To save this underdetermined problem, a criterion for determining the model is proposed. The criterion can be named as second-order averaged scattering angle, which originates from the H/α decomposition. and we also put forward an alternative parameter of it. To validate the effectiveness of proposed decomposition, Liaodong Bay is selected as research area. The area is located in northeastern China, where it grows various wetland resources and appears sea ice phenomenon in winter. and we use the GF-3 quad-pol data as study data, which which is China's first C-band polarimetric synthetic aperture radar (PolSAR) satellite. The dependencies between the features of proposed algorithm and comparison decompositions (Pauli decomposition, An&Yang decomposition, Yamaguchi S4R decomposition) were investigated in the study. Though several aspects of the experimental discussion, we can draw the conclusion: the proposed algorithm may be suitable for special scenes with low vegetation coverage or low vegetation in the non-growing season; proposed decomposition features only using co-polar data are highly correlated with the corresponding comparison decomposition features under quad-polarization data. Moreover, it would be become input of the subsequent classification or parameter inversion.

  15. A graph decomposition-based approach for water distribution network optimization

    NASA Astrophysics Data System (ADS)

    Zheng, Feifei; Simpson, Angus R.; Zecchin, Aaron C.; Deuerlein, Jochen W.

    2013-04-01

    A novel optimization approach for water distribution network design is proposed in this paper. Using graph theory algorithms, a full water network is first decomposed into different subnetworks based on the connectivity of the network's components. The original whole network is simplified to a directed augmented tree, in which the subnetworks are substituted by augmented nodes and directed links are created to connect them. Differential evolution (DE) is then employed to optimize each subnetwork based on the sequence specified by the assigned directed links in the augmented tree. Rather than optimizing the original network as a whole, the subnetworks are sequentially optimized by the DE algorithm. A solution choice table is established for each subnetwork (except for the subnetwork that includes a supply node) and the optimal solution of the original whole network is finally obtained by use of the solution choice tables. Furthermore, a preconditioning algorithm is applied to the subnetworks to produce an approximately optimal solution for the original whole network. This solution specifies promising regions for the final optimization algorithm to further optimize the subnetworks. Five water network case studies are used to demonstrate the effectiveness of the proposed optimization method. A standard DE algorithm (SDE) and a genetic algorithm (GA) are applied to each case study without network decomposition to enable a comparison with the proposed method. The results show that the proposed method consistently outperforms the SDE and GA (both with tuned parameters) in terms of both the solution quality and efficiency.

  16. Structural Decomposition Analysis of China’s Industrial Energy Consumption Based on Input-Output Analysis

    NASA Astrophysics Data System (ADS)

    Huang, X. Y.; Zhou, J. Q.; Wang, Z.; Deng, L. C.; Hong, S.

    2017-05-01

    China is now at a stage of accelerated industrialization and urbanization, with energy-intensive industries contributing a large proportion of economic growth. In this study, we examined industrial energy consumption by decomposition analysis to describe the driving factors of energy consumption in China. Based on input-output (I-O) tables from the World Input-Output Database (WIOD) website and China’s energy use data from 1995 to 2011, we studied the sectorial changes of energy efficiency during the examined period. The results showed that all industries increased their energy efficiency. Energy consumption was decomposed into three factors by the logarithmic mean Divisia index (LMDI) method. The increase in production output was the leading factor that drives up China’s energy consumption. World Trade Organization accession and financial crises had great impact on the energy consumption. Based on these results, a series of energy policy suggestions for decision-makers has been proposed.

  17. Energy harvesting by implantable abiotically catalyzed glucose fuel cells

    NASA Astrophysics Data System (ADS)

    Kerzenmacher, S.; Ducrée, J.; Zengerle, R.; von Stetten, F.

    Implantable glucose fuel cells are a promising approach to realize an autonomous energy supply for medical implants that solely relies on the electrochemical reaction of oxygen and glucose. Key advantage over conventional batteries is the abundant availability of both reactants in body fluids, rendering the need for regular replacement or external recharging mechanisms obsolete. Implantable glucose fuel cells, based on abiotic catalysts such as noble metals and activated carbon, have already been developed as power supply for cardiac pacemakers in the late-1960s. Whereas, in vitro and preliminary in vivo studies demonstrated their long-term stability, the performance of these fuel cells is limited to the μW-range. Consequently, no further developments have been reported since high-capacity lithium iodine batteries for cardiac pacemakers became available in the mid-1970s. In recent years research has been focused on enzymatically catalyzed glucose fuel cells. They offer higher power densities than their abiotically catalyzed counterparts, but the limited enzyme stability impedes long-term application. In this context, the trend towards increasingly energy-efficient low power MEMS (micro-electro-mechanical systems) implants has revived the interest in abiotic catalysts as a long-term stable alternative. This review covers the state-of-the-art in implantable abiotically catalyzed glucose fuel cells and their development since the 1960s. Different embodiment concepts are presented and the historical achievements of academic and industrial research groups are critically reviewed. Special regard is given to the applicability of the concept as sustainable micro-power generator for implantable devices.

  18. The response of the HMX-based material PBXN-9 to thermal insults: thermal decomposition kinetics and morphological changes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Glascoe, E A; Hsu, P C; Springer, H K

    PBXN-9, an HMX-formulation, is thermally damaged and thermally decomposed in order to determine the morphological changes and decomposition kinetics that occur in the material after mild to moderate heating. The material and its constituents were decomposed using standard thermal analysis techniques (DSC and TGA) and the decomposition kinetics are reported using different kinetic models. Pressed parts and prill were thermally damaged, i.e. heated to temperatures that resulted in material changes but did not result in significant decomposition or explosion, and analyzed. In general, the thermally damaged samples showed a significant increase in porosity and decrease in density and a smallmore » amount of weight loss. These PBXN-9 samples appear to sustain more thermal damage than similar HMX-Viton A formulations and the most likely reasons are the decomposition/evaporation of a volatile plasticizer and a polymorphic transition of the HMX from {beta} to {delta} phase.« less

  19. Regular Decompositions for H(div) Spaces

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kolev, Tzanio; Vassilevski, Panayot

    We study regular decompositions for H(div) spaces. In particular, we show that such regular decompositions are closely related to a previously studied “inf-sup” condition for parameter-dependent Stokes problems, for which we provide an alternative, more direct, proof.

  20. Power System Decomposition for Practical Implementation of Bulk-Grid Voltage Control Methods

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vallem, Mallikarjuna R.; Vyakaranam, Bharat GNVSR; Holzer, Jesse T.

    Power system algorithms such as AC optimal power flow and coordinated volt/var control of the bulk power system are computationally intensive and become difficult to solve in operational time frames. The computational time required to run these algorithms increases exponentially as the size of the power system increases. The solution time for multiple subsystems is less than that for solving the entire system simultaneously, and the local nature of the voltage problem lends itself to such decomposition. This paper describes an algorithm that can be used to perform power system decomposition from the point of view of the voltage controlmore » problem. Our approach takes advantage of the dominant localized effect of voltage control and is based on clustering buses according to the electrical distances between them. One of the contributions of the paper is to use multidimensional scaling to compute n-dimensional Euclidean coordinates for each bus based on electrical distance to perform algorithms like K-means clustering. A simple coordinated reactive power control of photovoltaic inverters for voltage regulation is used to demonstrate the effectiveness of the proposed decomposition algorithm and its components. The proposed decomposition method is demonstrated on the IEEE 118-bus system.« less

  1. Acid-catalyzed conversion of mono- and poly-sugars into platform chemicals: effects of molecular structure of sugar substrate.

    PubMed

    Hu, Xun; Wu, Liping; Wang, Yi; Song, Yao; Mourant, Daniel; Gunawan, Richard; Gholizadeh, Mortaza; Li, Chun-Zhu

    2013-04-01

    Hydrolysis/pyrolysis of lignocellulosic biomass always produces a mixture of sugars with distinct structures as intermediates or products. This study tried to elucidate the effects of molecular structure of sugars on their acid-catalyzed conversions in ethanol/water. Location of carbonyl group in sugars (fructose versus glucose) and steric configuration of hydroxyl groups (glucose versus galactose) significantly affected yields of levulinic acid/ester (fructose>glucose>galactose). The dehydration of fructose to 5-(hydroxymethyl)furfural produces much less soluble polymer than that from glucose and galactose, which results in high yields of levulinic acid/ester from fructose. Anhydrate sugar such as levoglucosan tends to undergo the undesirable decomposition to form less levulinic acid/ester. Catalytic behaviors of the poly-sugars (sucrose, maltose, raffinose, β-cyclodextrins) were determined much by their basic units. However, their big molecular sizes create the steric hindrance that significantly affects their followed conversion over solid acid catalyst. Copyright © 2013 Elsevier Ltd. All rights reserved.

  2. Nickel-Catalyzed Coupling of Alkenes, Aldehydes, and Silyl Triflates

    PubMed Central

    Ng, Sze-sze; Ho, Chun-Yu; Jamison, Timothy F.

    2011-01-01

    A full account of two recently developed nickel-catalyzed coupling reactions of alkenes, aldehydes and silyl triflates is presented. These reactions provide either allylic alcohol or homoallylic alcohol derivatives selectively, depending on the ligand employed. These processes are believed to be mechanistically distinct from Lewis acid-catalyzed carbonyl-ene reactions, and several lines of evidence supporting this hypothesis are discussed. PMID:16939275

  3. Pointwise Partial Information Decomposition Using the Specificity and Ambiguity Lattices

    NASA Astrophysics Data System (ADS)

    Finn, Conor; Lizier, Joseph

    2018-04-01

    What are the distinct ways in which a set of predictor variables can provide information about a target variable? When does a variable provide unique information, when do variables share redundant information, and when do variables combine synergistically to provide complementary information? The redundancy lattice from the partial information decomposition of Williams and Beer provided a promising glimpse at the answer to these questions. However, this structure was constructed using a much criticised measure of redundant information, and despite sustained research, no completely satisfactory replacement measure has been proposed. In this paper, we take a different approach, applying the axiomatic derivation of the redundancy lattice to a single realisation from a set of discrete variables. To overcome the difficulty associated with signed pointwise mutual information, we apply this decomposition separately to the unsigned entropic components of pointwise mutual information which we refer to as the specificity and ambiguity. This yields a separate redundancy lattice for each component. Then based upon an operational interpretation of redundancy, we define measures of redundant specificity and ambiguity enabling us to evaluate the partial information atoms in each lattice. These atoms can be recombined to yield the sought-after multivariate information decomposition. We apply this framework to canonical examples from the literature and discuss the results and the various properties of the decomposition. In particular, the pointwise decomposition using specificity and ambiguity satisfies a chain rule over target variables, which provides new insights into the so-called two-bit-copy example.

  4. Metagenomic analysis of antibiotic resistance genes (ARGs) during refuse decomposition.

    PubMed

    Liu, Xi; Yang, Shu; Wang, Yangqing; Zhao, He-Ping; Song, Liyan

    2018-04-12

    Landfill is important reservoirs of residual antibiotics and antibiotic resistance genes (ARGs), but the mechanism of landfill application influence on antibiotic resistance remains unclear. Although refuse decomposition plays a crucial role in landfill stabilization, its impact on the antibiotic resistance has not been well characterized. To better understand the impact, we studied the dynamics of ARGs and the bacterial community composition during refuse decomposition in a bench-scale bioreactor after long term operation (265d) based on metagenomics analysis. The total abundances of ARGs increased from 431.0ppm in the initial aerobic phase (AP) to 643.9ppm in the later methanogenic phase (MP) during refuse decomposition, suggesting that application of landfill for municipal solid waste (MSW) treatment may elevate the level of ARGs. A shift from drug-specific (bacitracin, tetracycline and sulfonamide) resistance to multidrug resistance was observed during the refuse decomposition and was driven by a shift of potential bacteria hosts. The elevated abundance of Pseudomonas mainly contributed to the increasing abundance of multidrug ARGs (mexF and mexW). Accordingly, the percentage of ARGs encoding an efflux pump increased during refuse decomposition, suggesting that potential bacteria hosts developed this mechanism to adapt to the carbon and energy shortage when biodegradable substances were depleted. Overall, our findings indicate that the use of landfill for MSW treatment increased antibiotic resistance, and demonstrate the need for a comprehensive investigation of antibiotic resistance in landfill. Copyright © 2018. Published by Elsevier B.V.

  5. Data-driven process decomposition and robust online distributed modelling for large-scale processes

    NASA Astrophysics Data System (ADS)

    Shu, Zhang; Lijuan, Li; Lijuan, Yao; Shipin, Yang; Tao, Zou

    2018-02-01

    With the increasing attention of networked control, system decomposition and distributed models show significant importance in the implementation of model-based control strategy. In this paper, a data-driven system decomposition and online distributed subsystem modelling algorithm was proposed for large-scale chemical processes. The key controlled variables are first partitioned by affinity propagation clustering algorithm into several clusters. Each cluster can be regarded as a subsystem. Then the inputs of each subsystem are selected by offline canonical correlation analysis between all process variables and its controlled variables. Process decomposition is then realised after the screening of input and output variables. When the system decomposition is finished, the online subsystem modelling can be carried out by recursively block-wise renewing the samples. The proposed algorithm was applied in the Tennessee Eastman process and the validity was verified.

  6. A fast new algorithm for a robot neurocontroller using inverse QR decomposition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Morris, A.S.; Khemaissia, S.

    2000-01-01

    A new adaptive neural network controller for robots is presented. The controller is based on direct adaptive techniques. Unlike many neural network controllers in the literature, inverse dynamical model evaluation is not required. A numerically robust, computationally efficient processing scheme for neutral network weight estimation is described, namely, the inverse QR decomposition (INVQR). The inverse QR decomposition and a weighted recursive least-squares (WRLS) method for neural network weight estimation is derived using Cholesky factorization of the data matrix. The algorithm that performs the efficient INVQR of the underlying space-time data matrix may be implemented in parallel on a triangular array.more » Furthermore, its systolic architecture is well suited for VLSI implementation. Another important benefit is well suited for VLSI implementation. Another important benefit of the INVQR decomposition is that it solves directly for the time-recursive least-squares filter vector, while avoiding the sequential back-substitution step required by the QR decomposition approaches.« less

  7. An analysis of scatter decomposition

    NASA Technical Reports Server (NTRS)

    Nicol, David M.; Saltz, Joel H.

    1990-01-01

    A formal analysis of a powerful mapping technique known as scatter decomposition is presented. Scatter decomposition divides an irregular computational domain into a large number of equal sized pieces, and distributes them modularly among processors. A probabilistic model of workload in one dimension is used to formally explain why, and when scatter decomposition works. The first result is that if correlation in workload is a convex function of distance, then scattering a more finely decomposed domain yields a lower average processor workload variance. The second result shows that if the workload process is stationary Gaussian and the correlation function decreases linearly in distance until becoming zero and then remains zero, scattering a more finely decomposed domain yields a lower expected maximum processor workload. Finally it is shown that if the correlation function decreases linearly across the entire domain, then among all mappings that assign an equal number of domain pieces to each processor, scatter decomposition minimizes the average processor workload variance. The dependence of these results on the assumption of decreasing correlation is illustrated with situations where a coarser granularity actually achieves better load balance.

  8. Comparing the Scoring of Human Decomposition from Digital Images to Scoring Using On-site Observations.

    PubMed

    Dabbs, Gretchen R; Bytheway, Joan A; Connor, Melissa

    2017-09-01

    When in forensic casework or empirical research in-person assessment of human decomposition is not possible, the sensible substitution is color photographic images. To date, no research has confirmed the utility of color photographic images as a proxy for in situ observation of the level of decomposition. Sixteen observers scored photographs of 13 human cadavers in varying decomposition stages (PMI 2-186 days) using the Total Body Score system (total n = 929 observations). The on-site TBS was compared with recorded observations from digital color images using a paired samples t-test. The average difference between on-site and photographic observations was -0.20 (t = -1.679, df = 928, p = 0.094). Individually, only two observers, both students with <1 year of experience, demonstrated TBS statistically significantly different than the on-site value, suggesting that with experience, observations of human decomposition based on digital images can be substituted for assessments based on observation of the corpse in situ, when necessary. © 2017 American Academy of Forensic Sciences.

  9. A new mild base-catalyzed Mannich reaction of hetero-arylamines in water: highly efficient stereoselective synthesis of beta-aminoketones under microwave heating.

    PubMed

    Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Zhang, Xiao-Hong; Han, Zheng-Guo; Shi, Feng

    2009-04-07

    A new mild base-catalyzed Mannich reaction of aromatic aldehydes with 1,2-diphenylethanone and hetero-arylamines including pyridin-2-amine and pyrimidin-2-amine is described. In this reaction, a series of new beta-aminoketones were stereoselectively synthesized in water by controlling the steric hindrance of the substrates under microwave heating. This method has the advantages of a short synthetic route, operational simplicity, increased safety for small-scale high-speed synthesis, and minimal environmental impact.

  10. Error reduction in EMG signal decomposition

    PubMed Central

    Kline, Joshua C.

    2014-01-01

    Decomposition of the electromyographic (EMG) signal into constituent action potentials and the identification of individual firing instances of each motor unit in the presence of ambient noise are inherently probabilistic processes, whether performed manually or with automated algorithms. Consequently, they are subject to errors. We set out to classify and reduce these errors by analyzing 1,061 motor-unit action-potential trains (MUAPTs), obtained by decomposing surface EMG (sEMG) signals recorded during human voluntary contractions. Decomposition errors were classified into two general categories: location errors representing variability in the temporal localization of each motor-unit firing instance and identification errors consisting of falsely detected or missed firing instances. To mitigate these errors, we developed an error-reduction algorithm that combines multiple decomposition estimates to determine a more probable estimate of motor-unit firing instances with fewer errors. The performance of the algorithm is governed by a trade-off between the yield of MUAPTs obtained above a given accuracy level and the time required to perform the decomposition. When applied to a set of sEMG signals synthesized from real MUAPTs, the identification error was reduced by an average of 1.78%, improving the accuracy to 97.0%, and the location error was reduced by an average of 1.66 ms. The error-reduction algorithm in this study is not limited to any specific decomposition strategy. Rather, we propose it be used for other decomposition methods, especially when analyzing precise motor-unit firing instances, as occurs when measuring synchronization. PMID:25210159

  11. Scalable parallel elastic-plastic finite element analysis using a quasi-Newton method with a balancing domain decomposition preconditioner

    NASA Astrophysics Data System (ADS)

    Yusa, Yasunori; Okada, Hiroshi; Yamada, Tomonori; Yoshimura, Shinobu

    2018-04-01

    A domain decomposition method for large-scale elastic-plastic problems is proposed. The proposed method is based on a quasi-Newton method in conjunction with a balancing domain decomposition preconditioner. The use of a quasi-Newton method overcomes two problems associated with the conventional domain decomposition method based on the Newton-Raphson method: (1) avoidance of a double-loop iteration algorithm, which generally has large computational complexity, and (2) consideration of the local concentration of nonlinear deformation, which is observed in elastic-plastic problems with stress concentration. Moreover, the application of a balancing domain decomposition preconditioner ensures scalability. Using the conventional and proposed domain decomposition methods, several numerical tests, including weak scaling tests, were performed. The convergence performance of the proposed method is comparable to that of the conventional method. In particular, in elastic-plastic analysis, the proposed method exhibits better convergence performance than the conventional method.

  12. Stochiometry, Microbial community composition and decomposition, a modelling analysis

    NASA Astrophysics Data System (ADS)

    Berninger, Frank; Zhou, Xuan; Aaltonen, Heidi; Köster, Kajar; Heinonsalo, Jussi; Pumpanen, Jukka

    2017-04-01

    Enzyme activity based litter decomposition models describe the decomposition of soil organic matter as a function of microbial biomass and its activity. In these models, decomposition depends largely on microbial and litter stoïchiometry. We, used the model of Schimel and Weintraub (Soil Biology & Biochemistry 35 (2003) 549-563 largely relying on the modification of Waring B et al. Ecology Letters, (2013) 16: 887-894) and we modified the model to include bacteria, fungi and mycorrizal fungi as decomposer groups assuming different stochiometries. The model was tested against previously published data from a fire chronosequence from northern Finland. The model reconstructed well the development of soil organic matter, microbial biomasses, enzyme actitivies with time after fire. In a theoretical model analysis we tried to understand how the exchange of carbon and nitrogen between mycorrhiza and the plant as different litter stoïchiometries interact. The results indicate that if a high percentage of fungal N uptake is transferred to the plant mycorrhizal biomass will decrease drastically and does decrease, due to low mycorrhizal biomasses, the N uptake of plants. If a lower proportion of the fungal N uptake is transferred to the plant the N uptake of the plants is reasonable stable while the proportion of mycorrhiza of the total fungal biomass varies. The model is also able to simulate priming of soil organic matter decomposition.

  13. Synthesis of seaweed based carbon acid catalyst by thermal decomposition of ammonium sulfate for biodiesel production

    NASA Astrophysics Data System (ADS)

    Ee, Tang Zo; Lim, Steven; Ling, Pang Yean; Huei, Wong Kam; Chyuan, Ong Hwai

    2017-04-01

    Experiment was carried out to study the feasibility of biomass derived solid acid catalyst for the production of biodiesel using Palm Fatty Acid Distillate (PFAD). Malaysia indigenous seaweed was selected as the biomass to be carbonized as the catalyst support. Sulfonation of seaweed based carbon material was carried out by thermal decomposition of ammonium sulfate, (NH4)2SO4. The effects of carbonization temperature at 200 to 600°C on the catalyst physical and chemical properties were studied. The effect of reaction parameters on the fatty acid methyl ester (FAME) yield was studied by varying the concentration of ammonium sulfate (5.0 to 40.0 w/v%) and thermal decomposition time (15 to 90 min). Characterizations of catalyst were carried out to study the catalyst surface morphology with Scanning Electron Microscope (SEM), acid density with back titration and functional group attached with FT-IR. Results showed that when the catalyst sulfonated with 10.0 w/v% ammonium sulfate solution and heated to 235°C for 30 min, the highest FAME yield achieved was 23.7% at the reaction condition of 5.0 wt.% catalyst loading, esterification time of 4 h, methanol to PFAD molar ratio of 20:1 at 100°C reaction temperature.

  14. Detection of Protein Complexes Based on Penalized Matrix Decomposition in a Sparse Protein⁻Protein Interaction Network.

    PubMed

    Cao, Buwen; Deng, Shuguang; Qin, Hua; Ding, Pingjian; Chen, Shaopeng; Li, Guanghui

    2018-06-15

    High-throughput technology has generated large-scale protein interaction data, which is crucial in our understanding of biological organisms. Many complex identification algorithms have been developed to determine protein complexes. However, these methods are only suitable for dense protein interaction networks, because their capabilities decrease rapidly when applied to sparse protein⁻protein interaction (PPI) networks. In this study, based on penalized matrix decomposition ( PMD ), a novel method of penalized matrix decomposition for the identification of protein complexes (i.e., PMD pc ) was developed to detect protein complexes in the human protein interaction network. This method mainly consists of three steps. First, the adjacent matrix of the protein interaction network is normalized. Second, the normalized matrix is decomposed into three factor matrices. The PMD pc method can detect protein complexes in sparse PPI networks by imposing appropriate constraints on factor matrices. Finally, the results of our method are compared with those of other methods in human PPI network. Experimental results show that our method can not only outperform classical algorithms, such as CFinder, ClusterONE, RRW, HC-PIN, and PCE-FR, but can also achieve an ideal overall performance in terms of a composite score consisting of F-measure, accuracy (ACC), and the maximum matching ratio (MMR).

  15. Recent advances in copper-catalyzed asymmetric coupling reactions

    PubMed Central

    2015-01-01

    Summary Copper-catalyzed (or -mediated) asymmetric coupling reactions have received significant attention over the past few years. Especially the coupling reactions of aryl or alkyl halides with nucleophiles became a very powerful tool for the formation of C–C, C–N, C–O and other carbon–heteroatom bonds as well as for the construction of heteroatom-containing ring systems. This review summarizes the recent progress in copper-catalyzed asymmetric coupling reactions for the formation of C–C and carbon–heteroatom bonds. PMID:26734106

  16. Molecular dynamics simulations of methane hydrate decomposition.

    PubMed

    Myshakin, Evgeniy M; Jiang, Hao; Warzinski, Robert P; Jordan, Kenneth D

    2009-03-12

    Molecular dynamics simulations have been carried out to study decomposition of methane hydrate at different cage occupancies. The decomposition rate is found to depend sensitively on the hydration number. The rate of the destruction of the cages displays Arrhenius behavior, consistent with an activated mechanism. During the simulations, reversible formation of partial water cages around methane molecules in the liquid was observed at the interface at temperatures above the computed hydrate decomposition temperature.

  17. Functionalization of Tactile Sensation for Robot Based on Haptograph and Modal Decomposition

    NASA Astrophysics Data System (ADS)

    Yokokura, Yuki; Katsura, Seiichiro; Ohishi, Kiyoshi

    In the real world, robots should be able to recognize the environment in order to be of help to humans. A video camera and a laser range finder are devices that can help robots recognize the environment. However, these devices cannot obtain tactile information from environments. Future human-assisting-robots should have the ability to recognize haptic signals, and a disturbance observer can possibly be used to provide the robot with this ability. In this study, a disturbance observer is employed in a mobile robot to functionalize the tactile sensation. This paper proposes a method that involves the use of haptograph and modal decomposition for the haptic recognition of road environments. The haptograph presents a graphic view of the tactile information. It is possible to classify road conditions intuitively. The robot controller is designed by considering the decoupled modal coordinate system, which consists of translational and rotational modes. Modal decomposition is performed by using a quarry matrix. Once the robot is provided with the ability to recognize tactile sensations, its usefulness to humans will increase.

  18. Diazo compounds and N-tosylhydrazones: novel cross-coupling partners in transition-metal-catalyzed reactions.

    PubMed

    Xiao, Qing; Zhang, Yan; Wang, Jianbo

    2013-02-19

    Transition-metal-catalyzed carbene transformations and cross-couplings represent two major reaction types in organometallic chemistry and organic synthesis. However, for a long period of time, these two important areas have evolved separately, with essentially no overlap or integration. Thus, an intriguing question has emerged: can cross-coupling and metal carbene transformations be merged into a single reaction cycle? Such a combination could facilitate the development of novel carbon-carbon bond-forming methodologies. Although this concept was first explored about 10 years ago, rapid developments inthis area have been achieved recently. Palladium catalysts can be used to couple diazo compounds with a wide variety of organic halides. Under oxidative coupling conditions, diazo compounds can also react with arylboronic acids and terminal alkynes. Both of these coupling reactions form carbon-carbon double bonds. As the key step in these catalytic processes, Pd carbene migratory insertion plays a vital role in merging the elementary steps of Pd intermediates, leading to novel carbon-carbon bond formations. Because the diazo substrates can be generated in situ from N-tosylhydrazones in the presence of base, the N-tosylhydrazones can be used as reaction partners, making this type of cross-coupling reaction practical in organic synthesis. N-Tosylhydrazones are easily derived from the corresponding aldehydes or ketones. The Pd-catalyzed cross-coupling of N-tosylhydrazones is considered a complementary reaction to the classic Shapiro reaction for converting carbonyl functionalities into carbon-carbon double bonds. It can also serve as an alternative approach for the Pd-catalyzed cross-coupling of carbonyl compounds, which is usually achieved via triflates. The combination of carbene formation and cross-coupling in a single catalytic cycle is not limited to Pd-catalyzed reactions. Recent studies of Cu-, Rh-, Ni-, and Co-catalyzed cross-coupling reactions with diazo

  19. Sequential Aldol Condensation – Transition Metal-Catalyzed Addition Reactions of Aldehydes, Methyl Ketones and Arylboronic Acids

    PubMed Central

    Liao, Yuan-Xi; Xing, Chun-Hui; Israel, Matthew; Hu, Qiao-Sheng

    2011-01-01

    Sequential aldol condensation of aldehydes with methyl ketones followed by transition metal-catalyzed addition reactions of arylboronic acids to form β-substituted ketones is described. By using the 1,1′-spirobiindane-7,7′-diol (SPINOL)-based phosphite, an asymmetric version of this type of sequential reaction, with up to 92% ee, was also realized. Our study provided an efficient method to access β-substituted ketones and might lead to the development of other sequential/tandem reactions with transition metal-catalyzed addition reactions as the key step. PMID:21417359

  20. DFT study of the molybdenum-catalyzed deoxydehydration of vicinal diols.

    PubMed

    Lupp, Daniel; Christensen, Niels Johan; Dethlefsen, Johannes R; Fristrup, Peter

    2015-02-16

    The mechanism of the molybdenum-catalyzed deoxydehydration (DODH) of vicinal diols has been investigated using density functional theory. The proposed catalytic cycle involves condensation of the diol with an Mo(VI) oxo complex, oxidative cleavage of the diol resulting in an Mo(IV) complex, and extrusion of the alkene. We have compared the proposed pathway with several alternatives, and the results have been corroborated by comparison with the molybdenum-catalyzed sulfoxide reduction recently published by Sanz et al. and with experimental observations for the DODH itself. Improved understanding of the mechanism should expedite future optimization of molybdenum-catalyzed biomass transformations. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Catalytic N 2O decomposition and reduction by NH 3 over Fe/Beta and Fe/SSZ-13 catalysts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Aiyong; Wang, Yilin; Walter, Eric D.

    Fe/zeolites are important N 2O abatement catalysts, efficient in direct N 2O decomposition and (selective) catalytic N 2O reduction. In this study, Fe/Beta and Fe/SSZ-13 were synthesized via solution ion-exchange and used to catalyze these two reactions. Nature of the Fe species was probed with UV-vis, Mössbauer and EPR spectroscopies and H2-TPR. The characterizations collectively indicate that isolated and dinuclear Fe sites dominate in Fe/SSZ-13, whereas Fe/Beta contains higher concentrations of oligomeric Fe xO y species. H 2-TPR results suggest that Fe-O interactions are weaker in Fe/SSZ-13, as evidenced by the lower reduction temperatures and higher extents of autoreduction duringmore » high-temperature pretreatments in inert gas. Kinetic measurements show that Fe/SSZ-13 has higher activity in catalytic N 2O decomposition, thus demonstrating a positive correlation between activity and Fe-O binding, consistent with O 2 desorption being rate-limiting for this reaction. However, Fe/Beta was found to be more active in catalyzing N 2O reduction by NH 3. This indicates that larger active ensembles (i.e., oligomers) are more active for this reaction, consistent with the fact that both N 2O and NH 3 need to be activated in this case. The authors from PNNL gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle. Aiyong Wang gratefully acknowledges the China Scholarship Council for the Joint-Training Scholarship Program with the Pacific Northwest National Laboratory (PNNL). The authors from East China University of Science and Technology acknowledge

  2. Thermal stability and kinetics of decomposition of ammonium nitrate in the presence of pyrite.

    PubMed

    Gunawan, Richard; Zhang, Dongke

    2009-06-15

    The interaction between ammonium nitrate based industrial explosives and pyrite-rich minerals in mining operations can lead to the occurrence of spontaneous explosion of the explosives. In an effort to provide a scientific basis for safe applications of industrial explosives in reactive mining grounds containing pyrite, ammonium nitrate decomposition, with and without the presence of pyrite, was studied using a simultaneous Differential Scanning Calorimetry and Thermogravimetric Analyser (DSC-TGA) and a gas-sealed isothermal reactor, respectively. The activation energy and the pre-exponential factor of ammonium nitrate decomposition were determined to be 102.6 kJ mol(-1) and 4.55 x 10(7)s(-1) without the presence of pyrite and 101.8 kJ mol(-1) and 2.57 x 10(9)s(-1) with the presence of pyrite. The kinetics of ammonium nitrate decomposition was then used to calculate the critical temperatures for ammonium nitrate decomposition with and without the presence of pyrite, based on the Frank-Kamenetskii model of thermal explosion. It was shown that the presence of pyrite reduces the temperature for, and accelerates the rate of, decomposition of ammonium nitrate. It was further shown that pyrite can significantly reduce the critical temperature of ammonium nitrate decomposition, causing undesired premature detonation of the explosives. The critical temperature also decreases with increasing diameter of the blast holes charged with the explosive. The concept of using the critical temperature as indication of the thermal stability of the explosives to evaluate the risk of spontaneous explosion was verified in the gas-sealed isothermal reactor experiments.

  3. Base-Catalyzed Depolymerization of Solid Lignin-Rich Streams Enables Microbial Conversion

    DOE PAGES

    Rodriguez, Alberto; Salvachúa, Davinia; Katahira, Rui; ...

    2017-08-01

    Lignin valorization offers significant potential to enhance the economic viability of lignocellulosic biorefineries. However, because of its heterogeneous and recalcitrant nature, conversion of lignin to value-added coproducts remains a considerable technical challenge. Here, we employ base-catalyzed depolymerization (BCD) using a process-relevant solid lignin stream produced via deacetylation, mechanical refining, and enzymatic hydrolysis to enable biological lignin conversion. BCD was conducted with the solid lignin substrate over a range of temperatures at two NaOH concentrations, and the results demonstrate that the lignin can be partially extracted and saponified at temperatures as low as 60 degrees C. At 120 °C and 2%more » NaOH, the high extent of lignin solubility was accompanied by a considerable decrease in the lignin average molecular weight and the release of lignin-derived monomers including hydroxycinnamic acids. BCD liquors were tested for microbial growth using seven aromatic-catabolizing bacteria and two yeasts. Three organisms (Pseudomonas putida KT2440, Rhodotorula mucilaginosa, and Corynebacterium glutamicum) tolerate high BCD liquor concentrations (up to 90% v/v) and rapidly consume the main lignin-derived monomers, resulting in lignin conversion of up to 15%. Furthermore, as a proof of concept, muconic acid production from a representative lignin BCD liquor was demonstrated with an engineered P. putida KT2440 strain. Our results highlight the potential for a mild lignin depolymerization process to enhance the microbial conversion of solid lignin-rich biorefinery streams.« less

  4. Base-Catalyzed Depolymerization of Solid Lignin-Rich Streams Enables Microbial Conversion

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rodriguez, Alberto; Salvachúa, Davinia; Katahira, Rui

    Lignin valorization offers significant potential to enhance the economic viability of lignocellulosic biorefineries. However, because of its heterogeneous and recalcitrant nature, conversion of lignin to value-added coproducts remains a considerable technical challenge. Here, we employ base-catalyzed depolymerization (BCD) using a process-relevant solid lignin stream produced via deacetylation, mechanical refining, and enzymatic hydrolysis to enable biological lignin conversion. BCD was conducted with the solid lignin substrate over a range of temperatures at two NaOH concentrations, and the results demonstrate that the lignin can be partially extracted and saponified at temperatures as low as 60 degrees C. At 120 °C and 2%more » NaOH, the high extent of lignin solubility was accompanied by a considerable decrease in the lignin average molecular weight and the release of lignin-derived monomers including hydroxycinnamic acids. BCD liquors were tested for microbial growth using seven aromatic-catabolizing bacteria and two yeasts. Three organisms (Pseudomonas putida KT2440, Rhodotorula mucilaginosa, and Corynebacterium glutamicum) tolerate high BCD liquor concentrations (up to 90% v/v) and rapidly consume the main lignin-derived monomers, resulting in lignin conversion of up to 15%. Furthermore, as a proof of concept, muconic acid production from a representative lignin BCD liquor was demonstrated with an engineered P. putida KT2440 strain. Our results highlight the potential for a mild lignin depolymerization process to enhance the microbial conversion of solid lignin-rich biorefinery streams.« less

  5. Decomposition of toluene in a steady-state atmospheric-pressure glow discharge

    NASA Astrophysics Data System (ADS)

    Trushkin, A. N.; Grushin, M. E.; Kochetov, I. V.; Trushkin, N. I.; Akishev, Yu. S.

    2013-02-01

    Results are presented from experimental studies of decomposition of toluene (C6H5CH3) in a polluted air flow by means of a steady-state atmospheric pressure glow discharge at different water vapor contents in the working gas. The experimental results on the degree of C6H5CH3 removal are compared with the results of computer simulations conducted in the framework of the developed kinetic model of plasma chemical decomposition of toluene in the N2: O2: H2O gas mixture. A substantial influence of the gas flow humidity on toluene decomposition in the atmospheric pressure glow discharge is demonstrated. The main mechanisms of the influence of humidity on C6H5CH3 decomposition are determined. The existence of two stages in the process of toluene removal, which differ in their duration and the intensity of plasma chemical decomposition of C6H5CH3 is established. Based on the results of computer simulations, the composition of the products of plasma chemical reactions at the output of the reactor is analyzed as a function of the specific energy deposition and gas flow humidity. The existence of a catalytic cycle in which hydroxyl radical OH acts a catalyst and which substantially accelerates the recombination of oxygen atoms and suppression of ozone generation when the plasma-forming gas contains water vapor is established.

  6. Trace Norm Regularized CANDECOMP/PARAFAC Decomposition With Missing Data.

    PubMed

    Liu, Yuanyuan; Shang, Fanhua; Jiao, Licheng; Cheng, James; Cheng, Hong

    2015-11-01

    In recent years, low-rank tensor completion (LRTC) problems have received a significant amount of attention in computer vision, data mining, and signal processing. The existing trace norm minimization algorithms for iteratively solving LRTC problems involve multiple singular value decompositions of very large matrices at each iteration. Therefore, they suffer from high computational cost. In this paper, we propose a novel trace norm regularized CANDECOMP/PARAFAC decomposition (TNCP) method for simultaneous tensor decomposition and completion. We first formulate a factor matrix rank minimization model by deducing the relation between the rank of each factor matrix and the mode- n rank of a tensor. Then, we introduce a tractable relaxation of our rank function, and then achieve a convex combination problem of much smaller-scale matrix trace norm minimization. Finally, we develop an efficient algorithm based on alternating direction method of multipliers to solve our problem. The promising experimental results on synthetic and real-world data validate the effectiveness of our TNCP method. Moreover, TNCP is significantly faster than the state-of-the-art methods and scales to larger problems.

  7. A structural model decomposition framework for systems health management

    NASA Astrophysics Data System (ADS)

    Roychoudhury, I.; Daigle, M.; Bregon, A.; Pulido, B.

    Systems health management (SHM) is an important set of technologies aimed at increasing system safety and reliability by detecting, isolating, and identifying faults; and predicting when the system reaches end of life (EOL), so that appropriate fault mitigation and recovery actions can be taken. Model-based SHM approaches typically make use of global, monolithic system models for online analysis, which results in a loss of scalability and efficiency for large-scale systems. Improvement in scalability and efficiency can be achieved by decomposing the system model into smaller local submodels and operating on these submodels instead. In this paper, the global system model is analyzed offline and structurally decomposed into local submodels. We define a common model decomposition framework for extracting submodels from the global model. This framework is then used to develop algorithms for solving model decomposition problems for the design of three separate SHM technologies, namely, estimation (which is useful for fault detection and identification), fault isolation, and EOL prediction. We solve these model decomposition problems using a three-tank system as a case study.

  8. A Structural Model Decomposition Framework for Systems Health Management

    NASA Technical Reports Server (NTRS)

    Roychoudhury, Indranil; Daigle, Matthew J.; Bregon, Anibal; Pulido, Belamino

    2013-01-01

    Systems health management (SHM) is an important set of technologies aimed at increasing system safety and reliability by detecting, isolating, and identifying faults; and predicting when the system reaches end of life (EOL), so that appropriate fault mitigation and recovery actions can be taken. Model-based SHM approaches typically make use of global, monolithic system models for online analysis, which results in a loss of scalability and efficiency for large-scale systems. Improvement in scalability and efficiency can be achieved by decomposing the system model into smaller local submodels and operating on these submodels instead. In this paper, the global system model is analyzed offline and structurally decomposed into local submodels. We define a common model decomposition framework for extracting submodels from the global model. This framework is then used to develop algorithms for solving model decomposition problems for the design of three separate SHM technologies, namely, estimation (which is useful for fault detection and identification), fault isolation, and EOL prediction. We solve these model decomposition problems using a three-tank system as a case study.

  9. Bi-dimensional empirical mode decomposition based fringe-like pattern suppression in polarization interference imaging spectrometer

    NASA Astrophysics Data System (ADS)

    Ren, Wenyi; Cao, Qizhi; Wu, Dan; Jiang, Jiangang; Yang, Guoan; Xie, Yingge; Wang, Guodong; Zhang, Sheqi

    2018-01-01

    Many observers using interference imaging spectrometer were plagued by the fringe-like pattern(FP) that occurs for optical wavelengths in red and near-infrared region. It brings us more difficulties in the data processing such as the spectrum calibration, information retrieval, and so on. An adaptive method based on the bi-dimensional empirical mode decomposition was developed to suppress the nonlinear FP in polarization interference imaging spectrometer. The FP and corrected interferogram were separated effectively. Meanwhile, the stripes introduced by CCD mosaic was suppressed. The nonlinear interferogram background removal and the spectrum distortion correction were implemented as well. It provides us an alternative method to adaptively suppress the nonlinear FP without prior experimental data and knowledge. This approach potentially is a powerful tool in the fields of Fourier transform spectroscopy, holographic imaging, optical measurement based on moire fringe, etc.

  10. Robust and Efficient Biomolecular Clustering of Tumor Based on ${p}$ -Norm Singular Value Decomposition.

    PubMed

    Kong, Xiang-Zhen; Liu, Jin-Xing; Zheng, Chun-Hou; Hou, Mi-Xiao; Wang, Juan

    2017-07-01

    High dimensionality has become a typical feature of biomolecular data. In this paper, a novel dimension reduction method named p-norm singular value decomposition (PSVD) is proposed to seek the low-rank approximation matrix to the biomolecular data. To enhance the robustness to outliers, the Lp-norm is taken as the error function and the Schatten p-norm is used as the regularization function in the optimization model. To evaluate the performance of PSVD, the Kmeans clustering method is then employed for tumor clustering based on the low-rank approximation matrix. Extensive experiments are carried out on five gene expression data sets including two benchmark data sets and three higher dimensional data sets from the cancer genome atlas. The experimental results demonstrate that the PSVD-based method outperforms many existing methods. Especially, it is experimentally proved that the proposed method is more efficient for processing higher dimensional data with good robustness, stability, and superior time performance.

  11. Patient-Specific Seizure Detection in Long-Term EEG Using Signal-Derived Empirical Mode Decomposition (EMD)-based Dictionary Approach.

    PubMed

    Kaleem, Muhammad; Gurve, Dharmendra; Guergachi, Aziz; Krishnan, Sridhar

    2018-06-25

    The objective of the work described in this paper is development of a computationally efficient methodology for patient-specific automatic seizure detection in long-term multi-channel EEG recordings. Approach: A novel patient-specific seizure detection approach based on signal-derived Empirical Mode Decomposition (EMD)-based dictionary approach is proposed. For this purpose, we use an empirical framework for EMD-based dictionary creation and learning, inspired by traditional dictionary learning methods, in which the EMD-based dictionary is learned from the multi-channel EEG data being analyzed for automatic seizure detection. We present the algorithm for dictionary creation and learning, whose purpose is to learn dictionaries with a small number of atoms. Using training signals belonging to seizure and non-seizure classes, an initial dictionary, termed as the raw dictionary, is formed. The atoms of the raw dictionary are composed of intrinsic mode functions obtained after decomposition of the training signals using the empirical mode decomposition algorithm. The raw dictionary is then trained using a learning algorithm, resulting in a substantial decrease in the number of atoms in the trained dictionary. The trained dictionary is then used for automatic seizure detection, such that coefficients of orthogonal projections of test signals against the trained dictionary form the features used for classification of test signals into seizure and non-seizure classes. Thus no hand-engineered features have to be extracted from the data as in traditional seizure detection approaches. Main results: The performance of the proposed approach is validated using the CHB-MIT benchmark database, and averaged accuracy, sensitivity and specificity values of 92.9%, 94.3% and 91.5%, respectively, are obtained using support vector machine classifier and five-fold cross-validation method. These results are compared with other approaches using the same database

  12. Chemoenzymatic Synthesis of Oligo(L-cysteine) for Use as a Thermostable Bio-Based Material.

    PubMed

    Ma, Yinan; Sato, Ryota; Li, Zhibo; Numata, Keiji

    2016-01-01

    Oligomerization of thiol-unprotected L-cysteine ethyl ester (Cys-OEt) catalyzed by proteinase K in aqueous solution has been used to synthesize oligo(L-cysteine) (OligoCys) with a well-defined chemical structure and relatively large degree of polymerization (DP) up to 16-17 (average 8.8). By using a high concentration of Cys-OEt, 78.0% free thiol content was achieved. The thermal properties of OligoCys are stable, with no glass transition until 200 °C, and the decomposition temperature could be increased by oxidation. Chemoenzymatically synthesized OligoCys has great potential for use as a thermostable bio-based material with resistance to oxidation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Imidazole catalyzes chlorination by unreactive primary chloramines

    PubMed Central

    Roemeling, Margo D.; Williams, Jared; Beckman, Joseph S.; Hurst, James K.

    2015-01-01

    Hypochlorous acid and simple chloramines (RNHCl) are stable biologically-derived chlorinating agents. In general, the chlorination potential of HOCl is much greater than that of RNHCl, allowing it to oxidize or chlorinate a much wider variety of reaction partners. However, in this study we demonstrate by kinetic analysis that the reactivity of RNHCl can be dramatically promoted by imidazole and histidyl model compounds via intermediary formation of the corresponding imidazole chloramines. Two biologically relevant reactions were investigated—loss of imidazole-catalyzed chlorinating capacity and phenolic ring chlorination using fluorescein and the tyrosine analog, 4-hydroxyphenylacetic acid (HPA). HOCl reacted stoichiometrically with imidazole, N-acetylhistidine (NAH), or imidazoleacetic acid to generate the corresponding imidazole chloramines which subsequently decomposed. Chloramine (NH2Cl) also underwent a markedly accelerated loss in chlorinating capacity when NAH was present, although in this case NAHCl did not accumulate, indicating that the catalytic intermediate must be highly reactive. Mixing HOCl with 1-methylimidazole (MeIm) led to very rapid loss in chlorinating capacity via formation of a highly reactive chlorinium ion (MeImCl+) intermediate; this behavior suggests that the reactive forms of the analogous imidazole chloramines are their conjugate acids, e.g., the imidazolechlorinium ion (HImCl+). HOCl-generated imidazole chloramine (ImCl) reacted rapidly with fluorescein in a specific acid-catalyzed second order reaction to give 3′-monochloro and 3′,5′-dichloro products. Equilibrium constants for the transchlorination reactions: HOCl + HIm = H2O + ImCl and NH2Cl + HIm = NH3 + ImCl were estimated from the dependence of the rate constants upon [HIm]/[HOCl] and literature data. Acid catalysis again suggests that the actual chlorinating agent is HImCl+; consistent with this interpretation, MeIm markedly catalyzed fluorescein chlorination by HOCl

  14. An epileptic seizures detection algorithm based on the empirical mode decomposition of EEG.

    PubMed

    Orosco, Lorena; Laciar, Eric; Correa, Agustina Garces; Torres, Abel; Graffigna, Juan P

    2009-01-01

    Epilepsy is a neurological disorder that affects around 50 million people worldwide. The seizure detection is an important component in the diagnosis of epilepsy. In this study, the Empirical Mode Decomposition (EMD) method was proposed on the development of an automatic epileptic seizure detection algorithm. The algorithm first computes the Intrinsic Mode Functions (IMFs) of EEG records, then calculates the energy of each IMF and performs the detection based on an energy threshold and a minimum duration decision. The algorithm was tested in 9 invasive EEG records provided and validated by the Epilepsy Center of the University Hospital of Freiburg. In 90 segments analyzed (39 with epileptic seizures) the sensitivity and specificity obtained with the method were of 56.41% and 75.86% respectively. It could be concluded that EMD is a promissory method for epileptic seizure detection in EEG records.

  15. A New Approach of evaluating the damage in simply-supported reinforced concrete beam by Local mean decomposition (LMD)

    NASA Astrophysics Data System (ADS)

    Zhang, Xuebing; Liu, Ning; Xi, Jiaxin; Zhang, Yunqi; Zhang, Wenchun; Yang, Peipei

    2017-08-01

    How to analyze the nonstationary response signals and obtain vibration characters is extremely important in the vibration-based structural diagnosis methods. In this work, we introduce a more reasonable time-frequency decomposition method termed local mean decomposition (LMD) to instead the widely-used empirical mode decomposition (EMD). By employing the LMD method, one can derive a group of component signals, each of which is more stationary, and then analyze the vibration state and make the assessment of structural damage of a construction or building. We illustrated the effectiveness of LMD by a synthetic data and an experimental data recorded in a simply-supported reinforced concrete beam. Then based on the decomposition results, an elementary method of damage diagnosis was proposed.

  16. Reaction behaviors of decomposition of monocrotophos in aqueous solution by UV and UV/O processes.

    PubMed

    Ku, Y; Wang, W; Shen, Y S

    2000-02-01

    The decomposition of monocrotophos (cis-3-dimethoxyphosphinyloxy-N-methyl-crotonamide) in aqueous solution by UV and UV/O(3) processes was studied. The experiments were carried out under various solution pH values to investigate the decomposition efficiencies of the reactant and organic intermediates in order to determine the completeness of decomposition. The photolytic decomposition rate of monocrotophos was increased with increasing solution pH because the solution pH affects the distribution and light absorbance of monocrotophos species. The combination of O(3) with UV light apparently promoted the decomposition and mineralization of monocrotophos in aqueous solution. For the UV/O(3) process, the breakage of the >C=C< bond of monocrotophos by ozone molecules was found to occur first, followed by mineralization by hydroxyl radicals to generate CO(3)(2-), PO4(3-), and NO(3)(-) anions in sequence. The quasi-global kinetics based on a simplified consecutive-parallel reaction scheme was developed to describe the temporal behavior of monocrotophos decomposition in aqueous solution by the UV/O(3) process.

  17. Decomposition of heterogeneous organic matterand its long-term stabilization in soils

    USGS Publications Warehouse

    Sierra, Carlos A.; Harmon, Mark E.; Perakis, Steven S.

    2011-01-01

    Soil organic matter is a complex mixture of material with heterogeneous biological, physical, and chemical properties. Decomposition models represent this heterogeneity either as a set of discrete pools with different residence times or as a continuum of qualities. It is unclear though, whether these two different approaches yield comparable predictions of organic matter dynamics. Here, we compare predictions from these two different approaches and propose an intermediate approach to study organic matter decomposition based on concepts from continuous models implemented numerically. We found that the disagreement between discrete and continuous approaches can be considerable depending on the degree of nonlinearity of the model and simulation time. The two approaches can diverge substantially for predicting long-term processes in soils. Based on our alternative approach, which is a modification of the continuous quality theory, we explored the temporal patterns that emerge by treating substrate heterogeneity explicitly. The analysis suggests that the pattern of carbon mineralization over time is highly dependent on the degree and form of nonlinearity in the model, mostly expressed as differences in microbial growth and efficiency for different substrates. Moreover, short-term stabilization and destabilization mechanisms operating simultaneously result in long-term accumulation of carbon characterized by low decomposition rates, independent of the characteristics of the incoming litter. We show that representation of heterogeneity in the decomposition process can lead to substantial improvements in our understanding of carbon mineralization and its long-term stability in soils.

  18. Chinese Orthographic Decomposition and Logographic Structure

    ERIC Educational Resources Information Center

    Cheng, Chao-Ming; Lin, Shan-Yuan

    2013-01-01

    "Chinese orthographic decomposition" refers to a sense of uncertainty about the writing of a well-learned Chinese character following a prolonged inspection of the character. This study investigated the decomposition phenomenon in a test situation in which Chinese characters were repeatedly presented in a word context and assessed…

  19. INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Solvable Catalyzed Birth-Death-Exchange Competition Model of Three Species

    NASA Astrophysics Data System (ADS)

    Wang, Hai-Feng; Lin, Zhen-Quan; Gao, Yan; Zhang, Heng

    2009-10-01

    A competition model of three species in exchange-driven aggregation growth is proposed. In the model, three distinct aggregates grow by exchange of monomers and in parallel, birth of species A is catalyzed by species B and death of species A is catalyzed by species C. The rates for both catalysis processes are proportional to kjν and kjω respectively, where ν(Ω) is a parameter reflecting the dependence of the catalysis reaction rate of birth (death) on the catalyst aggregate's size. The kinetic evolution behaviors of the three species are investigated by the rate equation approach based on the mean-field theory. The form of the aggregate size distribution of A-species ak(t) is found to be dependent crucially on the two catalysis rate kernel parameters. The results show that (i) in case of μ <= 0, the form of ak(t) mainly depends on the competition between self-exchange of species A and species-C-catalyzed death of species A; (ii) in case of ν > 0, the form of ak(t) mainly depends on the competition between species-B-catalyzed birth of species A and species-C-catalyzed death of species A.

  20. Automatic image enhancement based on multi-scale image decomposition

    NASA Astrophysics Data System (ADS)

    Feng, Lu; Wu, Zhuangzhi; Pei, Luo; Long, Xiong

    2014-01-01

    In image processing and computational photography, automatic image enhancement is one of the long-range objectives. Recently the automatic image enhancement methods not only take account of the globe semantics, like correct color hue and brightness imbalances, but also the local content of the image, such as human face and sky of landscape. In this paper we describe a new scheme for automatic image enhancement that considers both global semantics and local content of image. Our automatic image enhancement method employs the multi-scale edge-aware image decomposition approach to detect the underexposure regions and enhance the detail of the salient content. The experiment results demonstrate the effectiveness of our approach compared to existing automatic enhancement methods.

  1. A new linear back projection algorithm to electrical tomography based on measuring data decomposition

    NASA Astrophysics Data System (ADS)

    Sun, Benyuan; Yue, Shihong; Cui, Ziqiang; Wang, Huaxiang

    2015-12-01

    As an advanced measurement technique of non-radiant, non-intrusive, rapid response, and low cost, the electrical tomography (ET) technique has developed rapidly in recent decades. The ET imaging algorithm plays an important role in the ET imaging process. Linear back projection (LBP) is the most used ET algorithm due to its advantages of dynamic imaging process, real-time response, and easy realization. But the LBP algorithm is of low spatial resolution due to the natural ‘soft field’ effect and ‘ill-posed solution’ problems; thus its applicable ranges are greatly limited. In this paper, an original data decomposition method is proposed, and every ET measuring data are decomposed into two independent new data based on the positive and negative sensing areas of the measuring data. Consequently, the number of total measuring data is extended to twice as many as the number of the original data, thus effectively reducing the ‘ill-posed solution’. On the other hand, an index to measure the ‘soft field’ effect is proposed. The index shows that the decomposed data can distinguish between different contributions of various units (pixels) for any ET measuring data, and can efficiently reduce the ‘soft field’ effect of the ET imaging process. In light of the data decomposition method, a new linear back projection algorithm is proposed to improve the spatial resolution of the ET image. A series of simulations and experiments are applied to validate the proposed algorithm by the real-time performances and the progress of spatial resolutions.

  2. First-principles-based kinetic Monte Carlo simulation of nitric oxide decomposition over Pt and Rh surfaces under lean-burn conditions

    NASA Astrophysics Data System (ADS)

    Mei, Donghai; Ge, Qingfeng; Neurock, Matthew; Kieken, Laurent; Lerou, Jan

    First-principles-based kinetic Monte Carlo simulation was used to track the elementary surface transformations involved in the catalytic decomposition of NO over Pt(100) and Rh(100) surfaces under lean-burn operating conditions. Density functional theory (DFT) calculations were carried out to establish the structure and energetics for all reactants, intermediates and products over Pt(100) and Rh(100). Lateral interactions which arise from neighbouring adsorbates were calculated by examining changes in the binding energies as a function of coverage and different coadsorbed configurations. These data were fitted to a bond order conservation (BOC) model which is subsequently used to establish the effects of coverage within the simulation. The intrinsic activation barriers for all the elementary reaction steps in the proposed mechanism of NO reduction over Pt(100) were calculated by using DFT. These values are corrected for coverage effects by using the parametrized BOC model internally within the simulation. This enables a site-explicit kinetic Monte Carlo simulation that can follow the kinetics of NO decomposition over Pt(100) and Rh(100) in the presence of excess oxygen. The simulations are used here to model various experimental protocols including temperature programmed desorption as well as batch catalytic kinetics. The simulation results for the temperature programmed desorption and decomposition of NO over Pt(100) and Rh(100) under vacuum condition were found to be in very good agreement with experimental results. NO decomposition is strongly tied to the temporal number of sites that remain vacant. Experimental results show that Pt is active in the catalytic reaction of NO into N2 and NO2 under lean-burn conditions. The simulated reaction orders for NO and O2 were found to be +0.9 and -0.4 at 723 K, respectively. The simulation also indicates that there is no activity over Rh(100) since the surface becomes poisoned by oxygen.

  3. Transition metal catalyzed borylation of functional π-systems

    PubMed Central

    SHINOKUBO, Hiroshi

    2014-01-01

    Borylated functional π-systems are useful building blocks to enable efficient synthesis of novel molecular architectures with beautiful structures, intriguing properties and unique functions. Introduction of boronic ester substituents to a variety of extended π-systems can be achieved through either iridium-catalyzed direct C–H borylation or the two-step procedure via electrophilic halogenation followed by palladium-catalyzed borylation. This review article focuses on our recent progress on borylation of large π-conjugated systems such as porphyrins, perylene bisimides, hexabenzocoronenes and dipyrrins. PMID:24492644

  4. Methanol decomposition reactions over a boron-doped graphene supported Ru-Pt catalyst.

    PubMed

    Damte, Jemal Yimer; Lyu, Shang-Lin; Leggesse, Ermias Girma; Jiang, Jyh Chiang

    2018-04-04

    The decomposition of methanol is currently attracting research attention due to the potential widespread applications of its end products. In this work, density functional theory (DFT) calculations have been performed to investigate the adsorption and decomposition of methanol on a Ru-Pt/boron doped graphene surface. We find that the most favorable reaction pathway is methanol (CH3OH) decomposition through O-H bond breaking to form methoxide (CH3O) as the initial step, followed by further dehydrogenation steps which generate formaldehyde (CH2O), formyl (CHO), and carbon monoxide (CO). The calculations illustrate that CH3OH and CO groups prefer to adsorb at the Ru-top sites, while CH2OH, CH3O, CH2O, CHO, and H2 groups favor the Ru-Pt bridge sites, indicating the preference of Ru atoms to adsorb the active intermediates or species having lone-pair electrons. Based on the results, it is found that the energy barrier for CH3OH decomposition through the initial O-H bond breaking is less than its desorption energy of 0.95 eV, showing that CH3OH prefers to undergo decomposition to CH3O rather than direct desorption. The study provides in-depth theoretical insights into the potentially enhanced catalytic activity of Ru-Pt/boron doped graphene surfaces for methanol decomposition reactions, thereby contributing to the understanding and designing of an efficient catalyst under optimum conditions.

  5. DNA-Catalyzed DNA Cleavage by a Radical Pathway with Well-Defined Products.

    PubMed

    Lee, Yujeong; Klauser, Paul C; Brandsen, Benjamin M; Zhou, Cong; Li, Xinyi; Silverman, Scott K

    2017-01-11

    We describe an unprecedented DNA-catalyzed DNA cleavage process in which a radical-based reaction pathway cleanly results in excision of most atoms of a specific guanosine nucleoside. Two new deoxyribozymes (DNA enzymes) were identified by in vitro selection from N 40 or N 100 random pools initially seeking amide bond hydrolysis, although they both cleave simple single-stranded DNA oligonucleotides. Each deoxyribozyme generates both superoxide (O 2 -• or HOO • ) and hydrogen peroxide (H 2 O 2 ) and leads to the same set of products (3'-phosphoglycolate, 5'-phosphate, and base propenal) as formed by the natural product bleomycin, with product assignments by mass spectrometry and colorimetric assay. We infer the same mechanistic pathway, involving formation of the C4' radical of the guanosine nucleoside that is subsequently excised. Consistent with a radical pathway, glutathione fully suppresses catalysis. Conversely, adding either superoxide or H 2 O 2 from the outset strongly enhances catalysis. The mechanism of generation and involvement of superoxide and H 2 O 2 by the deoxyribozymes is not yet defined. The deoxyribozymes do not require redox-active metal ions and function with a combination of Zn 2+ and Mg 2+ , although including Mn 2+ increases the activity, and Mn 2+ alone also supports catalysis. In contrast to all of these observations, unrelated DNA-catalyzed radical DNA cleavage reactions require redox-active metals and lead to mixtures of products. This study reports an intriguing example of a well-defined, DNA-catalyzed, radical reaction process that cleaves single-stranded DNA and requires only redox-inactive metal ions.

  6. A comparison between decomposition rates of buried and surface remains in a temperate region of South Africa.

    PubMed

    Marais-Werner, Anátulie; Myburgh, J; Becker, P J; Steyn, M

    2018-01-01

    Several studies have been conducted on decomposition patterns and rates of surface remains; however, much less are known about this process for buried remains. Understanding the process of decomposition in buried remains is extremely important and aids in criminal investigations, especially when attempting to estimate the post mortem interval (PMI). The aim of this study was to compare the rates of decomposition between buried and surface remains. For this purpose, 25 pigs (Sus scrofa; 45-80 kg) were buried and excavated at different post mortem intervals (7, 14, 33, 92, and 183 days). The observed total body scores were then compared to those of surface remains decomposing at the same location. Stages of decomposition were scored according to separate categories for different anatomical regions based on standardised methods. Variation in the degree of decomposition was considerable especially with the buried 7-day interval pigs that displayed different degrees of discolouration in the lower abdomen and trunk. At 14 and 33 days, buried pigs displayed features commonly associated with the early stages of decomposition, but with less variation. A state of advanced decomposition was reached where little change was observed in the next ±90-183 days after interment. Although the patterns of decomposition for buried and surface remains were very similar, the rates differed considerably. Based on the observations made in this study, guidelines for the estimation of PMI are proposed. This pertains to buried remains found at a depth of approximately 0.75 m in the Central Highveld of South Africa.

  7. Readily Accessible and Highly Efficient Ferrocene-Based Amino-Phosphine-Alcohol (f-Amphol) Ligands for Iridium-Catalyzed Asymmetric Hydrogenation of Simple Ketones.

    PubMed

    Yu, Jianfei; Duan, Meng; Wu, Weilong; Qi, Xiaotian; Xue, Peng; Lan, Yu; Dong, Xiu-Qin; Zhang, Xumu

    2017-01-18

    We have successfully developed a series of novel and modular ferrorence-based amino-phosphine-alcohol (f-Amphol) ligands, and applied them to iridium-catalyzed asymmetric hydrogenation of various simple ketones to afford the corresponding chiral alcohols with excellent enantioselectivities and conversions (98-99.9 % ee, >99 % conversion, turnover number up to 200 000). Control experiments and density functional theory (DFT) calculations have shown that the hydroxyl group of our f-Amphol ligands played a key role in this asymmetric hydrogenation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Catalytic and inhibiting effects of lithium peroxide and hydroxide on sodium chlorate decomposition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cannon, J.C.; Zhang, Y.

    1995-09-01

    Chemical oxygen generators based on sodium chlorate and lithium perchlorate are used in airplanes, submarines, diving, and mine rescue. Catalytic decomposition of sodium chlorate in the presence of cobalt oxide, lithium peroxide, and lithium hydroxide is studied using thermal gravimetric analysis. Lithium peroxide and hydroxide are both moderately active catalysts for the decomposition of sodium chlorate when used alone, and inhibitors when used with the more active catalyst cobalt oxide.

  9. Thermal decomposition of nano-enabled thermoplastics: Possible environmental health and safety implications

    PubMed Central

    Sotiriou, Georgios A.; Singh, Dilpreet; Zhang, Fang; Chalbot, Marie-Cecile G.; Spielman-Sun, Eleanor; Hoering, Lutz; Kavouras, Ilias G.; Lowry, Gregory V.; Wohlleben, Wendel; Demokritou, Philip

    2015-01-01

    Nano-enabled products (NEPs) are currently part of our life prompting for detailed investigation of potential nano-release across their life-cycle. Particularly interesting is their end-of-life thermal decomposition scenario. Here, we examine the thermal decomposition of a widely used NEP, namely thermoplastic nanocomposites, and assess the properties of the byproducts (released aerosol and residual ash) and possible environmental health and safety implications. We focus on establishing a fundamental understanding on the effect of thermal decomposition parameters, such as polymer matrix, nanofiller properties, decomposition temperature, on the properties of byproducts using a recently-developed lab-based experimental integrated platform. Our results indicate that thermoplastic polymer matrix strongly influences size and morphology of released aerosol, while there was minimal but detectable nano-release, especially when inorganic nanofillers were used. The chemical composition of the released aerosol was found not to be strongly influenced by the presence of nanofiller at least for the low, industry-relevant loadings assessed here. Furthermore, the morphology and composition of residual ash was found to be strongly influenced by the presence of nanofiller. The findings presented here on thermal decomposition/incineration of NEPs raise important questions and concerns regarding the potential fate and transport of released engineered nanomaterials in environmental media and potential environmental health and safety implications. PMID:26642449

  10. Thermal decomposition of ammonium hexachloroosmate.

    PubMed

    Asanova, T I; Kantor, I; Asanov, I P; Korenev, S V; Yusenko, K V

    2016-12-07

    Structural changes of (NH 4 ) 2 [OsCl 6 ] occurring during thermal decomposition in a reduction atmosphere have been studied in situ using combined energy-dispersive X-ray absorption spectroscopy (ED-XAFS) and powder X-ray diffraction (PXRD). According to PXRD, (NH 4 ) 2 [OsCl 6 ] transforms directly to metallic Os without the formation of any crystalline intermediates but through a plateau where no reactions occur. XANES and EXAFS data by means of Multivariate Curve Resolution (MCR) analysis show that thermal decomposition occurs with the formation of an amorphous intermediate {OsCl 4 } x with a possible polymeric structure. Being revealed for the first time the intermediate was subjected to determine the local atomic structure around osmium. The thermal decomposition of hexachloroosmate is much more complex and occurs within a minimum two-step process, which has never been observed before.

  11. Conductimetric determination of decomposition of silicate melts

    NASA Technical Reports Server (NTRS)

    Kroeger, C.; Lieck, K.

    1986-01-01

    A description of a procedure is given to detect decomposition of silicate systems in the liquid state by conductivity measurements. Onset of decomposition can be determined from the temperature curves of resistances measured on two pairs of electrodes, one above the other. Degree of decomposition can be estimated from temperature and concentration dependency of conductivity of phase boundaries. This procedure was tested with systems PbO-B2O3 and PbO-B2O3-SiO2.

  12. Myoglobin-Catalyzed Olefination of Aldehydes.

    PubMed

    Tyagi, Vikas; Fasan, Rudi

    2016-02-12

    The olefination of aldehydes constitutes a most valuable and widely adopted strategy for constructing carbon-carbon double bonds in organic chemistry. While various synthetic methods have been made available for this purpose, no biocatalysts are known to mediate this transformation. Reported herein is that engineered myoglobin variants can catalyze the olefination of aldehydes in the presence of α-diazoesters with high catalytic efficiency (up to 4,900 turnovers) and excellent E diastereoselectivity (92-99.9 % de). This transformation could be applied to the olefination of a variety of substituted benzaldehydes and heteroaromatic aldehydes, also in combination with different alkyl α-diazoacetate reagents. This work provides a first example of biocatalytic aldehyde olefination and extends the spectrum of synthetically valuable chemical transformations accessible using metalloprotein-based catalysts. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Kinetic and mechanistic studies of base-catalyzed phenylselenoetherification of (Z)- and (E)-hex-4-en-1-ols.

    PubMed

    Divac, Vera M; Puchta, Ralph; Bugarčić, Zorica M

    2012-08-02

    The mechanism of phenylselenoetherification of (Z)- and (E)-hex-4-en-1-ols using some bases (triethylamine, pyridine, quinoline, 2,2'-bipyridine) as catalysts and some solvents [tetrahydrofuran (THF) and CCl4] as reaction media was examined through studies of kinetics of the cyclization by UV-vis spectrophotometry. It was demonstrated that the intramolecular cyclization is facilitated in the presence of bases as a result of the hydrogen bond between the base and the alkenol's OH group. The rate constants in the base-catalyzed reactions are remarkably influenced by the bulkiness and basicity of the base used and the nature of the considered nitrogen donors. The obtained values for rate constants show that the reaction with triethylamine is the fastest one. THF with higher polarity and higher basic character is better as a solvent than CCl4. Quantum-chemical calculations [MP2(fc)/6-311+G**//B3LYP/6-311+G** + ZPE(B3LYP/6-311+G**] show that the cyclization of (Z)-hex-4-en-1-ol to a tetrahydrofuranoid five-membered ring is kinetically controlled, while the cyclization of (E)-hex-4-en-1-ol to the tetrahydropyranoid six-membered ring is thermodynamically controlled. This is in accordance with previous experimental findings.

  14. Aridity and decomposition processes in complex landscapes

    NASA Astrophysics Data System (ADS)

    Ossola, Alessandro; Nyman, Petter

    2015-04-01

    Decomposition of organic matter is a key biogeochemical process contributing to nutrient cycles, carbon fluxes and soil development. The activity of decomposers depends on microclimate, with temperature and rainfall being major drivers. In complex terrain the fine-scale variation in microclimate (and hence water availability) as a result of slope orientation is caused by differences in incoming radiation and surface temperature. Aridity, measured as the long-term balance between net radiation and rainfall, is a metric that can be used to represent variations in water availability within the landscape. Since aridity metrics can be obtained at fine spatial scales, they could theoretically be used to investigate how decomposition processes vary across complex landscapes. In this study, four research sites were selected in tall open sclerophyll forest along a aridity gradient (Budyko dryness index ranging from 1.56 -2.22) where microclimate, litter moisture and soil moisture were monitored continuously for one year. Litter bags were packed to estimate decomposition rates (k) using leaves of a tree species not present in the study area (Eucalyptus globulus) in order to avoid home-field advantage effects. Litter mass loss was measured to assess the activity of macro-decomposers (6mm litter bag mesh size), meso-decomposers (1 mm mesh), microbes above-ground (0.2 mm mesh) and microbes below-ground (2 cm depth, 0.2 mm mesh). Four replicates for each set of bags were installed at each site and bags were collected at 1, 2, 4, 7 and 12 months since installation. We first tested whether differences in microclimate due to slope orientation have significant effects on decomposition processes. Then the dryness index was related to decomposition rates to evaluate if small-scale variation in decomposition can be predicted using readily available information on rainfall and radiation. Decomposition rates (k), calculated fitting single pool negative exponential models, generally

  15. Plant Identity Influences Decomposition through More Than One Mechanism

    PubMed Central

    McLaren, Jennie R.; Turkington, Roy

    2011-01-01

    Plant litter decomposition is a critical ecosystem process representing a major pathway for carbon flux, but little is known about how it is affected by changes in plant composition and diversity. Single plant functional groups (graminoids, legumes, non-leguminous forbs) were removed from a grassland in northern Canada to examine the impacts of functional group identity on decomposition. Removals were conducted within two different environmental contexts (fertilization and fungicide application) to examine the context-dependency of these identity effects. We examined two different mechanisms by which the loss of plant functional groups may impact decomposition: effects of the living plant community on the decomposition microenvironment, and changes in the species composition of the decomposing litter, as well as the interaction between these mechanisms. We show that the identity of the plant functional group removed affects decomposition through both mechanisms. Removal of both graminoids and forbs slowed decomposition through changes in the decomposition microenvironment. We found non-additive effects of litter mixing, with both the direction and identity of the functional group responsible depending on year; in 2004 graminoids positively influenced decomposition whereas in 2006 forbs negatively influenced decomposition rate. Although these two mechanisms act independently, their effects may be additive if both mechanisms are considered simultaneously. It is essential to understand the variety of mechanisms through which even a single ecosystem property is affected if we are to predict the future consequences of biodiversity loss. PMID:21858210

  16. Traits drive global wood decomposition rates more than climate.

    PubMed

    Hu, Zhenhong; Michaletz, Sean T; Johnson, Daniel J; McDowell, Nate G; Huang, Zhiqun; Zhou, Xuhui; Xu, Chonggang

    2018-06-14

    Wood decomposition is a major component of the global carbon cycle. Decomposition rates vary across climate gradients, which is thought to reflect the effects of temperature and moisture on the metabolic kinetics of decomposers. However, decomposition rates also vary with wood traits, which may reflect the influence of stoichiometry on decomposer metabolism as well as geometry relating the surface areas that decomposers colonize with the volumes they consume. In this paper, we combined metabolic and geometric scaling theories to formalize hypotheses regarding the drivers of wood decomposition rates, and assessed these hypotheses using a global compilation of data on climate, wood traits, and wood decomposition rates. Our results are consistent with predictions from both metabolic and geometric scaling theories. Approximately half of the global variation in decomposition rates was explained by wood traits (nitrogen content and diameter), while only a fifth was explained by climate variables (air temperature, precipitation, and relative humidity). These results indicate that global variation in wood decomposition rates is best explained by stoichiometric and geometric wood traits. Our findings suggest that inclusion of wood traits in global carbon cycle models can improve predictions of carbon fluxes from wood decomposition. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  17. Dynamic Load Balancing Based on Constrained K-D Tree Decomposition for Parallel Particle Tracing

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Jiang; Guo, Hanqi; Yuan, Xiaoru

    Particle tracing is a fundamental technique in flow field data visualization. In this work, we present a novel dynamic load balancing method for parallel particle tracing. Specifically, we employ a constrained k-d tree decomposition approach to dynamically redistribute tasks among processes. Each process is initially assigned a regularly partitioned block along with duplicated ghost layer under the memory limit. During particle tracing, the k-d tree decomposition is dynamically performed by constraining the cutting planes in the overlap range of duplicated data. This ensures that each process is reassigned particles as even as possible, and on the other hand the newmore » assigned particles for a process always locate in its block. Result shows good load balance and high efficiency of our method.« less

  18. Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation

    PubMed Central

    Serganov, Alexander; Keiper, Sonja; Malinina, Lucy; Tereshko, Valentina; Skripkin, Eugene; Höbartner, Claudia; Polonskaia, Anna; Phan, Anh Tuân; Wombacher, Richard; Micura, Ronald; Dauter, Zbigniew; Jäschke, Andres; Patel, Dinshaw J

    2015-01-01

    The majority of structural efforts addressing RNA’s catalytic function have focused on natural ribozymes, which catalyze phosphodiester transfer reactions. By contrast, little is known about how RNA catalyzes other types of chemical reactions. We report here the crystal structures of a ribozyme that catalyzes enantioselective carbon-carbon bond formation by the Diels-Alder reaction in the unbound state and in complex with a reaction product. The RNA adopts a λ-shaped nested pseudoknot architecture whose preformed hydrophobic pocket is precisely complementary in shape to the reaction product. RNA folding and product binding are dictated by extensive stacking and hydrogen bonding, whereas stereoselection is governed by the shape of the catalytic pocket. Catalysis is apparently achieved by a combination of proximity, complementarity and electronic effects. We observe structural parallels in the independently evolved catalytic pocket architectures for ribozyme- and antibody-catalyzed Diels-Alder carbon-carbon bond-forming reactions. PMID:15723077

  19. Better Decomposition Heuristics for the Maximum-Weight Connected Graph Problem Using Betweenness Centrality

    NASA Astrophysics Data System (ADS)

    Yamamoto, Takanori; Bannai, Hideo; Nagasaki, Masao; Miyano, Satoru

    We present new decomposition heuristics for finding the optimal solution for the maximum-weight connected graph problem, which is known to be NP-hard. Previous optimal algorithms for solving the problem decompose the input graph into subgraphs using heuristics based on node degree. We propose new heuristics based on betweenness centrality measures, and show through computational experiments that our new heuristics tend to reduce the number of subgraphs in the decomposition, and therefore could lead to the reduction in computational time for finding the optimal solution. The method is further applied to analysis of biological pathway data.

  20. Computer implemented empirical mode decomposition method, apparatus and article of manufacture

    NASA Technical Reports Server (NTRS)

    Huang, Norden E. (Inventor)

    1999-01-01

    A computer implemented physical signal analysis method is invented. This method includes two essential steps and the associated presentation techniques of the results. All the steps exist only in a computer: there are no analytic expressions resulting from the method. The first step is a computer implemented Empirical Mode Decomposition to extract a collection of Intrinsic Mode Functions (IMF) from nonlinear, nonstationary physical signals. The decomposition is based on the direct extraction of the energy associated with various intrinsic time scales in the physical signal. Expressed in the IMF's, they have well-behaved Hilbert Transforms from which instantaneous frequencies can be calculated. The second step is the Hilbert Transform. The final result is the Hilbert Spectrum. Thus, the invention can localize any event on the time as well as the frequency axis. The decomposition can also be viewed as an expansion of the data in terms of the IMF's. Then, these IMF's, based on and derived from the data, can serve as the basis of that expansion. The local energy and the instantaneous frequency derived from the IMF's through the Hilbert transform give a full energy-frequency-time distribution of the data which is designated as the Hilbert Spectrum.