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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. Environmental assessment of the base catalyzed decomposition (BCD) process. Research report, June--July 1998

    SciTech Connect

    1998-08-01

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

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

    SciTech Connect

    Schmidt, A.J.; Freeman, H.D.; Brown, M.D.; Zacher, A.H.; Neuenschwander, G.N.; Wilcox, W.A.; Gano, S.R.; Kim, B.C.; Gavaskar, A.R.

    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 to 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.

  5. 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. PMID:21571422

  6. Base catalyzed decomposition of toxic and hazardous chemicals. [Final report, September 4, 1990--September 30, 1991

    SciTech Connect

    Rogers, C.J.; Kornel, A.; Sparks, H.L.

    1991-12-31

    There are vast amounts of toxic and hazardous chemicals, which have pervaded our environment during the past fifty years, leaving us with serious, crucial problems of remediation and disposal. The accumulation of polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins (PCDDs), ``dioxins`` and pesticides in soil sediments and living systems is a serious problem that is receiving considerable attention concerning the cancer-causing nature of these synthetic compounds.US EPA scientists developed in 1989 and 1990 two novel chemical Processes to effect the dehalogenation of chlorinated solvents, PCBs, PCDDs, PCDFs, PCP and other pollutants in soil, sludge, sediment and liquids. This improved technology employs hydrogen as a nucleophile to replace halogens on halogenated compounds. Hydrogen as nucleophile is not influenced by steric hinderance as with other nucleophile where complete dehalogenation of organohalogens can be achieved. This report discusses catalyzed decomposition of toxic and hazardous chemicals.

  7. 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...

  8. Biologically-assisted hydrogen production: attempts at optimizing the use of polymeric viologen mediators in a bioreactor based on the hydrogenase-catalyzed decomposition of dithionite

    SciTech Connect

    Williams, R.W.; Toye, B.W.; Martin, S.M.

    1981-01-01

    A small scale hydrogen-producing bioreactor has been assembled. It is based on the hydrogenase-catalyzed decomposition of sodium dithionite as mediated by a polymeric viologen. Optimization of the conditions for producing a crude, cell-free extract of hydrogenase from Clostridium pasteurianum has been investigated. Using the results obtained, a larger laboratory-scale hydrogen generator has been assembled which was shown to yield sustained hydrogen production. Incorporation of a waste-removal system into the unit was also investigated. 8 refs.

  9. Kinetic modeling of Pt-catalyzed glycolaldehyde decomposition to syngas.

    PubMed

    Salciccioli, Michael; Vlachos, Dionisios G

    2012-05-10

    Fundamental knowledge of the elementary reaction mechanisms involved in oxygenate decomposition on transition metal catalysts can facilitate the optimization of future catalyst and reactor systems for biomass upgrade to fuels and chemicals. Pt-catalyzed decomposition of glycolaldehyde, as the smallest oxygenate with alcohol and aldehyde functionality, was studied via a DFT-based microkinetic model. It was found that two decomposition pathways exist. Under conditions of low hydrogen surface coverage, the initial C-H bond breaking reaction to HOCH(2)CO* is prevalent, while under conditions of high hydrogen coverage, the rather unexpected O-H bond forming reaction to HOCH(2)CHOH* is more active (subsequent decomposition is energetically favorable from HOCH(2)CHOH*). Our results indicate the possibility that (de)hydrogenation chemistry is rate-controlling in many small polyoxygenate biomass derivatives, and suitable catalysts are needed. Finally, DFT was used to understand the increased decomposition activity observed on the surface segregated Ni-Pt-Pt bimetallic catalyst. It was found that the initial O-H bond breaking of glycolaldehyde to OCH(2)CHO* has an activation barrier of just 0.21 eV. This barrier is lower than that of any glycolaldehyde consuming reaction on Pt. These computational predictions are in qualitative agreement with experimental results. PMID:22483365

  10. Decomposition of peracetic acid catalyzed by vanadium complexes

    SciTech Connect

    Makarov, A.P.; Gekhman, A.E.; Moiseev, I.I.; Polotryuk, O.Y.

    1986-02-01

    This paper studies the decomposition of peracetic acid (AcOOH) in acetic acid (AcOH) catalyzed by vanadium complexes. It is shown that peractic acid in acetic acid solutions of ammonium anadate decomposes with the predominant formation of 0/sub 2/ and small amounts of CO/sub 2/, the yield of which increases with increasing temperature and peracetic acid concentration. Both reactions proceed without the formation of free radicals in amounts detectable by ESR spectroscopy. The rate of oxygen release under conditions in which the formation of CO/sub 2/ is insignificant obeys a kinetic equation indicating the intermediate formation of a complex between V/sup 5 +/ ions and peracetic acid and the slow conversion of this complex into the observed products.

  11. 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.

  12. Oxidative decomposition of formaldehyde catalyzed by a bituminous coal

    SciTech Connect

    Haim Cohen; Uri Green

    2009-05-15

    It has been observed that molecular hydrogen is formed during long-term storage of bituminous coals via oxidative decomposition of formaldehyde by coal surface peroxides. This study has investigated the effects of coal quantity, temperature, and water content on the molecular hydrogen formation with a typical American coal (Pittsburgh No. 6). The results indicate that the coal's surface serves as a catalyst in the formation processes of molecular hydrogen. Furthermore, the results also indicate that low temperature emission of molecular hydrogen may possibly be the cause of unexplained explosions in confined spaces containing bituminous coals, for example, underground mines or ship holds. 20 refs., 4 figs., 6 tabs.

  13. Application of the base catalyzed decomposition process to treatment of PCB-contaminated insulation and other materials associated with US Navy vessels. Final report

    SciTech Connect

    Schmidt, A.J.; Zacher, A.H.; Gano, S.R.

    1996-09-01

    The BCD process was applied to dechlorination of two types of PCB-contaminated materials generated from Navy vessel decommissioning activities at Puget Sound Naval Shipyard: insulation of wool felt impregnated with PCB, and PCB-containing paint chips/debris from removal of paint from metal surfaces. The BCD process is a two-stage, low-temperature chemical dehalogenation process. In Stage 1, the materials are mixed with sodium bicarbonate and heated to 350 C. The volatilized halogenated contaminants (eg, PCBs, dioxins, furans), which are collected in a small volume of particulates and granular activated carbon, are decomposed by the liquid-phase reaction (Stage 2) in a stirred-tank reactor, using a high-boiling-point hydrocarbon oil as the reaction medium, with addition of a hydrogen donor, a base (NaOH), and a catalyst. The tests showed that treating wool felt insulation and paint chip wastes with Stage 2 on a large scale is feasible, but compared with current disposal costs for PCB-contaminated materials, using Stage 2 would not be economical at this time. For paint chips generated from shot/sand blasting, the solid-phase BCD process (Stage 1) should be considered, if paint removal activities are accelerated in the future.

  14. 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…

  15. 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 ...

  16. Anatase-brookite mixed phase nano TiO2 catalyzed homolytic decomposition of ammonium nitrate.

    PubMed

    Vargeese, Anuj A; Muralidharan, Krishnamurthi

    2011-09-15

    Compared to the conventional ammonium perchlorate based solid rocket propellants, burning of ammonium nitrate (AN) based propellants produce environmentally innocuous combustion gases. Application of AN as propellant oxidizer is restricted due to low reactivity and low energetics besides its near room temperature polymorphic phase transition. In the present study, anatase-brookite mixed phase TiO(2) nanoparticles (~ 10 nm) are synthesized and used as catalyst to enhance the reactivity of the environmental friendly propellant oxidizer ammonium nitrate. The activation energy required for the decomposition reactions, computed by differential and non-linear integral isoconversional methods are used to establish the catalytic activity. Presumably, the removal of NH(3) and H(2)O, known inhibitors of ammonium nitrate decomposition reaction, due to the surface reactions on active surface of TiO(2) changes the decomposition pathway and thereby the reactivity. PMID:21742435

  17. Theoretical investigations on decomposition of HCOOH catalyzed by Pd7 cluster.

    PubMed

    Li, Song Ju; Zhou, Xin; Tian, Wei Quan

    2012-11-29

    Density functional theory based calculations have been performed to investigate decomposition of HCOOH on a Pd(7) cluster in vacuum and solution. The adsorption of HCOOH on Pd(7) cluster occurs on a layer-by-layer quasi-planar conformation of Pd(7) with 4 atoms on top and 3 atoms below. Possible reaction pathways for the decomposition of HCOOH adsorbed on Pd(7) cluster in vacuum and solution are located and compared in terms of the reaction enengies and barriers. Formic acid prefers to decompose through dehydrogenation rather than dehydrate under the significant effect of solvent. The toxic species, CO generated on Pt surface, could not possibly appear in the catalytic decomposition of formic acid on Pd(7) cluster due to high reaction barrier, thus no poisoning of catalyst would occur on Pd surface. The Pd(7) cluster model rationalizes experimental observation, and the predictions are in good agreement with the ones based on the surface model. PMID:23102058

  18. 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…

  19. 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.

  20. Copper Catalyzed Sodium Tetraphenylborate, Triphenylborane, Diphenylborinic Acid and Phenylboronic Acid Decomposition Kinetic Studies in Aqueous Alkaline Solutions

    SciTech Connect

    Crawford, C.L.

    1999-03-15

    This work studied the kinetics of copper-catalyzed decomposition of tetraphenylborate, triphenylborane, diphenylborinic acid and phenylboronic acid (NaTPB, 3PB, 2PB and 1PB, respectively) in aqueous alkaline solution over the temperature range of 25 to 70 degrees C. The statistically designed test matrices added copper sulfate to maximum concentrations of 10 mg/L. The relative rates of decomposition increase in the order of NaTPB < 1PB {tilde} 3PB < 2PB. Dependence of decomposition on the amount of added copper increases in the order of 3PB {tilde} 2PB < 1PB {tilde} NaTPB. Activation energies ranged from 82 to 143 kJ/mole over the temperature range studied. Final decomposition products predominately involved benzene and phenol. All 3PB, 2PB and 1PB intermediate phenylborate species proved relatively stable (< 8 percent decomposition over {tilde} 500 h) towards thermal hydrolysis in 1.5 M NaOH when contained in carbon-steel vessels sealed under air at ambient temperature (23 - 25 degrees C) with no added copper. Measurable (> 10-7 Mh-1) thermal hydrolysis of the phenylborate species occurs at 55 to 70 degrees C in alkaline (0.6-2.3 M OH-, 2-4.7 M Na+) solution with no added copper. The experiments suggest an important role for oxygen in copper-catalyzed phenylborate decomposition. NaTPB decomposes promptly under anoxic conditions while 3PB, 2PB and 1PB decompose faster in aerobic solutions. Benzene and phenol form as the predominant end-products from alkaline copper catalysis in static systems sealed under air. Both 2PB and 1PB decompose with near equal rates and quantitatively produce phenol under flowing air-purge conditions at 25 to 60 degrees C. Mechanisms for copper-catalyzed phenylborate decomposition likely involve a redox process giving loss of a phenyl group from the phenylborate with reduction of cupric ion, or dephenylation by reduced cuprous ion involving a phenylated copper intermediate.

  1. 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

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

    SciTech Connect

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

    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 decomposition 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.

  3. 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

  4. 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...

  5. The Role of Oxygen in the Copper-Catalyzed Decomposition of Phenylborates in Aqueous Alkaline Solutions

    SciTech Connect

    Hyder, M.L.

    1997-03-17

    The effect of oxygen on the copper-catalyzed hydrolysis of phenyl borates containing from one to four phenyl groups was studied in 1 M aqueous sodium hydroxide solution at 59 degrees C. The results are tentatively explained if the effective catalyst for each of the reactions is either cupric or cuprous ion, with the latter being present in significant concentration only in the absence of air.

  6. 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. PMID:27010708

  7. 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.

  8. Overlapping Community Detection based on Network Decomposition

    PubMed Central

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

    2016-01-01

    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. PMID:27066904

  9. Overlapping Community Detection based on Network Decomposition.

    PubMed

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

    2016-01-01

    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. PMID:27066904

  10. 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.

  11. 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,…

  12. 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

  13. Evolution-Based Functional Decomposition of Proteins.

    PubMed

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

    2016-06-01

    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

  14. 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.

  15. Influence of the support on the structural characteristics of carbon nanofibers produced from the metal-catalyzed decomposition of ethylene

    SciTech Connect

    Anderson, P.E.; Rodriguez, N.M.

    2000-03-01

    The notion of using support materials to achieve high dispersions of metal particles has been extended to the synthesis of carbon nanofibers from the catalyzed decomposition of ethylene. By using this approach it has been possible to generate nanofibers whose widths are dictated by the dimensions of the supported metal particles. In addition, the support may alter the state of the bulk and/or the surface of the catalyst particle through metal-support interactions, and the impact of this effect is manifested by modifications in the structural characteristics of the nanofibers deposits. In an attempt to gain a clearer insight into the influence of metal-support interaction on the growth characteristics of GNF, three metals, FE,Ni, and Co that are known to be active catalysts for this process were impregnated onto silica, graphite, and well-characterized graphite nanofiber supports. Characterization of the solid carbon products was performed by a variety of approaches including high-resolution transmission electron microscopy (HRTEM), gas-phase analysis, and thermal-programmed oxidation (TPO). The goal of this study was to correlate each nanofiber product with the behavior of the specific metal/support precursor system. The advantages of using selected support materials to control the morphologies and sizes of nanofibers is present.

  16. 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…

  17. Base-Metal-Catalyzed Regiodivergent Alkene Hydrosilylations.

    PubMed

    Du, Xiaoyong; Zhang, Yanlu; Peng, Dongjie; Huang, Zheng

    2016-06-01

    A complementary set of base metal catalysts has been developed for regiodivergent alkene hydrosilylations: iron complexes of phosphine-iminopyridine are selective for anti-Markovnikov hydrosilylations (linear/branched up to >99:1), while the cobalt complexes bearing the same type of ligands provide an unprecedented high level of Markovnikov selectivity (branched/linear up to >99:1). Both systems exhibit high efficiency and wide functional group tolerance. PMID:27111001

  18. Sparse decomposition learning based dynamic MRI reconstruction

    NASA Astrophysics Data System (ADS)

    Zhu, Peifei; Zhang, Qieshi; Kamata, Sei-ichiro

    2015-02-01

    Dynamic MRI is widely used for many clinical exams but slow data acquisition becomes a serious problem. The application of Compressed Sensing (CS) demonstrated great potential to increase imaging speed. However, the performance of CS is largely depending on the sparsity of image sequence in the transform domain, where there are still a lot to be improved. In this work, the sparsity is exploited by proposed Sparse Decomposition Learning (SDL) algorithm, which is a combination of low-rank plus sparsity and Blind Compressed Sensing (BCS). With this decomposition, only sparsity component is modeled as a sparse linear combination of temporal basis functions. This enables coefficients to be sparser and remain more details of dynamic components comparing learning the whole images. A reconstruction is performed on the undersampled data where joint multicoil data consistency is enforced by combing Parallel Imaging (PI). The experimental results show the proposed methods decrease about 15~20% of Mean Square Error (MSE) compared to other existing methods.

  19. Base-Catalyzed Depolymerization of Lignin: Separation of Monomers

    SciTech Connect

    Vigneault, A.; Johnson, D. K.; Chornet, E.

    2007-12-01

    In our quest for fractionating lignocellulosic biomass and valorizing specific constitutive fractions, we have developed a strategy for the separation of 12 added value monomers generated during the hydrolytic based-catalyzed depolymerization of a Steam Exploded Aspen Lignin. The separation strategy combines liquid-liquid-extraction (LLE), followed by vacuum distillation, liquid chromatography (LC) and crystallization. LLE, vacuum distillation and flash LC were tested experimentally. Batch vacuum distillation produced up to 4 fractions. Process simulation confirmed that a series of 4 vacuum distillation columns could produce 5 distinct monomer streams, 3 of which require further chromatography and crystallization for purification.

  20. Embedding color watermarks in color images based on Schur decomposition

    NASA Astrophysics Data System (ADS)

    Su, Qingtang; Niu, Yugang; Liu, Xianxi; Zhu, Yu

    2012-04-01

    In this paper, a blind dual color image watermarking scheme based on Schur decomposition is introduced. This is the first time to use Schur decomposition to embed color image watermark in color host image, which is different from using the binary image as watermark. By analyzing the 4 × 4 unitary matrix U via Schur decomposition, we can find that there is a strong correlation between the second row first column element and the third row first column element. This property can be explored for embedding watermark and extracting watermark in the blind manner. Since Schur decomposition is an intermediate step in SVD decomposition, the proposed method requires less number of computations. Experimental results show that the proposed scheme is robust against most common attacks including JPEG lossy compression, JPEG 2000 compression, low-pass filtering, cropping, noise addition, blurring, rotation, scaling and sharpening et al. Moreover, the proposed algorithm outperforms the closely related SVD-based algorithm and the spatial-domain algorithm.

  1. Feature based volume decomposition for automatic hexahedral mesh generation

    SciTech Connect

    LU,YONG; GADH,RAJIT; TAUTGES,TIMOTHY J.

    2000-02-21

    Much progress has been made through these years to achieve automatic hexahedral mesh generation. While general meshing algorithms that can take on general geometry are not there yet; many well-proven automatic meshing algorithms now work on certain classes of geometry. This paper presents a feature based volume decomposition approach for automatic Hexahedral Mesh generation. In this approach, feature recognition techniques are introduced to determine decomposition features from a CAD model. The features are then decomposed and mapped with appropriate automatic meshing algorithms suitable for the correspondent geometry. Thus a formerly unmeshable CAD model may become meshable. The procedure of feature decomposition is recursive: sub-models are further decomposed until either they are matched with appropriate meshing algorithms or no more decomposition features are detected. The feature recognition methods employed are convexity based and use topology and geometry information, which is generally available in BREP solid models. The operations of volume decomposition are also detailed in the paper. The final section, the capability of the feature decomposer is demonstrated over some complicated manufactured parts.

  2. Thermally Induced And Base Catalyzed Reactions Of Naphthoquinone Diazides

    NASA Astrophysics Data System (ADS)

    Koshiba, Mitsunobu; Murata, Makoto; Matsui, Mariko; Harita, Yoshiyuki

    1988-01-01

    Thermally induced and base catalyzed reactions of a phenol ester of 1,2-naphthoquinone-diazide-5-sulfonic acid (DAM) with p-cresol were investigated. In total seven reaction products were obtained for the thermally induced reaction. The three major products, TR--F4, TR-F6 and TR-F7, were isolated and their structures were determined by means of several advanced spectroscopic techniques like Fourier transform nuclear magnetic resonance (FTNMR) and field desorption mass spectroscopy (FD-MS). Besides a cresol ester of indenecarboxylic acid (TR-F6) and an azo compound which contains two DAM originated moieties and cresol (TR-F7), the formation of a novel compound was found; a phenol ester of 2-cresyl-l-naphthol-5-sulfonic acid. On the other hand, four reaction products were found in the base (a 2.38wt% tetramethylammonium hydroxide aq. solution) catalyzed reaction products of DAM with p-cresol, and two major products, BC-Fl and BC-F3, which appeared at the initial stage of the reaction were isolated. The structure determination of the two major products was carried out in the same manner as described above. It was discovered that BC-Fl was a cresol ester of 1-naphthol while BC-F3 was an azoxy compound. Brief discussions will be made on those reactions of naphthoquinone diazides with a matrix novolak resin with reference to the results obtained by the present study.

  3. The general base in the thymidylate synthase catalyzed proton abstraction.

    PubMed

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

    2015-12-14

    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

  4. Image super-resolution based on image adaptive decomposition

    NASA Astrophysics Data System (ADS)

    Xie, Qiwei; Wang, Haiyan; Shen, Lijun; Chen, Xi; Han, Hua

    2011-11-01

    In this paper we propose an image super-resolution algorithm based on Gaussian Mixture Model (GMM) and a new adaptive image decomposition algorithm. The new image decomposition algorithm uses local extreme of image to extract the cartoon and oscillating part of image. In this paper, we first decompose an image into oscillating and piecewise smooth (cartoon) parts, then enlarge the cartoon part with interpolation. Because GMM accurately characterizes the oscillating part, we specify it as the prior distribution and then formulate the image super-resolution problem as a constrained optimization problem to acquire the enlarged texture part and finally we obtain a fine result.

  5. Thermal and electrochemical decomposition of lithium peroxide in non-catalyzed carbon cathodes for Li-air batteries.

    PubMed

    Beyer, H; Meini, S; Tsiouvaras, N; Piana, M; Gasteiger, H A

    2013-07-14

    The decomposition of lithium peroxide during the charging process of lithium-air batteries is investigated. A novel preparation method for electrodes in the discharged state, i.e., prefilled with Li2O2 using polyethylene oxide as a binder, is presented. The composition and reactivity of Li2O2-prefilled electrodes are examined by thermal analysis coupled with on-line mass spectrometry. Voltage profiles and gas evolution during the charging process of Li2O2-prefilled electrodes in battery cells are correlated with the thermal decomposition process of Li2O2 and its impact on other electrode compounds. It is found that both thermal Li2O2 decomposition and the electrochemical decomposition of Li2O2 during charging enhance the oxidation of the electrolyte, the binder, and/or carbon, which is suggested to be due to the formation of "nascent" oxygen during Li2O2 decomposition into O2 and Li2O (thermally) or into O2 and lithium ions (electrochemically). PMID:23715054

  6. Regiospecific base-catalyzed hydrogen exchange of triarylsulfonium salts

    SciTech Connect

    Chung, S.K.; Sasamoto, K.

    1981-10-23

    Solvent isotope labelling method has been used to show that the hydrocarbon products commonly observed in the reaction of triarylsulfonium salts with a number of alkoxide nucleophiles are derived via the radical intermediate rather than the corresponding anions. The results of the determination of the extent and scope of the base-catalyzed hydrogen exchange of the triarylsulfonium salts with the protic solvent medium are reported. No clear explanation for the observed regiospecificity of the hydrogen exchange in the salts is readily available. The enhanced thermodynamic acidity of the ortho hydrogen due to the inductive effect of the electron-withdrawing sulfonium and the dipole stabilization of the corresponding carbanionic species are suggested as explanations for the regiospecific deprotonation of the ortho hydrogen in the triarylsulfonium salts. (BLM)

  7. Gesture Based Control and EMG Decomposition

    NASA Technical Reports Server (NTRS)

    Wheeler, Kevin R.; Chang, Mindy H.; Knuth, Kevin H.

    2005-01-01

    This paper presents two probabilistic developments for use with Electromyograms (EMG). First described is a new-electric interface for virtual device control based on gesture recognition. The second development is a Bayesian method for decomposing EMG into individual motor unit action potentials. This more complex technique will then allow for higher resolution in separating muscle groups for gesture recognition. All examples presented rely upon sampling EMG data from a subject's forearm. The gesture based recognition uses pattern recognition software that has been trained to identify gestures from among a given set of gestures. The pattern recognition software consists of hidden Markov models which are used to recognize the gestures as they are being performed in real-time from moving averages of EMG. Two experiments were conducted to examine the feasibility of this interface technology. The first replicated a virtual joystick interface, and the second replicated a keyboard. Moving averages of EMG do not provide easy distinction between fine muscle groups. To better distinguish between different fine motor skill muscle groups we present a Bayesian algorithm to separate surface EMG into representative motor unit action potentials. The algorithm is based upon differential Variable Component Analysis (dVCA) [l], [2] which was originally developed for Electroencephalograms. The algorithm uses a simple forward model representing a mixture of motor unit action potentials as seen across multiple channels. The parameters of this model are iteratively optimized for each component. Results are presented on both synthetic and experimental EMG data. The synthetic case has additive white noise and is compared with known components. The experimental EMG data was obtained using a custom linear electrode array designed for this study.

  8. Modeling of Tumor Growth Based on Adomian Decomposition Method

    NASA Astrophysics Data System (ADS)

    Mahiddin, Norhasimah; Ali, Siti Aishah Hashim

    2008-01-01

    Modeling of a growing tumor over time is extremely difficult. This is due to the complex biological phenomena underlying cancer growth. Existing models mostly based on numerical methods and could describe spherically-shaped avascular tumors but they cannot match the highly heterogeneous and complex shaped tumors seen in cancer patients. We propose a new technique based on decomposition method to solve analytically cancer model.

  9. Decomposition of Perfluorocompounds on Alumina-Based Catalyst

    SciTech Connect

    Kanno, Shuichi; Tamata, Shin; Kurokawa, Hideaki

    2004-03-31

    The control of the atmospheric release of PFCs (perfluorocompounds) is an important environmental problem worldwide. PFCs are powerful greenhouse gases used by the semiconductor and liquid crystal industries as etching and cleaning agents. We developed a catalyst that decomposes PFCs with only water. Al2O3 was selected from the survey of some single metal-oxide catalysts. Addition of another metal-oxide improved the decomposition ratio and durability. The Al2O3-based catalyst decomposed CF4, C2F6, C3F8, C4F8, NF3 and SF6 by more than 99% at 750 degrees Celsius. Furthermore, our catalyst retained a high decomposition ratio as demonstrated by a continuous run for about 4000 hours at 700-750 degrees Celsius. The influence of chlorine as an impurity with regard to the SF6 decomposition ratio on the catalyst was examined. SF6 was decomposed at more than 99% during 8 hours in the presence of 400 ppm chlorine. Chlorine concentration in the outlet gas was less than TLV. No chlorine compounds were found by X-ray diffraction analysis of the used catalyst. That is, the hydrogenation of chlorine did not inhibit the surface catalytic reaction for PFC. Also, CF4 was decomposed at the condition of 1.4% of high concentration. The conversion remained higher than 99% throughout during a durability test. Furthermore, we investigated a large-scale decomposition system in the paper.

  10. Synthesis of Spiro Ketals, Orthoesters, and Orthocarbonates by CpRu-Catalyzed Decomposition of α-Diazo-β-ketoesters.

    PubMed

    Tortoreto, Cecilia; Achard, Thierry; Egger, Léo; Guénée, Laure; Lacour, Jérôme

    2016-01-15

    Reactions of α-diazo-β-ketoesters with cyclic ketones, lactones, and carbonates are reported. Thanks to the combined use of salt [CpRu(CH3CN)3][BArF] and 1,10-phenanthroline as catalyst for the diazo decomposition, effective and practical syntheses of spiro bicyclic ketals, orthoesters, and orthocarbonates are afforded. PMID:26709440

  11. 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

  12. Iterative filtering decomposition based on local spectral evolution kernel.

    PubMed

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

    2012-03-01

    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

  13. Motion Mode Decomposition Based on Discrete Fourier Series Expansion

    NASA Astrophysics Data System (ADS)

    Hatta, Yoshiyuki; Shimono, Tomoyuki

    In recent years, several methods for decomposing the whole motion of a parallel multi-degrees-of-freedom (MDOF) system into motion modes have been proposed. A motion mode is a motion element that corresponds to a specific physical action, such as grasping, manipulating, and rotating. Modal decomposition is effective for the expression and analysis of a complicated motion. However, conventional methods can extract motion modes only if the arrangement of actuators in the system has spatial linearity and symmetry. Therefore, the actuators cannot be arranged arbitrarily when the conventional methods are applied. In order to solve this problem, a novel method for modal decomposition is proposed; this method is based on the discrete Fourier series expansion. The proposed method is applied to a parallel MDOF bilateral system in which the arrangement of actuators is spatially asymmetric. Finally, the validity of the proposed method is confirmed on the basis of the experimental results.

  14. Process Intensification in Base-Catalyzed Biodiesel Production

    SciTech Connect

    McFarlane, Joanna; Birdwell Jr, Joseph F; Tsouris, Costas; Jennings, Hal L

    2008-01-01

    Biodiesel is considered a means to diversify our supply of transportation fuel, addressing the goal of reducing our dependence on oil. Recent interest has resulted in biodiesel manufacture becoming more widely undertaken by commercial enterprises that are interested in minimizing the cost of feedstock materials and waste production, as well as maximizing the efficiency of production. Various means to accelerate batch processing have been investigated. Oak Ridge National Laboratory has experience in developing process intensification methods for nuclear separations, and this paper will discuss how technologies developed for very different applications have been modified for continuous reaction/separation of biodiesel. In collaboration with an industrial partner, this work addresses the aspect of base-catalyzed biodiesel production that limits it to a slow batch process. In particular, we have found that interfacial mass transfer and phase separation control the transesterification process and have developed a continuous two-phase reactor for online production of a methyl ester and glycerol. Enhancing the mass transfer has additional benefits such as being able to use an alcohol-to-oil phase ratio closer to stoichiometric than in conventional processing, hence minimizing the amount of solvent that has to be recycled and reducing post-processing clean up costs. Various technical issues associated with the application of process intensification technology will be discussed, including scale-up from the laboratory to a pilot-scale undertaking.

  15. Polysilsesquioxanes through base-catalyzed redistribution of oligohydridosiloxanes

    SciTech Connect

    RAHIMIAN,KAMYAR; ASSINK,ROGER A.; LANG,DAVID P.; LOY,DOUGLAS A.

    2000-05-01

    Organopolysilsesquioxanes have recently gained much interest as materials for low-K dielectrics, ceramic precursors and photoresists. Typical sol-gel synthesis of polysilsesquioxanes involves the hydrolysis of organotricholorosilanes and/or organotrialkoxysilanes in the presence of acid or base catalysts and organic solvents. However, under sol-gel conditions most organotrialkoxysilanes do not afford silsesquioxane gels. This limits the range of organic functionalities that can be introduced into these hybrid organic-inorganic materials. An alternative route to polysilsesquioxanes is through oligohydridosiloxanes. Catalytic disproportionation, by titanium complexes, of linear or cyclic oligomers of methylhydridosiloxanes can lead to polymethylsilsesquioxanes. The authors have shown that disproportionation of oligomethylhydridosiloxanes can also be catalyzed by tetrabutylammonium hydroxide to yield polymethylsilsesquioxanes (scheme 1). This replaces the step-growth sol-gel polymerization process of organotrialkoxysilanes, which requires solvent, stoichiometric water and produces alcohol and water condensation by-products. Tetraalkylammonium hydroxides, as catalysts, are also attractive because they readily decompose by heating above 150 C; thus, they can be easily removed from the final materials. In this paper the authors report on both the catalytic and stoichiometric redistribution of organohydridosiloxanes to produce polysilsesquioxane foams and gels of the formula (RSiO{sub 1.5}){sub n} which otherwise cannot be obtained through traditional sol-gel means.

  16. Denoising ECG signal based on ensemble empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Zhi-dong, Zhao; Liu, Juan; Wang, Sheng-tao

    2011-10-01

    The electrocardiogram (ECG) has been used extensively for detection of heart disease. Frequently the signal is corrupted by various kinds of noise such as muscle noise, electromyogram (EMG) interference, instrument noise etc. In this paper, a new ECG denoising method is proposed based on the recently developed ensemble empirical mode decomposition (EEMD). Noisy ECG signal is decomposed into a series of intrinsic mode functions (IMFs). The statistically significant information content is build by the empirical energy model of IMFs. Noisy ECG signal collected from clinic recording is processed using the method. The results show that on contrast with traditional methods, the novel denoising method can achieve the optimal denoising of the ECG signal.

  17. Sea clutter constituent synthesis approach based on a new decomposition model

    NASA Astrophysics Data System (ADS)

    Zhang, Shengmiao; Li, Jun; He, Zishu; Zhang, Wei; Li, Huiyong

    2015-12-01

    In this paper, a sea clutter decomposition model is newlxy proposed. The decomposition structure is organized according to a comparison study between measured sea clutter and Lorenz chaotic signals. Based on the decomposition model, a sea clutter constituent synthesis approach is developed to reconstruct sea clutter series with neural networks. Simulation results demonstrate the effectiveness and stability of the proposed approach.

  18. Wavelet decomposition-based efficient face liveness detection

    NASA Astrophysics Data System (ADS)

    Moniruzzaman, Md.; Alam, Mohammad S.

    2016-04-01

    Existing face recognition systems are susceptible to spoofing attacks. So, Face liveness detection is a pivotal part for reliable face recognition, which has recently acknowledged vast attention. In this paper we propose a wavelet decomposition based face liveness recognition system using an energy calculation technique. Live faces contain high energy components compared to fake or printed image. In this paper, we calculate energy components of live face as well as fake face using discrete wavelet decomposition method. We analyze percentage of energy at different levels as well as for different wavelet basis function. We also analyze percentage of energy at different RGB bands and efficient face liveness detection method has been proposed. Discrete wavelet representation has been used to calculate decomposed energy components. Moreover, it provides differentiation of several spatial orientations as well as average and detailed information which are missing in the fake faces. This technique provides excellent discrimination capability when compared to the previously reported works based on the discrete Fourier transform and n-dimensional Fourier transform operations. To verify the proposed approach, we tested the performance using various face antispoofing datasets such as university of south Alabama (UFAD), and MSU face antispoofing dataset which incorporates different types of attacks. The test results obtained using the proposed technique shows better performance compared to existing techniques.

  19. 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.

  20. 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.

  1. 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

  2. High-temperature stable, iron-based core-shell catalysts for ammonia decomposition.

    PubMed

    Feyen, Mathias; Weidenthaler, Claudia; Güttel, Robert; Schlichte, Klaus; Holle, Ulrich; Lu, An-Hui; Schüth, Ferdi

    2011-01-10

    High-temperature, stable core-shell catalysts for ammonia decomposition have been synthesized. The highly active catalysts, which were found to be also excellent model systems for fundamental studies, are based on α-Fe(2)O(3) nanoparticles coated by porous silica shells. In a bottom-up approach, hematite nanoparticles were firstly obtained from the hydrothermal reaction of ferric chlorides, L-lysine, and water with adjustable average sizes of 35, 47, and 75 nm. Secondly, particles of each size could be coated by a porous silica shell by means of the base-catalyzed hydrolysis of tetraethylorthosilicate (TEOS) with cetyltetramethylammonium bromide (CTABr) as porogen. After calcination, TEM, high-resolution scanning electron microscopy (HR-SEM), energy-dispersive X-ray (EDX), XRD, and nitrogen sorption studies confirmed the successful encapsulation of hematite nanoparticles inside porous silica shells with a thickness of 20 nm, thereby leading to composites with surface areas of approximately 380 m(2)  g(-1) and iron contents between 10.5 and 12.2 wt %. The obtained catalysts were tested in ammonia decomposition. The influence of temperature, iron oxide core size, possible diffusion limitations, and dilution effects of the reagent gas stream with noble gases were studied. The catalysts are highly stable at 750 °C with a space velocity of 120,000 cm(3)  g(cat)(-1)  h(-1) and maintained conversions of around 80 % for the testing period time of 33 h. On the basis of the excellent stability under reaction conditions up to 800 °C, the system was investigated by in situ XRD, in which body-centered iron was determined, in addition to FeN(x), as the crystalline phase under reaction conditions above 650 °C. PMID:21207578

  3. 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.

  4. The hemocompatibility of a nitric oxide generating polymer that catalyzes S-nitrosothiol decomposition in an extracorporeal circulation model

    PubMed Central

    Major, Terry C.; Brant, David O.; Burney, Charles P.; Amoako, Kagya A.; Annich, Gail M.; Meyerhoff, Mark E.; Handa, Hitesh; Bartlett, Robert H.

    2011-01-01

    Nitric oxide (NO) generating (NOGen) materials have been shown previously to create localized increases in NO concentration by the catalytic decomposition of blood S-nitrosothiols (RSNO) via copper (Cu)-containing polymer coatings and may improve extracorporeal circulation (ECC) hemocompatibility. In this work, a NOGen polymeric coating composed of a Cuo-nanoparticle (80 nm)-containing hydrophilic polyurethane (SP-60D-60) combined with the intravenous infusion of an RSNO, S-nitroso-N-acetylpenicillamine (SNAP), is evaluated in a 4 h rabbit thrombogenicity model and the anti-thrombotic mechanism is investigated. Polymer films containing 10 wt.% Cuo-nanoparticles coated on the inner walls of ECC circuits are employed concomitantly with systemic SNAP administration (0.1182 μmol/kg/min) to yield significantly reduced ECC thrombus formation compared to polymer control + systemic SNAP or 10 wt.% Cu NOGen + systemic saline after 4 h blood exposure (0.4 ± 0.2 NOGen/SNAP vs 4.9 ± 0.5 control/SNAP or 3.2 ± 0.2 pixels/cm2 NOGen/saline). Platelet count (3.9 ± 0.7 NOGen/SNAP vs 1.8 ± 0.1 control/SNAP or 3.0 ± 0.2 × 108/ml NOGen/saline) and plasma fibrinogen levels were preserved after 4 h blood exposure with the NOGen/SNAP combination vs either the control/SNAP or the NOGen/saline groups. Platelet function as measured by aggregometry (51 ± 9 NOGen/SNAP vs 49 ± 3% NOGen/saline) significantly decreased in both the NOGen/SNAP and NOGen/saline groups while platelet P-selectin mean fluorescence intensity (MFI) as measured by flow cytometry was not decreased after 4 h on ECC to ex vivo collagen stimulation (26 ± 2 NOGen/SNAP vs 29 ± 1 MFI baseline). Western blotting showed that fibrinogen activation as assessed by Aγ dimer expression was reduced after 4 h on ECC with NOGen/SNAP (68 ± 7 vs 83 ± 3% control/SNAP). These results suggest that the NOGen polymer coating combined with SNAP infusion preserves platelets in blood exposure to ECCs by attenuating activated

  5. 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.

  6. Unsupervised polarimetric SAR urban area classification based on model-based decomposition with cross scattering

    NASA Astrophysics Data System (ADS)

    Xiang, Deliang; Tang, Tao; Ban, Yifang; Su, Yi; Kuang, Gangyao

    2016-06-01

    Since it has been validated that cross-polarized scattering (HV) is caused not only by vegetation but also by rotated dihedrals, in this study, we use rotated dihedral corner reflectors to form a cross scattering matrix and propose an extended four-component model-based decomposition method for PolSAR data over urban areas. Unlike other urban area decomposition techniques which need to discriminate the urban and natural areas before decomposition, this proposed method is applied on PolSAR image directly. The building orientation angle is considered in this scattering matrix, making it flexible and adaptive in the decomposition. Therefore, we can separate cross scattering of urban areas from the overall HV component. Further, the cross and helix scattering components are also compared. Then, using these decomposed scattering powers, the buildings and natural areas can be easily discriminated from each other using a simple unsupervised K-means classifier. Moreover, buildings aligned and not aligned along the radar flight direction can be also distinguished clearly. Spaceborne RADARSAT-2 and airborne AIRSAR full polarimetric SAR data are used to validate the performance of our proposed method. The cross scattering power of oriented buildings is generated, leading to a better decomposition result for urban areas with respect to other state-of-the-art urban decomposition techniques. The decomposed scattering powers significantly improve the classification accuracy for urban areas.

  7. 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.

  8. Noise cancellation in IR video based on empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Piñeiro-Ave, José; Blanco-Velasco, Manuel; Cruz-Roldán, Fernando; Artés-Rodríguez, Antonio

    2013-05-01

    Currently there is a huge demand for simple low cost IR cameras for both civil and military applications, among which one of the most common is the surveillance of restricted access zones. In the design of low cost IR cameras, it is necessary to avoid the use of several elements present in more sophisticated cameras, such as the refrigeration systems and the temperature control of the detectors, so as to prevent the use of a mechanical modulator of the incident radiation (chopper). Consequently, the detection algorithms must reliably separate the target signal from high noise and drift caused by temporal variations of the background image of the scene and the additional drift due to thermal instability detectors. A very important step towards this goal is the design of a preprocessing stage to eliminate noise. Thus, in this work we propose using the Empirical Mode Decomposition (EMD) method to attain this objective. In order to evaluate the quality of the reconstructed clean signal, the Average to Peak Ratio is assessed to evaluate the effectiveness in reconstructing the waveform of the signal from the target. We compare the EMD method with other classical method of noise cancellation based on the Discrete Wavelet Transform (DWT). The results reported by simulations show that the proposed scheme based on EMD performs better than traditional ones.

  9. Accurate tempo estimation based on harmonic + noise decomposition

    NASA Astrophysics Data System (ADS)

    Alonso, Miguel; Richard, Gael; David, Bertrand

    2006-12-01

    We present an innovative tempo estimation system that processes acoustic audio signals and does not use any high-level musical knowledge. Our proposal relies on a harmonic + noise decomposition of the audio signal by means of a subspace analysis method. Then, a technique to measure the degree of musical accentuation as a function of time is developed and separately applied to the harmonic and noise parts of the input signal. This is followed by a periodicity estimation block that calculates the salience of musical accents for a large number of potential periods. Next, a multipath dynamic programming searches among all the potential periodicities for the most consistent prospects through time, and finally the most energetic candidate is selected as tempo. Our proposal is validated using a manually annotated test-base containing 961 music signals from various musical genres. In addition, the performance of the algorithm under different configurations is compared. The robustness of the algorithm when processing signals of degraded quality is also measured.

  10. Unravelling the Ru-Catalyzed Hydrogenolysis of Biomass-Based Polyols under Neutral and Acidic Conditions.

    PubMed

    Hausoul, Peter J C; Negahdar, Leila; Schute, Kai; Palkovits, Regina

    2015-10-12

    The aqueous Ru/C-catalyzed hydrogenolysis of biomass-based polyols such as erythritol, xylitol, sorbitol, and cellobitol is studied under neutral and acidic conditions. For the first time, the complete product spectrum of C2 C6 polyols is identified and, based on a thorough analysis of the reaction mixtures, a comprehensive reaction mechanism is proposed, which consists of (de)hydrogenation, epimerization, decarbonylation, and deoxygenation reactions. The data reveal that the Ru-catalyzed deoxygenation reaction is highly selective for the cleavage of terminal hydroxyl groups. Changing from neutral to acidic conditions suppresses decarbonylation, consequently increasing the selectivity towards deoxygenation. PMID:26448526

  11. Statistical Analysis of the Ionosphere based on Singular Value Decomposition

    NASA Astrophysics Data System (ADS)

    Demir, Uygar; Arikan, Feza; Necat Deviren, M.; Toker, Cenk

    2016-07-01

    Ionosphere is made up of a spatio-temporally varying trend structure and secondary variations due to solar, geomagnetic, gravitational and seismic activities. Hence, it is important to monitor the ionosphere and acquire up-to-date information about its state in order both to better understand the physical phenomena that cause the variability and also to predict the effect of the ionosphere on HF and satellite communications, and satellite-based positioning systems. To charaterise the behaviour of the ionosphere, we propose to apply Singular Value Decomposition (SVD) to Total Electron Content (TEC) maps obtained from the TNPGN-Active (Turkish National Permanent GPS Network) CORS network. TNPGN-Active network consists of 146 GNSS receivers spread over Turkey. IONOLAB-TEC values estimated from each station are spatio-temporally interpolated using a Universal Kriging based algorithm with linear trend, namely IONOLAB-MAP, with very high spatial resolution. It is observed that the dominant singular value of TEC maps is an indicator of the trend structure of the ionosphere. The diurnal, seasonal and annual variability of the most dominant value is the representation of solar effect on ionosphere in midlatitude range. Secondary and smaller singular values are indicators of secondary variation which can have significance especially during geomagnetic storms or seismic disturbances. The dominant singular values are related to the physical basis vectors where ionosphere can be fully reconstructed using these vectors. Therefore, the proposed method can be used both for the monitoring of the current state of a region and also for the prediction and tracking of future states of ionosphere using singular values and singular basis vectors. This study is supported by by TUBITAK 115E915 and Joint TUBITAK 114E092 and AS CR14/001 projects.

  12. Thermal Decomposition Behavior of Ammonium Perchlorate and of an Ammonium-Perchlorate-Based Composite Propellant

    NASA Technical Reports Server (NTRS)

    Behrens, R.; Minier, L.

    1998-01-01

    The thermal decomposition of ammonium perchlorate (AP) and ammonium-perchlorate-based composite propellants is studied using the simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) technique. The main objective of the present work is to evaluate whether the STMBMS can provide new data on these materials that will have sufficient detail on the reaction mechanisms and associated reaction kinetics to permit creation of a detailed model of the thermal decomposition process. Such a model is a necessary ingredient to engineering models of ignition and slow-cookoff for these AP-based composite propellants. Results show that the decomposition of pure AP is controlled by two processes. One occurs at lower temperatures (240 to 270 C), produces mainly H2O, O2, Cl2, N2O and HCl, and is shown to occur in the solid phase within the AP particles. 200(micro) diameter AP particles undergo 25% decomposition in the solid phase, whereas 20(micro) diameter AP particles undergo only 13% decomposition. The second process is dissociative sublimation of AP to NH3 + HClO4 followed by the decomposition of, and reaction between, these two products in the gas phase. The dissociative sublimation process occurs over the entire temperature range of AP decomposition, but only becomes dominant at temperatures above those for the solid-phase decomposition. AP-based composite propellants are used extensively in both small tactical rocket motors and large strategic rocket systems.

  13. The thermal decomposition behavior of ammonium perchlorate and of an ammonium-perchlorate-based composite propellant

    SciTech Connect

    Behrens, R.; Minier, L.

    1998-03-24

    The thermal decomposition of ammonium perchlorate (AP) and ammonium-perchlorate-based composite propellants is studied using the simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) technique. The main objective of the present work is to evaluate whether the STMBMS can provide new data on these materials that will have sufficient detail on the reaction mechanisms and associated reaction kinetics to permit creation of a detailed model of the thermal decomposition process. Such a model is a necessary ingredient to engineering models of ignition and slow-cookoff for these AP-based composite propellants. Results show that the decomposition of pure AP is controlled by two processes. One occurs at lower temperatures (240 to 270 C), produces mainly H{sub 2}O, O{sub 2}, Cl{sub 2}, N{sub 2}O and HCl, and is shown to occur in the solid phase within the AP particles. 200{micro} diameter AP particles undergo 25% decomposition in the solid phase, whereas 20{micro} diameter AP particles undergo only 13% decomposition. The second process is dissociative sublimation of AP to NH{sub 3} + HClO{sub 4} followed by the decomposition of, and reaction between, these two products in the gas phase. The dissociative sublimation process occurs over the entire temperature range of AP decomposition, but only becomes dominant at temperatures above those for the solid-phase decomposition. AP-based composite propellants are used extensively in both small tactical rocket motors and large strategic rocket systems.

  14. Decomposition-Based Decision Making for Aerospace Vehicle Design

    NASA Technical Reports Server (NTRS)

    Borer, Nicholas K.; Mavris, DImitri N.

    2005-01-01

    reader to observe how this technique can be applied to aerospace systems design and compare the results of this so-called Decomposition-Based Decision Making to more traditional design approaches.

  15. Biphenol-based phosphoramidite ligands for the enantioselective copper-catalyzed conjugate addition of diethylzinc.

    PubMed

    Alexakis, Alexandre; Polet, Damien; Rosset, Stéphane; March, Sébastien

    2004-08-20

    Phosphoramidite ligands, based on ortho-substituted biphenols and a chiral amine, induce high enantioselectivities (ee's up to 99%) in the copper-catalyzed conjugate addition of dialkylzinc reagents to a variety of Michael acceptors. Particularly, the best reported ee's were obtained for acyclic nitroolefins. PMID:15307737

  16. ENSO forecast using a wavelet-based decomposition

    NASA Astrophysics Data System (ADS)

    Deliège, Adrien; Nicolay, Samuel; Fettweis, Xavier

    2015-04-01

    The aim of this work is to introduce a new method for forecasting major El Niño/ La Niña events with the use of a wavelet-based mode decomposition. These major events are related to sea surface temperature anomalies in the tropical Pacific Ocean: anomalous warmings are known as El Niño events, while excessive coolings are referred as La Niña episodes. These climatological phenomena are of primary importance since they are involved in many teleconnections; predicting them long before they occur is therefore a crucial concern. First, we perform a wavelet transform (WT) of the monthly sampled El Niño Southern Oscillation 3.4 index (from 1950 to present) and compute the associated scale spectrum, which can be seen as the energy carried in the WT as a function of the scale. It can be observed that the spectrum reaches five peaks, corresponding to time scales of about 7, 20, 31, 43 and 61 months respectively. Therefore, the Niño 3.4 signal can be decomposed into five dominant oscillating components with time-varying amplitudes, these latter being given by the modulus of the WT at the associated pseudo-periods. The reconstruction of the index based on these five components is accurate since more than 93% of the El Niño/ La Niña events of the last 60 years are recovered and no major event is erroneously predicted. Then, the components are smoothly extrapolated using polynomials and added together, giving so several years forecasts of the Niño 3.4 index. In order to increase the reliability of the forecasts, we perform several months hindcasts (i.e. retroactive probing forecasts) which can be validated with the existing data. It turns out that most of the major events can be accurately predicted up to three years in advance, which makes our methodology competitive for such forecasts. Finally, we discuss the El Niño conditions currently undergone and give indications about the next La Niña event.

  17. Empirical and physics based mathematical models of uranium hydride decomposition kinetics with quantified uncertainties.

    SciTech Connect

    Salloum, Maher N.; Gharagozloo, Patricia E.

    2013-10-01

    Metal particle beds have recently become a major technique for hydrogen storage. In order to extract hydrogen from such beds, it is crucial to understand the decomposition kinetics of the metal hydride. We are interested in obtaining a a better understanding of the uranium hydride (UH3) decomposition kinetics. We first developed an empirical model by fitting data compiled from different experimental studies in the literature and quantified the uncertainty resulting from the scattered data. We found that the decomposition time range predicted by the obtained kinetics was in a good agreement with published experimental results. Secondly, we developed a physics based mathematical model to simulate the rate of hydrogen diffusion in a hydride particle during the decomposition. We used this model to simulate the decomposition of the particles for temperatures ranging from 300K to 1000K while propagating parametric uncertainty and evaluated the kinetics from the results. We compared the kinetics parameters derived from the empirical and physics based models and found that the uncertainty in the kinetics predicted by the physics based model covers the scattered experimental data. Finally, we used the physics-based kinetics parameters to simulate the effects of boundary resistances and powder morphological changes during decomposition in a continuum level model. We found that the species change within the bed occurring during the decomposition accelerates the hydrogen flow by increasing the bed permeability, while the pressure buildup and the thermal barrier forming at the wall significantly impede the hydrogen extraction.

  18. Base-Catalyzed Linkage Isomerization: An Undergraduate Inorganic Kinetics Experiment.

    ERIC Educational Resources Information Center

    Jackson, W. G.; And Others

    1981-01-01

    Describes kinetics experiments completed in a single two-hour laboratory period at 25 degrees Centigrade of nitrito to nitro rearrangement, based on the recently discovered base-catalysis path. Includes information on synthesis and characterization of linkage isomers, spectrophotometric techniques, and experimental procedures. (SK)

  19. Effects of a trait-based parameterisation of litter decomposition

    NASA Astrophysics Data System (ADS)

    Kleinen, Thomas; Brovkin, Victor; van Bodegom, Peter; Kattge, Jens; Wirth, Christian

    2013-04-01

    Stocks of plant litter play an important role in the terrestrial carbon cycle. On a regional scale, litter stocks influence fire regimes, soil fertility, and soil organic matter formation. On the global scale, these factors influence global CO2 and climate. In many dynamic global vegetation models, the decomposition of plant litter is treated rather simplistically by aggregating leaf and woody litter into a single litter pool and using a common decomposition rate for all litter pools without taking different plant species or litter types into account. Measurements, on the other hand, clearly show that a) leaf litter decomposes much faster than woody litter, b) litter from different plant species decomposes at different rates, and c) the temperature sensitivity of woody litter decomposition also is species-dependent. The common modelling approach therefore clearly is incompatible with measurements. As a consequence, we modified the dynamic global vegetation model LPJ by a) introducing different litter pools for leaf and woody litter and by b) linking plant functional types to decomposition rates, as well as temperature sensitivities, of wood and leaf litter determined from two databases of plant traits. These changes give a more realistic distribution of litter stocks in most biomes, with the exception of boreal forests. In a projection for future climate, using the SRES A2 scenario, the modified parameterisation leads to an increase in litter stocks by 35 PgC, as well as a decrease in atmospheric CO2 by 3 ppm by 2100. Despite the increase in litter stocks, the fire emissions increase less than when using the original parameterization, since the litter is redistributed to more humid regions.

  20. Image-based Material Decomposition with a General Volume Constraint for Photon-Counting CT

    PubMed Central

    Li, Zhoubo; Leng, Shuai; Yu, Lifeng; Yu, Zhicong; McCollough, Cynthia H.

    2015-01-01

    Photon-counting CT (PCCT) potentially offers both improved dose efficiency and material decomposition capabilities relative to CT systems using energy integrating detectors. With respect to material decomposition, both projection-based and image-based methods have been proposed, most of which require accurate a priori information regarding the shape of the x-ray spectra and the response of the detectors. Additionally, projection-based methods require access to projection data. These data can be difficult to obtain, since spectra, detector response, and projection data formats are proprietary information. Further, some published image-based, 3-material decomposition methods require a volume conservation assumption, which is often violated in solutions. We have developed an image-based material decomposition method that can overcome those limitations. We introduced a general condition on volume constraint that does not require the volume to be conserved in a mixture. An empirical calibration can be performed with various concentrations of basis materials. The material decomposition method was applied to images acquired from a prototype whole-body PCCT scanner. The results showed good agreement between the estimation and known mass concentration values. Factors affecting the performance of material decomposition, such as energy threshold configuration and volume conservation constraint, were also investigated. Changes in accuracy of the mass concentration estimates were demonstrated for four different energy configurations and when volume conservation was assumed. PMID:26229220

  1. 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.

  2. Nanoinformatics and DNA-based computing: catalyzing nanomedicine.

    PubMed

    Maojo, Victor; Martin-Sanchez, Fernando; Kulikowski, Casimir; Rodriguez-Paton, Alfonso; Fritts, Martin

    2010-05-01

    Five decades of research and practical application of computers in biomedicine has given rise to the discipline of medical informatics, which has made many advances in genomic and translational medicine possible. Developments in nanotechnology are opening up the prospects for nanomedicine and regenerative medicine where informatics and DNA computing can become the catalysts enabling health care applications at sub-molecular or atomic scales. Although nanomedicine promises a new exciting frontier for clinical practice and biomedical research, issues involving cost-effectiveness studies, clinical trials and toxicity assays, drug delivery methods, and the implementation of new personalized therapies still remain challenging. Nanoinformatics can accelerate the introduction of nano-related research and applications into clinical practice, leading to an area that could be called "translational nanoinformatics." At the same time, DNA and RNA computing presents an entirely novel paradigm for computation. Nanoinformatics and DNA-based computing are together likely to completely change the way we model and process information in biomedicine and impact the emerging field of nanomedicine most strongly. In this article, we review work in nanoinformatics and DNA (and RNA)-based computing, including applications in nanopediatrics. We analyze their scientific foundations, current research and projects, envisioned applications and potential problems that might arise from them. PMID:20118825

  3. A full variational calculation based on a tensor product decomposition

    NASA Astrophysics Data System (ADS)

    Senese, Frederick A.; Beattie, Christopher A.; Schug, John C.; Viers, Jimmy W.; Watson, Layne T.

    1989-08-01

    A new direct full variational approach exploits a tensor (Kronecker) product decomposition of the Hamiltonian. Explicit assembly and storage of the Hamiltonian matrix is avoided by using the Kronecker product structure to form matrix-vector products directly from the molecular integrals. Computation-intensive integral transformations and formula tapes are unnecessary. The wavefunction is expanded in terms of spin-free primitive kets rather than Slater determinants or configuration state functions, and the expansion is equivalent to a full configuration interaction expansion. The approach suggests compact storage schemes and algorithms which are naturally suited to parallel and pipelined machines.

  4. One-Pot Copper(I)-Catalyzed Ligand/Base-Free Tandem Cyclooxidative Synthesis of Quinazolinones.

    PubMed

    Upadhyaya, Kapil; Thakur, Ravi Kumar; Shukla, Sanjeev K; Tripathi, Rama Pati

    2016-06-17

    A novel and efficient Cu(I)-catalyzed ligand- and base-free multipathway domino strategy has been developed for the synthesis of 2-substituted quinazolinones. The reaction utilizes 2-bromobenzamide and multiform substrates such as aldehydes, alcohols, and methyl arenes for a one-pot protocol, whereas TMSN3 is used as a nitrogen source. A wide range of substrate scope, functional group tolerance, and operational simplicity are synthetically useful features. PMID:27223462

  5. Synthesis of Biheterocycles Based on Quinolinone, Chromone, and Coumarin Scaffolds by Palladium-Catalyzed Decarboxylative Couplings.

    PubMed

    Vardhan Reddy, K Harsha; Brion, Jean-Daniel; Messaoudi, Samir; Alami, Mouad

    2016-01-15

    An efficient Pd-catalyzed decarboxylative coupling of heterocyclic carboxylic acids with heterocyclic halides to achieve the synthesis of biheterocycles of biological interest has been reported. In all cases, the cross-coupling reactions take place rapidly in DMSO in good yields and efficiently proceed in the presence of a PdBr2/DPEphos catalytic system, furnishing the novel biheterocycles based on quinolin-4-one, quinolin-2-one, chromone, and coumarin scaffolds. PMID:26691351

  6. A weighted polynomial based material decomposition method for spectral x-ray CT imaging.

    PubMed

    Wu, Dufan; Zhang, Li; Zhu, Xiaohua; Xu, Xiaofei; Wang, Sen

    2016-05-21

    Currently in photon counting based spectral x-ray computed tomography (CT) imaging, pre-reconstruction basis materials decomposition is an effective way to reconstruct densities of various materials. The iterative maximum-likelihood method requires precise spectrum information and is time-costly. In this paper, a novel non-iterative decomposition method based on polynomials is proposed for spectral CT, whose aim was to optimize the noise performance when there is more energy bins than the number of basis materials. Several subsets were taken from all the energy bins and conventional polynomials were established for each of them. The decomposition results from each polynomial were summed with pre-calculated weighting factors, which were designed to minimize the overall noises. Numerical studies showed that the decomposition noise of the proposed method was close to the Cramer-Rao lower bound under Poisson noises. Furthermore, experiments were carried out with an XCounter Filte X1 photon counting detector for two-material decomposition and three-material decomposition for validation. PMID:27082291

  7. A weighted polynomial based material decomposition method for spectral x-ray CT imaging

    NASA Astrophysics Data System (ADS)

    Wu, Dufan; Zhang, Li; Zhu, Xiaohua; Xu, Xiaofei; Wang, Sen

    2016-05-01

    Currently in photon counting based spectral x-ray computed tomography (CT) imaging, pre-reconstruction basis materials decomposition is an effective way to reconstruct densities of various materials. The iterative maximum-likelihood method requires precise spectrum information and is time-costly. In this paper, a novel non-iterative decomposition method based on polynomials is proposed for spectral CT, whose aim was to optimize the noise performance when there is more energy bins than the number of basis materials. Several subsets were taken from all the energy bins and conventional polynomials were established for each of them. The decomposition results from each polynomial were summed with pre-calculated weighting factors, which were designed to minimize the overall noises. Numerical studies showed that the decomposition noise of the proposed method was close to the Cramer–Rao lower bound under Poisson noises. Furthermore, experiments were carried out with an XCounter Filte X1 photon counting detector for two-material decomposition and three-material decomposition for validation.

  8. 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.

  9. Mechanical and microstructural properties of two-step acid-base catalyzed silica gels

    SciTech Connect

    Meyers, D.E.; Kirkbir, F.; Murata, H.; Chaudhuri, S.R.; Sarkar, A.

    1994-12-31

    The mechanical and microstructural properties of two-step acid-base catalyzed silica gels were examined as functions of aging time, catalyst concentration, and hydrolysis time. Cylindrical gels were prepared using Si(OC{sub 2}H{sub 5}){sub 4}, C{sub 2}H{sub 5}OH, and H{sub 2}O, with HCl followed by NH{sub 3} as catalysts. Mechanical properties were obtained from three-point bend tests, and the microstructures of dried gels were analyzed using nitrogen adsorption/desorption techniques. Gel strength initially increased with aging time at 70 C, then leveled off after about one week. When the sol was hydrolyzed for less than two hours, there were significant differences in the properties of gels catalyzed with relative molar amounts of 0.0001 and 0.0002 HCl. However, as the hydrolysis time was increased, the gels all had similar properties, independent of the amount of HCl. The amount of NH{sub 3} influenced gelation time and to a lesser extent, the strength, but had no observable effect on pore size. The two-step catalysis procedure produced gels with strength and pore size combinations intermediate to those of either single acid or base-catalyzed gels.

  10. Kinetics and mechanisms of the base decomposition of nitrogen trichloride in aqueous solution

    SciTech Connect

    Kumar, K.; Shinness, R.W.; Margerum, D.W.

    1987-10-21

    The rate expression for the base decomposition of nitrogen trichloride is -d(NCl/sub 3/)dt = 2(k/sub 0/ + k/sub 1/(OH/sup -/) + k/sub HB/(HB)(OH/sup -/) + k/sub 2/(OH/sup -/)/sup 2/)(NCl/sub 3/), based on the stoichiometry 2NCl/sub 3/ + 6OH/sup -/ ..-->.. N/sub 2/ + 3OCl/sup -/ + 3Cl/sup -/ + 3H/sub 2/O. Values of the rate constants (25.0/sup 0/C, ..mu.. = 0.5) are 1.6 x 10/sup -6/ s/sup -1/ for k/sub 0/, 8 M/sup -1/ s/sup -1/ for k/sub 1/, and 890 M/sup -2/ for k/sub 2/. The specific-basegeneral-acid-catalyzed path gives k/sub HB/ values (M/sup -2/ s/sup -1/) of 2.1 x 10/sup 3/ for H/sub 2/PO/sub 4//sup -/, 7.6 x 10/sup 2/ for B(OH)/sub 3/, 65 for HCO/sub 3//sup -/, and 128 for HPO/sub 4//sup 2 -/. In the proposed mechanism Cl/sub 2/NClOH/sup -/ is a common reactive intermediate that can react with acids (H/sub 3/O/sup +/, HB and H/sub 2/O with a Broensted ..cap alpha.. value of 0.48) to form HNCl/sub 2/ and HOCl or it can react with an additional OH/sup -/ to release OCl/sup -/. The HNCl/sub 2/ so formed reacts rapidly with a second NCl/sub 3/ to give products. Kinetics data allow an equilibrium constant of 1.6 x 10/sup 8/ M/sup -1/ (25.0/sup 0/C, ..mu.. = 0.5) to be calculated for the reaction NHCl/sub 2/ + HOCl reversible NCl/sub 3/ + H/sub 2/O.

  11. A new optical image cryptosystem based on two-beam coherent superposition and unequal modulus decomposition

    NASA Astrophysics Data System (ADS)

    Chen, Linfei; Gao, Xiong; Chen, Xudong; He, Bingyu; Liu, Jingyu; Li, Dan

    2016-04-01

    In this paper, a new optical image cryptosystem is proposed based on two-beam coherent superposition and unequal modulus decomposition. Different from the equal modulus decomposition or unit vector decomposition, the proposed method applies common vector decomposition to accomplish encryption process. In the proposed method, the original image is firstly Fourier transformed and the complex function in spectrum domain will be obtained. The complex distribution is decomposed into two vector components with unequal amplitude and phase by the common vector decomposition method. Subsequently, the two components are modulated by two random phases and transformed from spectrum domain to spatial domain, and amplitude parts are extracted as encryption results and phase parts are extracted as private keys. The advantages of the proposed cryptosystem are: four different phase and amplitude information created by the method of common vector decomposition strengthens the security of the cryptosystem, and it fully solves the silhouette problem. Simulation results are presented to show the feasibility and the security of the proposed cryptosystem.

  12. Displacement decomposition ACO based preconditioning of FEM elasticity systems

    NASA Astrophysics Data System (ADS)

    Sviercoski, R. F.; Margenov, S.

    2013-10-01

    Computational simulations of multiscale deformable porous media are routinely encountered as a part of research and development activities in a number of engineering, environmental and biomedical fields. The efficiency of multilevel iterative solution of such problems is a challenging topic on numerical methods for large-scale scientific computing, this is because predicting the mechanical behavior of such systems with hierarchical structures with multiple scales is very computationally demanding. Our main interest application concerns medium that has complex hierarchical morphology in the sense that features ranges from nanometer to millimeter scales. The goal of this work is to propose a computationally efficient numerical tool that can be used to perform everyday predictive simulations as an integral part of osteoporosis treatment, for example. To achieve that, highly heterogeneous media are considered that resembles trabecular bone tissues. The related fine-scale linear elasticity problem is of high contrast and high frequency. The finite element method (FEM) is applied for discretization of the related linear elasticity problem, using separable displacement decomposition. The new feature in this work is that at coarser levels, a block diagonal preconditioner is applied that incorporates an analytical effective tensor into the simulation, avoiding costly numerical solutions of local problems that are inherent in methods for multiscale problems. The robustness of the new proposed algorithm is measured by comparing the number of V-cycles necessary to resolve the considered multiscale problems with other well known techniques.

  13. Sparse time-frequency decomposition based on dictionary adaptation.

    PubMed

    Hou, Thomas Y; Shi, Zuoqiang

    2016-04-13

    In this paper, we propose a time-frequency analysis method to obtain instantaneous frequencies and the corresponding decomposition by solving an optimization problem. In this optimization problem, the basis that is used to decompose the signal is not known a priori. Instead, it is adapted to the signal and is determined as part of the optimization problem. In this sense, this optimization problem can be seen as a dictionary adaptation problem, in which the dictionary is adaptive to one signal rather than a training set in dictionary learning. This dictionary adaptation problem is solved by using the augmented Lagrangian multiplier (ALM) method iteratively. We further accelerate the ALM method in each iteration by using the fast wavelet transform. We apply our method to decompose several signals, including signals with poor scale separation, signals with outliers and polluted by noise and a real signal. The results show that this method can give accurate recovery of both the instantaneous frequencies and the intrinsic mode functions. PMID:26953172

  14. Base-Controlled Cu-Catalyzed Tandem Cyclization/Alkynylation for the Synthesis of Indolizines.

    PubMed

    Oh, Kyung Hwan; Kim, Seong Min; Park, Sun Young; Park, Jin Kyoon

    2016-05-01

    A base-controlled Cu-catalyzed tandem cyclization/alkynylation of propargylic amines provides rapid access to functionalized indolizine derivatives under mild reaction conditions. The reaction first proceeded via a 5-endo-dig aminocupration, followed by a coupling between the copper-bound intermediate and alkynyl bromide, to afford the products in good to excellent yields. The successful tandem reaction is attributed to the unique property of the bases, DBU (1,8-diazabicyclo[5.4.0]undec-7-ene) and MTBD (7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene used). PMID:27097044

  15. Lewis Base Activation of Silyl Acetals: Iridium-Catalyzed Reductive Horner-Wadsworth-Emmons Olefination.

    PubMed

    Dakarapu, Udaya Sree; Bokka, Apparao; Asgari, Parham; Trog, Gabriela; Hua, Yuanda; Nguyen, Hiep H; Rahman, Nawal; Jeon, Junha

    2015-12-01

    A Lewis base promoted deprotonative pronucleophile addition to silyl acetals has been developed and applied to the iridium-catalyzed reductive Horner-Wadsworth-Emmons (HWE) olefination of esters and the chemoselective reduction of the resulting enoates. Lewis base activation of silyl acetals generates putative pentacoordinate silicate acetals, which fragment into aldehydes, silanes, and alkoxides in situ. Subsequent deprotonative metalation of phosphonate esters followed by HWE with aldehydes furnishes enoates. This operationally convenient, mechanistically unique protocol converts the traditionally challenging aryl, alkenyl, and alkynyl esters to homologated enoates at room temperature within a single vessel. PMID:26566189

  16. Polymer electrolyte membrane fuel cell fault diagnosis based on empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Damour, Cédric; Benne, Michel; Grondin-Perez, Brigitte; Bessafi, Miloud; Hissel, Daniel; Chabriat, Jean-Pierre

    2015-12-01

    Diagnosis tool for water management is relevant to improve the reliability and lifetime of polymer electrolyte membrane fuel cells (PEMFCs). This paper presents a novel signal-based diagnosis approach, based on Empirical Mode Decomposition (EMD), dedicated to PEMFCs. EMD is an empirical, intuitive, direct and adaptive signal processing method, without pre-determined basis functions. The proposed diagnosis approach relies on the decomposition of FC output voltage to detect and isolate flooding and drying faults. The low computational cost of EMD, the reduced number of required measurements, and the high diagnosis accuracy of flooding and drying faults diagnosis make this approach a promising online diagnosis tool for PEMFC degraded modes management.

  17. Implementation of QR-decomposition based on CORDIC for unitary MUSIC algorithm

    NASA Astrophysics Data System (ADS)

    Lounici, Merwan; Luan, Xiaoming; Saadi, Wahab

    2013-07-01

    The DOA (Direction Of Arrival) estimation with subspace methods such as MUSIC (MUltiple SIgnal Classification) and ESPRIT (Estimation of Signal Parameters via Rotational Invariance Technique) is based on an accurate estimation of the eigenvalues and eigenvectors of covariance matrix. QR decomposition is implemented with the Coordinate Rotation DIgital Computer (CORDIC) algorithm. QRD requires only additions and shifts [6], so it is faster and more regular than other methods. In this article the hardware architecture of an EVD (Eigen Value Decomposition) processor based on TSA (triangular systolic array) for QR decomposition is proposed. Using Xilinx System Generator (XSG), the design is implemented and the estimated logic device resource values are presented for different matrix sizes.

  18. Real-time mode decomposition for few-mode fiber based on numerical method.

    PubMed

    Huang, Liangjin; Guo, Shaofeng; Leng, Jinyong; Lü, Haibin; Zhou, Pu; Cheng, Xiang'ai

    2015-02-23

    Today a specific attention has been paid to look into the modal characteristics of the high-power laser beam. And the instantaneous monitoring and analyzing on modal content via the mode decomposition technique will provide a novel route. We implement the first-ever experimental investigation on the real-time mode decomposition technique for few-mode laser beam based on stochastic parallel gradient descent algorithm. It will reduce the cost and the complexity of the mode decomposition system. We have succeeded to decompose the mode spectra as well as calculating the beam quality factor at about 9 Hz monitoring rate, while the high agreement between the measured and reconstructed intensity profiles in each frame indicating the high accuracy and stability during the process. By employing a fiber-squeezing-based polarization controller, the modal content under test can be time-varying automatically. PMID:25836499

  19. A lithium-air fuel cell using copper to catalyze oxygen-reduction based on copper-corrosion mechanism.

    PubMed

    Wang, Yonggang; Zhou, Haoshen

    2010-09-14

    The copper-catalyzed O(2) reduction in aqueous electrolyte and the Li-anode in organic electrolyte were united together by a ceramic Li-ions exchange film to form a lithium-air fuel cell. The achieved results demonstrate the cycle between Cu and Cu(2)O can be used to catalyze O(2) electrochemical reduction based on the copper-corrosion mechanism. PMID:20668776

  20. Palladium-Catalyzed Aerobic Acetoxylation of Benzene using NOx-Based Redox Mediators‡

    PubMed Central

    Zultanski, Susan L.; Stahl, Shannon S.

    2015-01-01

    Palladium-catalyzed methods for C–H oxygenation with O2 as the stoichiometric oxidant are limited. Here, we describe the use of nitrite and nitrate sources as NOx-based redox mediators in the acetoxylation of benzene. The conditions completely avoid formation of biphenyl as a side product, and strongly favor formation of phenyl acetate over nitrobenzene (PhOAc:PhNO2 ratios up to 40:1). Under the optimized reaction conditions, with 0.1 mol% Pd(OAc)2, 136 turnovers of Pd are achieved with only 1 atm of O2 pressure. PMID:25843978

  1. Logic synthesis strategy based on BDD decomposition and PAL-oriented optimization

    NASA Astrophysics Data System (ADS)

    Opara, Adam; Kania, Dariusz

    2015-12-01

    A new strategy of logic synthesis for PAL-based CPLDs is presented in the paper. This approach consists of an original method of two-stage BDD-based decomposition and a two-level PAL-oriented optimization. The aim of the proposed approach is oriented towards balanced (speed/area) optimization. The first element of the strategy is original PAL-oriented decomposition. This decomposition consists in the sequential search for an input partition providing the feasibility for implementation of the free block in one PAL-based logic block containing a predefined number of product terms. The presented non-standard decomposition provides a means to minimize the area of the implemented circuit and to reduce of the necessary logic blocks in the programmable structure. The second element of the proposed logic synthesis strategy is oriented towards speed optimization. This optimization is based on utilizing tri-state buffers. Results of experiments prove that the presented synthesis strategy is especially effective for CPLD structures, which consist of PAL-based logic blocks containing a low number of product terms.

  2. 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.

  3. Enhanced spacer-is-dielectric (sid) decomposition flow with model-based verification

    NASA Astrophysics Data System (ADS)

    Du, Yuelin; Song, Hua; Shiely, James; Wong, Martin D. F.

    2013-03-01

    Self-aligned double patterning (SADP) lithography is a leading candidate for 14nm node lower-metal layer fabrication. Besides the intrinsic overlay-tolerance capability, the accurate spacer width and uniformity control enables such technology to fabricate very narrow and dense patterns. Spacer-is-dielectric (SID) is the most popular flavor of SADP with higher flexibility in design. In the SID process, due to uniform spacer deposition, the spacer shape gets rounded at convex mandrel corners, and disregarding the corner rounding issue during SID decomposition may result in severe residue artifacts on device patterns. Previously, SADP decomposition was merely verified by Boolean operations on the decomposed layers, where the residue artifacts are not even identifiable. This paper proposes a model-based verification method for SID decomposition to identify the artifacts caused by spacer corner rounding. Then targeting residue artifact removal, an enhanced SID decomposition flow is introduced. Simulation results show that residue artifacts are removed effectively through the enhanced SID decomposition strategy.

  4. Common-base proper orthogonal decomposition as a means of quantitative data comparison

    NASA Astrophysics Data System (ADS)

    Kriegseis, J.; Dehler, T.; Gnirß, M.; Tropea, C.

    2010-08-01

    The method of common-base proper orthogonal decomposition (CPOD) is introduced as a tool for processing data—numerical simulations or experiments—acquired over a selection of operating parameters, for the purpose of quantitative comparison and/or optimization. In the present work, a review of the standard proper orthogonal decomposition (POD) is presented to explain the need and the nomenclature of the new approach. In order to illustrate the capabilities of CPOD, both POD and CPOD are applied to spatial velocity fields obtained experimentally from immediately above dielectric barrier discharge plasma actuators operated in quiescent air.

  5. New method of attack and security enhancement on an asymmetric cryptosystem based on equal modulus decomposition.

    PubMed

    Wang, Yong; Quan, Chenggen; Tay, Cho Jui

    2016-02-01

    A recently proposed asymmetric cryptosystem based on coherent superposition and equal modulus decomposition has shown to be robust against a specific attack. In this paper, we have shown that it is vulnerable to a newly designed attack. With this attack, an intruder is able to access the exact private key and obtain precise attack results using a phase retrieval algorithm. In addition, we have also proposed a security-enhanced asymmetric cryptosystem using a random decomposition technique and a 4f optical system. In the proposed system, random decomposition is employed to create an effective trapdoor one-way function. As a result, it is able to avoid various types of attacks and maintain the asymmetric characteristics of the cryptosystem. Numerical simulations are presented to demonstrate the feasibility and robustness of the proposed method. PMID:26836068

  6. 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).

  7. 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. PMID:24693836

  8. 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

  9. Ozone decomposition.

    PubMed

    Batakliev, Todor; Georgiev, Vladimir; Anachkov, Metody; Rakovsky, Slavcho; Zaikov, Gennadi E

    2014-06-01

    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

  10. Catalyzed Ceramic Burner Material

    SciTech Connect

    Barnes, Amy S., Dr.

    2012-06-29

    period in accomplishing these objectives. Our work in the area of Pd-based, methane oxidation catalysts has led to the development of highly active catalysts with relatively low loadings of Pd metal using proprietary coating methods. The thermal stability of these Pd-based catalysts were characterized using SEM and BET analyses, further demonstrating that certain catalyst supports offer enhanced stability toward both PdO decomposition and/or thermal sintering/growth of Pd particles. When applied to commercially available fiber mesh substrates (both metallic and ceramic) and tested in an open-air burner, these catalyst-support chemistries showed modest improvements in the NOx emissions and radiant output compared to uncatalyzed substrates. More significant, though, was the performance of the catalyst-support chemistries on novel media substrates. These substrates were developed to overcome the limitations that are present with commercially available substrate designs and increase the gas-catalyst contact time. When catalyzed, these substrates demonstrated a 65-75% reduction in NOx emissions across the firing range when tested in an open air burner. In testing in a residential boiler, this translated into NOx emissions of <15 ppm over the 15-150 kBtu/hr firing range.

  11. Asymmetric 1,3-Dipolar Cycloaddition Reactions Catalyzed by Heterocycle-Based Metal Complexes

    NASA Astrophysics Data System (ADS)

    Suga, Hiroyuki

    Highly enantioselective 1,3-dipolar cycloaddition reactions of several 1,3-dipoles, such as nitrones, nitrile oxides, nitrile imines, diazoalkanes, azomethine imines and carbonyl ylides, catalyzed by heterocyclic supramolecular type of metal complexes consisting of chiral heterocyclic compounds and metal salts were described in terms of their ability of asymmetric induction and enantioface differentiation. The scope and limitations of each cycloaddition reactions were also briefly described. Of the chiral hererocycle-based ligands, chiral bisoxazoline, 2,6-bis(oxazolinyl)pyridine, and related oxazoline ligands are shown to be quite effective in obtaining high levels of asymmtric induction. The combination of the bisoxazoline ligand derived from (1S,2R)-cis-1-amino-2-indanol and metal salts was especially efficient for asymmetric cycloaddition reactions of a number of 1,3-dipoles, such as nitrones, nitrile oxide, nitrile imines, diazoacetates and azomethine imines. The metals utilized for the heterocycle-based complexes show a crucial role for degree of asymmetric induction depending upon the 1,3-dipole used. High levels of enantioselectivity were achieved in 1,3-dipolar cycloaddition reactions of unstable carbonyl ylides with benzyloxyacetaldehyde derivatives, α-keto esters, 3-(2-alkenoyl)-2-oxazolidinones, and even vinyl ethers, which were catalyzed by Pybox-lanthanoid metal complexes.

  12. Creating an Ethnodrama to Catalyze Dialogue in Home-Based Dementia Care.

    PubMed

    Speechley, Mark; DeForge, Ryan T; Ward-Griffin, Catherine; Marlatt, Nicole M; Gutmanis, Iris

    2015-11-01

    This article describes the development of a theater script derived from a critical ethnographic study that followed people living with dementia--and their family and professional caregivers--over an 18-month period. Analysis of the ethnographic data yielded four themes that characterized home-based dementia care relationships: managing care resources, making care decisions, evaluating care practices, and reifying care norms. The research team expanded to include a colleague with playwright experience, who used these themes to write a script. A theater director was included to cast and direct the play, and finally, a videography company filmed the actors on a realistic set. To contribute to the qualitative health research and the research-based theater knowledge translation literatures, this article describes and explains the creative decisions taken as part of our effort to disseminate research focused on home-based dementia care in a way that catalyzes and fosters critical (actionable) dialogue. PMID:26468252

  13. Grid-based electronic structure calculations: The tensor decomposition approach

    NASA Astrophysics Data System (ADS)

    Rakhuba, M. V.; Oseledets, I. V.

    2016-05-01

    We present a fully grid-based approach for solving Hartree-Fock and all-electron Kohn-Sham equations based on low-rank approximation of three-dimensional electron orbitals. Due to the low-rank structure the total complexity of the algorithm depends linearly with respect to the one-dimensional grid size. Linear complexity allows for the usage of fine grids, e.g. 81923 and, thus, cheap extrapolation procedure. We test the proposed approach on closed-shell atoms up to the argon, several molecules and clusters of hydrogen atoms. All tests show systematical convergence with the required accuracy.

  14. Amplified electrochemical sensing of lead ion based on DNA-mediated self-assembly-catalyzed polymerization.

    PubMed

    Zhang, Bing; Chen, Jinfeng; Liu, Bingqian; Tang, Dianping

    2015-07-15

    Lead ion (Pb(2+), a heavy metal ion existed every aspect of life) is one of the most important hazards for environment and human health. Herein we design an in-situ amplified electronic monitoring system for sensitive determination of Pb(2+) on Pb(2+)-specific DNAzyme-modified sensing interface. The assay consists of target-triggered cleavage of Pb(2+)-specific DNAzyme, initiator strand-induced DNA hybridization chain reaction, formation of hemin/G-quadruplex -based DNAzyme and its automatically catalyzed polymerization of aniline monomer along the double-stranded DNA. Experimental results indicated that the catalytic currents of the as-produced polyaniline were linearly dependent on target Pb(2+) concentrations from 0.05 to 50nM with a detection limit (LOD) of 32pM. Such a synergistic effect of hybridization chain reaction with DNAzyme-catalyzed polymerization provided a universal platform for sensitive screening of target Pb(2+), thereby holding great promise for application in practice. PMID:25747508

  15. MRI Volume Fusion Based on 3D Shearlet Decompositions.

    PubMed

    Duan, Chang; Wang, Shuai; Wang, Xue Gang; Huang, Qi Hong

    2014-01-01

    Nowadays many MRI scans can give 3D volume data with different contrasts, but the observers may want to view various contrasts in the same 3D volume. The conventional 2D medical fusion methods can only fuse the 3D volume data layer by layer, which may lead to the loss of interframe correlative information. In this paper, a novel 3D medical volume fusion method based on 3D band limited shearlet transform (3D BLST) is proposed. And this method is evaluated upon MRI T2* and quantitative susceptibility mapping data of 4 human brains. Both the perspective impression and the quality indices indicate that the proposed method has a better performance than conventional 2D wavelet, DT CWT, and 3D wavelet, DT CWT based fusion methods. PMID:24817880

  16. MRI Volume Fusion Based on 3D Shearlet Decompositions

    PubMed Central

    Duan, Chang; Wang, Shuai; Wang, Xue Gang; Huang, Qi Hong

    2014-01-01

    Nowadays many MRI scans can give 3D volume data with different contrasts, but the observers may want to view various contrasts in the same 3D volume. The conventional 2D medical fusion methods can only fuse the 3D volume data layer by layer, which may lead to the loss of interframe correlative information. In this paper, a novel 3D medical volume fusion method based on 3D band limited shearlet transform (3D BLST) is proposed. And this method is evaluated upon MRI T2* and quantitative susceptibility mapping data of 4 human brains. Both the perspective impression and the quality indices indicate that the proposed method has a better performance than conventional 2D wavelet, DT CWT, and 3D wavelet, DT CWT based fusion methods. PMID:24817880

  17. Pressing the sparsity advantage via data-based decomposition

    NASA Astrophysics Data System (ADS)

    Riasati, Vahid R.; Andress, Laura; Grishin, Denis

    2015-05-01

    Numerous ℓ1-norm reconstruction techniques have enabled exact data reconstruction with high probability from `k-sparse' data. In this work, we utilize the adaptive Gram-Schmidt technique to test the limits of compressed sensing (CS) based reconstruction using total variation. The Projection-Slice Synthetic Discriminant Function (PSDF) filter naturally lends itself to compressive sensing techniques due to the inherent dimensionality reductions of the filter generated by the projection-slice theorem, or PST. In this brief study we utilize CS for the PSDF by constructing the PSDF impulse response while iteratively reducing the AGS error terms. The truncation prioritizes the vectors with regard to the error energy levels associated with the representation of the data in the Gram- Schmidt process.

  18. Novel approach for predicting the joint effects based on the enzyme-catalyzed kinetics.

    PubMed

    Zheng, Min; Yao, Zhifeng; Lin, Zhifen; Fang, Shuxia; Song, Chunlei; Liu, Ying

    2016-04-15

    Organisms are exposed to mixtures of multiple contaminants and it is necessary to build prediction models for the joint effects, considering the high expense and the complexity of the traditional toxicity testing and the flood occurrence of environmental chemical pollutants. In this study, a new method for predicting the joint effects was developed and corresponding prediction models were constructed based on the kinetic models of enzyme-catalyzed reactions. While, we utilized Vibrio fischeri, Escherichia coli and Bacillus subtilis as model organisms and determined the chronic toxicity of the binary mixtures of sulfonamides (SAs) and sulfonamide potentiators (SAPs) (SA+SAP), the mixtures of two kinds of sulfonamides (SA+SA) and the binary mixtures of sulfonamide potentiators (SAPs) and tetracyclines (TCs) (SAP+TC) respectively. Finally, corresponding mixture toxicity data was utilized to fit and verify the prediction models for different joint effects. PMID:26826939

  19. Efficient Electrochemical Water Splitting Catalyzed by Electrodeposited Nickel Diselenide Nanoparticles Based Film.

    PubMed

    Pu, Zonghua; Luo, Yonglan; Asiri, Abdullah M; Sun, Xuping

    2016-02-01

    In this contribution, we demonstrate that electrodeposited nickel diselenide nanoparticles based film on conductive Ti plate (NiSe2/Ti) is an efficient and robust electrode to catalyze both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in basic media. Electrochemical experiments show this electrode affords 10 mA cm(-2) at HER overpotential of 96 mV and 20 mA cm(-2) at OER overpotential of 295 mV with strong durability in 1.0 M KOH. The corresponding two-electrode alkaline water electrolyzer requires a cell voltage of only 1.66 V to achieve 10 mA cm(-2) water-splitting current. This development provides us an attractive non-noble-metal catalyst toward overall water splitting applications. PMID:26824878

  20. A Superacid-Catalyzed Synthesis of Porous Membranes Based on Triazine Frameworks for CO2 Separation

    SciTech Connect

    Zhu, X; Tian, CC; Mahurin, SM; Chai, SH; Wang, CM; Brown, S; Veith, GM; Luo, HM; Liu, HL; Dai, S

    2012-06-27

    A general strategy for the synthesis of porous, fluorescent, triazine-framework-based membranes with intrinsic porosity through an aromatic nitrile trimerization reaction is presented. The essence of this strategy lies in the use of a superacid to catalyze the cross-linking reaction efficiently at a low temperature, allowing porous polymer membrane architectures to be facilely derived. With fiinctionalized triazine units, the membrane exhibits an increased selectivity for membrane separation of CO2 over N-2. The good ideal CO2/N-2 selectivity of 29 +/- 2 was achieved with a CO2 permeability of 518 +/- 25 barrer. Through this general synthesis protocol, a new class of porous polymer membranes with tunable functionalities and porosities can be derived, significantly expanding the currently limited library of polymers with intrinsic microporosity for synthesizing functional membranes in separation, catalysis, and energy storage/conversion.

  1. Multiobjective biogeography based optimization algorithm with decomposition for community detection in dynamic networks

    NASA Astrophysics Data System (ADS)

    Zhou, Xu; Liu, Yanheng; Li, Bin; Sun, Geng

    2015-10-01

    Identifying community structures in static network misses the opportunity to capture the evolutionary patterns. So community detection in dynamic network has attracted many researchers. In this paper, a multiobjective biogeography based optimization algorithm with decomposition (MBBOD) is proposed to solve community detection problem in dynamic networks. In the proposed algorithm, the decomposition mechanism is adopted to optimize two evaluation objectives named modularity and normalized mutual information simultaneously, which measure the quality of the community partitions and temporal cost respectively. A novel sorting strategy for multiobjective biogeography based optimization is presented for comparing quality of habitats to get species counts. In addition, problem-specific migration and mutation model are introduced to improve the effectiveness of the new algorithm. Experimental results both on synthetic and real networks demonstrate that our algorithm is effective and promising, and it can detect communities more accurately in dynamic networks compared with DYNMOGA and FaceNet.

  2. 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

  3. Materials design of dilute magnetic semiconductors based on the control of spinodal decomposition

    NASA Astrophysics Data System (ADS)

    Sato, Kazunori

    2010-03-01

    Recently, spinodal decomposition phenomena attract much attention in the fabrication of dilute magnetic semiconductors (DMS). Many experimental results indicate that the magnetic properties of DMS are strongly affected by the occurrence of spinodal decomposition [1], thus people are now interested in controlling the magnetic properties of DMS by tuning the spinodal decomposition. In this talk, I will discuss spinodal decomposition in DMS based on the first-principles calculation. The electronic structure of DMS is calculated by using the Korringa-Kohn-Rostoker coherent potential approximation method. Based on the calculated mixing energy I will discuss phase diagrams of DMS systems and their chemical trends. By using the calculated chemical pair interactions between magnetic impurities in DMS, the self-organization of nano-structures in DMS of the nano-structures are simulated by using the Monte Carlo method. The simulation results indicate that we can control super-paramagnetic blocking temperature by optimizing the size of the nano-structures by changing the crystal growth condition [2]. Next, I will propose co-doping method to control solubility limit of magnetic impurities in DMS. From the total energy calculations, it is shown that the solubility of magnetic impurities is strongly enhanced under the existence of interstitial donors [2]. However, due to the compensation of holes by the co-dopants, the ferromagnetism is suppressed. Based on the kinetic Monte Carlo simulations, we propose low temperature annealing method to remove interstitial co-dopants for recovering the ferromagnetism. By combining the co-doping and the low temperature annealing, we can fabricate DMS with high concentration of magnetic impurities which should show high-Tc. This work is based on the collaboration with H. Fujii, L. Bergqvist, P. H. Dederichs and H. Katayama-Yoshida.[4pt] [1] A. Bonanni, Semicond. Sci. Technol. 22 (2007) R41.[0pt] [2] K. Sato et al., Rev. Mod. Phys. Phys

  4. 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. PMID:27468392

  5. Base-Free Conditions for Rhodium-Catalyzed Asymmetric Arylation To Produce Stereochemically Labile α-Aryl Ketones.

    PubMed

    Dou, Xiaowei; Lu, Yixin; Hayashi, Tamio

    2016-06-01

    The asymmetric arylation of 2,2-dialkyl cyclopent-4-ene-1,3-diones with aryl boronic acids was found to be efficiently catalyzed by a chiral diene-rhodium μ-chloro dimer, [{RhCl((R)-diene*)}2 ], in the absence of bases in toluene/H2 O to give 2,2-dialkyl 4-aryl cyclopentane-1,3-diones in high yields with high enantioselectivity. Such compounds can not be obtained with high enantiomeric purity under the standard basic conditions used for rhodium-catalyzed asymmetric arylation because the α-aryl ketone products undergo racemization under the basic conditions. PMID:27100902

  6. CPUF - a chemical-structure-based polyurethane foam decomposition and foam response model.

    SciTech Connect

    Fletcher, Thomas H. (Brigham Young University, Provo, UT); Thompson, Kyle Richard; Erickson, Kenneth L.; Dowding, Kevin J.; Clayton, Daniel (Brigham Young University, Provo, UT); Chu, Tze Yao; Hobbs, Michael L.; Borek, Theodore Thaddeus III

    2003-07-01

    A Chemical-structure-based PolyUrethane Foam (CPUF) decomposition model has been developed to predict the fire-induced response of rigid, closed-cell polyurethane foam-filled systems. The model, developed for the B-61 and W-80 fireset foam, is based on a cascade of bondbreaking reactions that produce CO2. Percolation theory is used to dynamically quantify polymer fragment populations of the thermally degrading foam. The partition between condensed-phase polymer fragments and gas-phase polymer fragments (i.e. vapor-liquid split) was determined using a vapor-liquid equilibrium model. The CPUF decomposition model was implemented into the finite element (FE) heat conduction codes COYOTE and CALORE, which support chemical kinetics and enclosure radiation. Elements were removed from the computational domain when the calculated solid mass fractions within the individual finite element decrease below a set criterion. Element removal, referred to as ?element death,? creates a radiation enclosure (assumed to be non-participating) as well as a decomposition front, which separates the condensed-phase encapsulant from the gas-filled enclosure. All of the chemistry parameters as well as thermophysical properties for the CPUF model were obtained from small-scale laboratory experiments. The CPUF model was evaluated by comparing predictions to measurements. The validation experiments included several thermogravimetric experiments at pressures ranging from ambient pressure to 30 bars. Larger, component-scale experiments were also used to validate the foam response model. The effects of heat flux, bulk density, orientation, embedded components, confinement and pressure were measured and compared to model predictions. Uncertainties in the model results were evaluated using a mean value approach. The measured mass loss in the TGA experiments and the measured location of the decomposition front were within the 95% prediction limit determined using the CPUF model for all of the

  7. Ultrasensitive electrochemical detection of breast cancer cells based on DNA-rolling-circle-amplification-directed enzyme-catalyzed polymerization.

    PubMed

    Sheng, Qinglin; Cheng, Ni; Bai, Wushuang; Zheng, Jianbin

    2015-02-01

    An ultrasensitive cytosensor based on DNA-rolling-circle-amplification-directed enzyme-catalyzed polymerization is demonstrated. As a proof of concept, the cytosensor shows excellent sensitivity for MCF-7 cell detection with a lower detection limit of 12 cells per mL. PMID:25536491

  8. Solid-base loaded WO3 photocatalyst for decomposition of harmful organics under visible light irradiation

    NASA Astrophysics Data System (ADS)

    Kako, Tetsuya; Meng, Xianguang; Ye, Jinhua

    2015-10-01

    Composite of NaBiO3-loaded WO3 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 NaBiO3 can be estimated, respectively, as +2.5 V and -0.1 to 0 V. Furthermore, WO3, NaBiO3, 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 CO2 than individual WO3 or NaBiO3 because of charge separation promotion and the base effect of NaBiO3.

  9. Fringe removal for continuous-wave terahertz imaging based on cartoon-texture decomposition

    NASA Astrophysics Data System (ADS)

    Qiao, Lingbo; Wang, Yingxin; Zhao, Ziran; Chen, Zhiqiang

    2013-08-01

    Continuous-wave (CW) terahertz (THz) imaging system has advantages of high power, compact structure and low cost, thus having been investigated for widespread applications. In typical reflection mode of CW imaging, the obtained image is usually degraded by repeated fringes, which is caused by interference phenomenon. The undesired interference signal originates from the reflection of surfaces of samples and lenses. When the samples are titled placed or their surfaces are uneven, the detected signal intensity is fluctuant even if the same sample lies in different positions. Therefore, small-sized or weekly absorbing objects are hard to be distinguished. Based on cartoon-texture decomposition, we propose a practical method to restore CW THz reflection images. After decomposition, the fringes and the objects are separated. In order to preserve edges, sharpening and fusion steps are employed respectively. The object in the final image is obvious with little loss of information.

  10. Automated decomposition algorithm for Raman spectra based on a Voigt line profile model.

    PubMed

    Chen, Yunliang; Dai, Liankui

    2016-05-20

    Raman spectra measured by spectrometers usually suffer from band overlap and random noise. In this paper, an automated decomposition algorithm based on a Voigt line profile model for Raman spectra is proposed to solve this problem. To decompose a measured Raman spectrum, a Voigt line profile model is introduced to parameterize the measured spectrum, and a Gaussian function is used as the instrumental broadening function. Hence, the issue of spectral decomposition is transformed into a multiparameter optimization problem of the Voigt line profile model parameters. The algorithm can eliminate instrumental broadening, obtain a recovered Raman spectrum, resolve overlapping bands, and suppress random noise simultaneously. Moreover, the recovered spectrum can be decomposed to a group of Lorentzian functions. Experimental results on simulated Raman spectra show that the performance of this algorithm is much better than a commonly used blind deconvolution method. The algorithm has also been tested on the industrial Raman spectra of ortho-xylene and proved to be effective. PMID:27411136

  11. Cure reaction of epoxy resins catalyzed by graphite-based nanofiller

    NASA Astrophysics Data System (ADS)

    Corcione, C. Esposito; Acocella, Maria Rosaria; Giuri, Antonella; Maffezzoli, Alfonso; Guerra, Gaetano

    2015-12-01

    A significant effort was directed to the synthesis of graphene stacks/epoxy nanocomposites and to the analysis of the effect of a graphene precursor on cure reaction of a model epoxy matrix. A comparative thermal analysis of epoxy resins filled with an exfoliated graphite oxide eGO were conducted. The main aim was to understand the molecular origin of the influence of eGO on the Tg of epoxy resins. The higher Tg values previously observed for low curing temperatures, for epoxy resins with graphite-based nanofillers, were easily rationalized by a catalytic activity of graphitic layers on the reaction between the epoxy and amine groups of the resin, which leads to higher crosslinking density in milder conditions. A kinetic analysis of the cure mechanism of the epoxy resin associated to the catalytical activity of the graphite based filler was performed by isothermal DSC measurements. The DSC results showed that the addition of graphite based filler greatly increased the enthalpy of epoxy reaction and the reaction rate, confirming the presence of a catalytic activity of graphitic layers on the crosslinking reaction between the epoxy resin components (epoxide oligomer and di-amine). A kinetic modelling analysis, arising from an auto-catalyzed reaction mechanism, was finally applied to isothermal DSC data, in order to predict the cure mechanism of the epoxy resin in presence of the graphite based nanofiller.

  12. Advances on Empirical Mode Decomposition-based Time-Frequency Analysis Methods in Hydrocarbon Detection

    NASA Astrophysics Data System (ADS)

    Chen, H. X.; Xue, Y. J.; Cao, J.

    2015-12-01

    Empirical mode decomposition (EMD), which is a data-driven adaptive decomposition method and is not limited by time-frequency uncertainty spreading, is proved to be more suitable for seismic signals which are nonlinear and non-stationary. Compared with other Fourier-based and wavelet-based time-frequency methods, EMD-based time-frequency methods have higher temporal and spatial resolution and yield hydrocarbon interpretations with more statistical significance. Empirical mode decomposition algorithm has now evolved from EMD to Ensemble EMD (EEMD) to Complete Ensemble EMD (CEEMD). Even though EMD-based time-frequency methods offer many promising features for analyzing and processing geophysical data, there are some limitations or defects in EMD-based time-frequency methods. This presentation will present a comparative study on hydrocarbon detection using seven EMD-based time-frequency analysis methods, which include: (1) first, EMD combined with Hilbert transform (HT) as a time-frequency analysis method is used for hydrocarbon detection; and (2) second, Normalized Hilbert transform (NHT) and HU Methods respectively combined with HT as improved time-frequency analysis methods are applied for hydrocarbon detection; and (3) three, EMD combined with Teager-Kaiser energy (EMD/TK) is investigated for hydrocarbon detection; and (4) four, EMD combined with wavelet transform (EMDWave) as a seismic attenuation estimation method is comparatively studied; and (5) EEMD- and CEEMD- based time-frequency analysis methods used as highlight volumes technology are studied. The differences between these methods in hydrocarbon detection will be discussed. The question of getting a meaningful instantaneous frequency by HT and mode-mixing issues in EMD will be analysed. The work was supported by NSFC under grant Nos. 41430323, 41404102 and 41274128.

  13. Dual Lewis Acid/Lewis Base Catalyzed Acylcyanation of Aldehydes: A Mechanistic Study.

    PubMed

    Laurell Nash, Anna; Hertzberg, Robin; Wen, Ye-Qian; Dahlgren, Björn; Brinck, Tore; Moberg, Christina

    2016-03-01

    A mechanistic investigation, which included a Hammett correlation analysis, evaluation of the effect of variation of catalyst composition, and low-temperature NMR spectroscopy studies, of the Lewis acid-Lewis base catalyzed addition of acetyl cyanide to prochiral aldehydes provides support for a reaction route that involves Lewis base activation of the acyl cyanide with formation of a potent acylating agent and cyanide ion. The cyanide ion adds to the carbonyl group of the Lewis acid activated aldehyde. O-Acylation by the acylated Lewis base to form the final cyanohydrin ester occurs prior to decomplexation from titanium. For less reactive aldehydes, the addition of cyanide is the rate-determining step, whereas, for more reactive, electron-deficient aldehydes, cyanide addition is rapid and reversible and is followed by rate-limiting acylation. The resting state of the catalyst lies outside the catalytic cycle and is believed to be a monomeric titanium complex with two alcoholate ligands, which only slowly converts into the product. PMID:26592522

  14. Mechanistic studies of the base-catalyzed hydrolysis of pyridine nucleotides

    SciTech Connect

    Johnson, R.W.; Marschner, T.M.; Malver, O.; Sleath, P.R.; Oppenheimer, N.J.

    1986-05-01

    The pH dependence of base-catalyzed hydrolysis of ..beta..-NAD has been determined over the range from pH 8.5 to 13.5. Below pH 10.5 the reaction rate constant is linearly dependent on hydroxide concentration whereas above pH 12.5 the reaction becomes pH independent. A nonlinear least squares fit of the data yields a pK/sub a/ of 12.2, corresponding to the ionization of the 2'-OH of the nicotinamide ribose as determined by /sup 1/H and /sup 13/C NMR. Based on these data, as well as solvent isotope effects and data from previous investigators, the authors propose that ionization of the ribose diol stabilizes an oxonium ion intermediate, thus, facilitating S/sub N/1 hydrolysis of the nicotinamide-glycosyl bond with release of nicotinamide. Further evidence for this mechanism is provided by investigation of the 2',3'-O-isopropylidine nicotinamide riboside. This compound is found to be highly resistant to hydrolysis in base and product analysis by NMR reveals that only 2-hydroxy-3-pyridinecarboxaldehyde is released. The influence on the reaction rate and mechanism resulting from other modifications of the sugar moiety of nicotinamide nucleosides are discussed.

  15. Palladium-Based Nanomaterials: A Platform to Produce Reactive Oxygen Species for Catalyzing Oxidation Reactions.

    PubMed

    Long, Ran; Huang, Hao; Li, Yaping; Song, Li; Xiong, Yujie

    2015-11-25

    Oxidation reactions by molecular oxygen (O2 ) over palladium (Pd)-based nanomaterials are a series of processes crucial to the synthesis of fine chemicals. In the past decades, investigations of related catalytic materials have mainly been focused on the synthesis of Pd-based nanomaterials from the angle of tailoring their surface structures, compositions and supporting materials, in efforts to improve their activities in organic reactions. From the perspective of rational materials design, it is imperative to address the fundamental issues associated with catalyst performance, one of which should be oxygen activation by Pd-based nanomaterials. Here, the fundamentals that account for the transformation from O2 to reactive oxygen species over Pd, with a focus on singlet O2 and its analogue, are introduced. Methods for detecting and differentiating species are also presented to facilitate future fundamental research. Key factors for tuning the oxygen activation efficiencies of catalytic materials are then outlined, and recent developments in Pd-catalyzed oxygen-related organic reactions are summarized in alignment with each key factor. To close, we discuss the challenges and opportunities for photocatalysis research at this unique intersection as well as the potential impact on other research fields. PMID:26422795

  16. Color information verification system based on singular value decomposition in gyrator transform domains

    NASA Astrophysics Data System (ADS)

    Abuturab, Muhammad Rafiq

    2014-06-01

    A new color image security system based on singular value decomposition (SVD) in gyrator transform (GT) domains is proposed. In the encryption process, a color image is decomposed into red, green and blue channels. Each channel is independently modulated by random phase masks and then separately gyrator transformed at different parameters. The three gyrator spectra are joined by multiplication to get one gray ciphertext. The ciphertext is separated into U, S, and V parts by SVD. All the three parts are individually gyrator transformed at different transformation angles. The three encoded information can be assigned to different authorized users for highly secure verification. Only when all the authorized users place the U, S, and V parts in correct multiplication order in the verification system, the correct information can be obtained with all the right keys. In the proposed method, SVD offers one-way asymmetrical decomposition algorithm and it is an optimal matrix decomposition in a least-square sense. The transformation angles of GT provide very sensitive additional keys. The pre-generated keys for red, green and blue channels are served as decryption (private) keys. As all the three encrypted parts are the gray scale ciphertexts with stationary white noise distributions, which have camouflage property to some extent. These advantages enhance the security and robustness. Numerical simulations are presented to support the viability of the proposed verification system.

  17. Security-enhanced asymmetric optical cryptosystem based on coherent superposition and equal modulus decomposition

    NASA Astrophysics Data System (ADS)

    Cai, Jianjun; Shen, Xueju; Lin, Chao

    2016-01-01

    We propose a security-enhanced asymmetric optical cryptosystem based on coherent superposition and equal modulus decomposition by combining full phase encryption technique with our previous cryptosystem. In the encryption process, the original image is phase encoded rather than bonded with a RPM. In the decryption process, two phase-contrast filters (PCFs) are employed to obtain the plaintext. As a consequence, the new cryptosystem guarantees high-level security to the attack based on iterative Fourier transform and maintains the good performance of our previous cryptosystem, especially conveniences. Some numerical simulations are presented to verify the validity and the performance of the modified cryptosystem.

  18. Improved Model-Based Polarimetric Decomposition Using the POlINSAR Similarity Parameter

    NASA Astrophysics Data System (ADS)

    Latrache, H.; Ouarzeddine, M.; Souissi, B.

    2016-06-01

    In this paper, we present a new approach to solve the problem of volume scattering ambiguity in urban area, for that we propose a volume model based on the polarimetric interferometric similarity parameter (PISP) . The new model is more adaptive and fits better with both forest and oriented built-up areas. Thereby, a new model-based polarimetric decomposition scheme is developed. To test the performance of the proposed method ESAR PolInSAR L bande data of Oberpfaffenhofen, Germany is used. Comparison experiments show that the proposed method gives good results, since all the oriented built-up areas are well discriminated as double or odd bounce structures.

  19. Hetropolyacid-Catalyzed Oxidation of Glycerol into Lactic Acid under Mild Base-Free Conditions.

    PubMed

    Tao, Meilin; Yi, Xiaohu; Delidovich, Irina; Palkovits, Regina; Shi, Junyou; Wang, Xiaohong

    2015-12-21

    Lactic acid (LA) is a versatile platform molecule owing to the opportunity to transform this compound into useful chemicals and materials. Therefore, efficient production of LA based on inexpensive renewable feedstocks is of utmost importance for insuring its market availability. Herein, we report the efficient conversion of glycerol into LA catalyzed by heteropolyacids (HPAs) under mild base-free conditions. The catalytic performance of molecular HPAs appears to correlate with their redox potential and Brønsted acidity. Namely, H3 PMo(12)O(40) (HPMo) exhibits the best selectivity towards LA (90 %) with 88 % conversion of glycerol. Loading of HPMo onto a carbon support (HPMo/C) further improves LA productivity resulting in 94 % selectivity at 98 % conversion under optimized reaction conditions. The reaction takes place through the formation of dihydroxyacetone/glyceraldehyde and pyruvaldehyde as intermediates. No leaching of HPMo was observed under the applied reaction conditions and HPMo/C could be recycled 5 times without significant loss of activity. PMID:26611678

  20. Two-step fabrication of self-catalyzed Ga-based semiconductor nanowires on Si by molecular-beam epitaxy

    NASA Astrophysics Data System (ADS)

    Yu, Xuezhe; Li, Lixia; Wang, Hailong; Xiao, Jiaxing; Shen, Chao; Pan, Dong; Zhao, Jianhua

    2016-05-01

    For the epitaxial growth of Ga-based III-V semiconductor nanowires (NWs) on Si, Ga droplets could provide a clean and compatible solution in contrast to the common Au catalyst. However, the use of Ga droplets is rather limited except for that in Ga-catalyzed GaAs NW studies in a relatively narrow growth temperature (Ts) window around 620 °C on Si. In this paper, we have investigated the two-step growth of Ga-catalyzed III-V NWs on Si (111) substrates by molecular-beam epitaxy. First, by optimizing the surface oxide, vertically aligned GaAs NWs with a high yield are obtained at Ts = 620 °C. Then a two-temperature procedure is adopted to preserve Ga droplets at lower Ts, which leads to an extension of Ts down to 500 °C for GaAs NWs. Based on this procedure, systematic morphological and structural studies for Ga-catalyzed GaAs NWs in the largest Ts range could be presented. Then within the same growth scheme, for the first time, we demonstrate Ga-catalyzed GaAs/GaSb heterostructure NWs. These GaSb NWs are axially grown on the GaAs NW sections and are pure zinc-blende single crystals. Compositional measurements confirm that the catalyst particles indeed mainly consist of Ga and GaSb sections are of high purity but with a minor composition of As. In the end, we present GaAsSb NW growth with a tunable Sb composition. Our results provide useful information for the controllable synthesis of multi-compositional Ga-catalyzed III-V semiconductor NWs on Si for heterogeneous integration.For the epitaxial growth of Ga-based III-V semiconductor nanowires (NWs) on Si, Ga droplets could provide a clean and compatible solution in contrast to the common Au catalyst. However, the use of Ga droplets is rather limited except for that in Ga-catalyzed GaAs NW studies in a relatively narrow growth temperature (Ts) window around 620 °C on Si. In this paper, we have investigated the two-step growth of Ga-catalyzed III-V NWs on Si (111) substrates by molecular-beam epitaxy. First, by

  1. Two-step fabrication of self-catalyzed Ga-based semiconductor nanowires on Si by molecular-beam epitaxy.

    PubMed

    Yu, Xuezhe; Li, Lixia; Wang, Hailong; Xiao, Jiaxing; Shen, Chao; Pan, Dong; Zhao, Jianhua

    2016-05-19

    For the epitaxial growth of Ga-based III-V semiconductor nanowires (NWs) on Si, Ga droplets could provide a clean and compatible solution in contrast to the common Au catalyst. However, the use of Ga droplets is rather limited except for that in Ga-catalyzed GaAs NW studies in a relatively narrow growth temperature (Ts) window around 620 °C on Si. In this paper, we have investigated the two-step growth of Ga-catalyzed III-V NWs on Si (111) substrates by molecular-beam epitaxy. First, by optimizing the surface oxide, vertically aligned GaAs NWs with a high yield are obtained at Ts = 620 °C. Then a two-temperature procedure is adopted to preserve Ga droplets at lower Ts, which leads to an extension of Ts down to 500 °C for GaAs NWs. Based on this procedure, systematic morphological and structural studies for Ga-catalyzed GaAs NWs in the largest Ts range could be presented. Then within the same growth scheme, for the first time, we demonstrate Ga-catalyzed GaAs/GaSb heterostructure NWs. These GaSb NWs are axially grown on the GaAs NW sections and are pure zinc-blende single crystals. Compositional measurements confirm that the catalyst particles indeed mainly consist of Ga and GaSb sections are of high purity but with a minor composition of As. In the end, we present GaAsSb NW growth with a tunable Sb composition. Our results provide useful information for the controllable synthesis of multi-compositional Ga-catalyzed III-V semiconductor NWs on Si for heterogeneous integration. PMID:27194599

  2. Enzyme-catalyzed synthesis of unsaturated aliphatic polyesters based on green monomers from renewable resources.

    PubMed

    Jiang, Yi; Woortman, Albert J J; van Ekenstein, Gert O R Alberda; 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

  3. 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

  4. A novel signal-on electrochemical DNA sensor based on target catalyzed hairpin assembly strategy.

    PubMed

    Qian, Yong; Tang, Daoquan; Du, Lili; Zhang, Yanzhuo; Zhang, Lixian; Gao, Fenglei

    2015-02-15

    We describe a novel signal-on electrochemical DNA (E-DNA) sensing platform based on target-catalyzed hairpin assembly. The thiolated modified molecular beacon 1 (MB1) was first immobilized onto the Au electrode (GE) surface and then target DNA hybridized to the MB1, the opened MB1 assembled with the ferrocene (Fc)-labeled molecular beacon 2 to displace the target DNA, which became available for the next cycle of MB1-target hybridization. Moreover, Fc was confined close to the GE surface for efficient electron transfer, resulting in a current signal. Eventually, each target strand went through many cycles, resulting in numerous Fcs confining close to the GE, which leaded to the current of Fc dramatically increase. The observed signal gain was sufficient to achieve a demonstrated detection limit of 0.74 fM, with a wide linear dynamic range from 10(-15) to 10(-10)M and discriminated mismatched DNA from perfect matched target DNA with a high selectivity. Thus, the proposed E-DNA sensor would have a wide range of sensor applications because it is enzyme-free and simple to perform. PMID:25218101

  5. 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.

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

    SciTech Connect

    Ning, J. G.; Chu, L.; Ren, H. L.

    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. By 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.

  7. Direct decomposition of methane over SBA-15 supported Ni, Co and Fe based bimetallic catalysts

    NASA Astrophysics Data System (ADS)

    Pudukudy, Manoj; Yaakob, Zahira; Akmal, Zubair Shamsul

    2015-03-01

    Thermocatalytic decomposition of methane is an alternative route for the production of COx-free hydrogen and carbon nanomaterials. In this work, a set of novel Ni, Co and Fe based bimetallic catalysts supported over mesoporous SBA-15 was synthesized by a facile wet impregnation route, characterized for their structural, textural and reduction properties and were successfully used for the methane decomposition. The fine dispersion of metal oxide particles on the surface of SBA-15, without affecting its mesoporous texture was clearly shown in the low angle X-ray diffraction patterns and the transmission electron microscopy (TEM) images. The nitrogen sorption analysis showed the reduced specific surface area and pore volume of SBA-15, after metal loading due to the partial filling of hexagonal mesopores by metal species. The results of methane decomposition experiments indicated that all of the bimetallic catalysts were highly active and stable for the reaction at 700 °C even after 300 min of time on stream (TOS). However, a maximum hydrogen yield of ∼56% was observed for the NiCo/SBA-15 catalyst within 30 min of TOS. A high catalytic stability was shown by the CoFe/SBA-15 catalyst with 51% of hydrogen yield during the course of reaction. The catalytic stability of the bimetallic catalysts was attributed to the formation of bimetallic alloys. Moreover, the deposited carbons were found to be in the form of a new set of hollow multi-walled nanotubes with open tips, indicating a base growth mechanism, which confirm the selectivity of SBA-15 supported bimetallic catalysts for the formation of open tip carbon nanotubes. The Raman spectroscopic and thermogravimetric analysis of the deposited carbon nanotubes over the bimetallic catalysts indicated their higher graphitization degree and oxidation stability.

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

    SciTech Connect

    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 two 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.

  9. Kinetics and mechanism of the base-catalyzed rearrangement and hydrolysis of ezetimibe.

    PubMed

    Baťová, Jana; Imramovský, Aleš; HájÍček, Josef; Hejtmánková, Ludmila; Hanusek, Jiří

    2014-08-01

    The pH-rate profile of the pseudo-first-order rate constants for the rearrangement and hydrolysis of Ezetimibe giving (2R,3R,6S)-N,6-bis(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-3-carboxamide (2) as the main product at pH of less than 12.5 and the mixture of 2 and 5-(4-fluorophenyl)-5-hydroxy-2-[(4-fluorophenylamino)-(4-hydroxyphenyl)methyl]-pentanoic acid (3) at pH of more than 12.5 in aqueous tertiary amine buffers and in sodium hydroxide solutions at ionic strength I = 0.1 mol L(-1) (KCl) and at 39 °C is reported. No buffer catalysis was observed and only specific base catalysis is involved. The pH-rate profile is more complex than the pH-rate profiles for the hydrolysis of simple β-lactams and it contains several breaks. Up to pH 9, the log k(obs) linearly increases with pH, but between pH 9 and 11 a distinct break downwards occurs and the values of log k(obs) slightly decrease with increasing pH of the medium. At pH of approximately 13, another break upwards occurs that corresponds to the formation of compound 3 that is slowly converted to (2R,3R,6S)-6-(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-3-carboxylic acid (4). The kinetics of base-catalyzed hydrolysis of structurally similar azetidinone is also discussed. PMID:24985565

  10. High temperature electrical conductivity and thermal decomposition of phenolic- and silicon-based dielectrics for fireset housings

    SciTech Connect

    Johnson, R.T. Jr.; Biefeld, R.M.

    1981-08-01

    The temperature dependence of the electrical conductivity and thermal decomposition characteristics of several phenolic- and silicone-based materials of interest for fireset case housings have been measured to 600 to 700/sup 0/C. The materials are phenolic or silicone resins reinforced with glass chopped fabric or cloth. The conductivity temperature dependence was measured during decomposition in a nitrogen atmosphere at a heating rate of approx. 10/sup 0/C/minute. Applied electric fields were from 4 x 10/sup 2/ to 4 x 10/sup 3/ volts/cm. Thermal decomposition characteristics were investigated by mass spectroscopy in vacuum and thermal gravimetric analysis in nitrogen and air. Nearly ohmic voltage-current characteristics were obtained, except where decomposition and/or outgassing was pronounced.

  11. Dip-separated structural filtering using seislet transform and adaptive empirical mode decomposition based dip filter

    NASA Astrophysics Data System (ADS)

    Chen, Yangkang

    2016-07-01

    The seislet transform has been demonstrated to have a better compression performance for seismic data compared with other well-known sparsity promoting transforms, thus it can be used to remove random noise by simply applying a thresholding operator in the seislet domain. Since the seislet transform compresses the seismic data along the local structures, the seislet thresholding can be viewed as a simple structural filtering approach. Because of the dependence on a precise local slope estimation, the seislet transform usually suffers from low compression ratio and high reconstruction error for seismic profiles that have dip conflicts. In order to remove the limitation of seislet thresholding in dealing with conflicting-dip data, I propose a dip-separated filtering strategy. In this method, I first use an adaptive empirical mode decomposition based dip filter to separate the seismic data into several dip bands (5 or 6). Next, I apply seislet thresholding to each separated dip component to remove random noise. Then I combine all the denoised components to form the final denoised data. Compared with other dip filters, the empirical mode decomposition based dip filter is data-adaptive. One only needs to specify the number of dip components to be separated. Both complicated synthetic and field data examples show superior performance of my proposed approach than the traditional alternatives. The dip-separated structural filtering is not limited to seislet thresholding, and can also be extended to all those methods that require slope information.

  12. 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.

  13. 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

  14. Dip-separated structural filtering using seislet transform and adaptive empirical mode decomposition based dip filter

    NASA Astrophysics Data System (ADS)

    Chen, Yangkang

    2016-04-01

    The seislet transform has been demonstrated to have a better compression performance for seismic data compared with other well-known sparsity promoting transforms, thus it can be used to remove random noise by simply applying a thresholding operator in the seislet domain. Since the seislet transform compresses the seismic data along the local structures, the seislet thresholding can be viewed as a simple structural filtering approach. Because of the dependence on a precise local slope estimation, the seislet transform usually suffers from low compression ratio and high reconstruction error for seismic profiles that have dip conflicts. In order to remove the limitation of seislet thresholding in dealing with conflicting-dip data, I propose a dip-separated filtering strategy. In this method, I first use an adaptive empirical mode decomposition based dip filter to separate the seismic data into several dip bands (5 or 6). Next, I apply seislet thresholding to each separated dip component to remove random noise. Then I combine all the denoised components to form the final denoised data. Compared with other dip filters, the empirical mode decomposition based dip filter is data-adaptive. One only need to specify the number of dip components to be separated. Both complicated synthetic and field data examples show superior performance of my proposed approach than the traditional alternatives. The dip-separated structural filtering is not limited to seislet thresholding, and can also be extended to all those methods that require slope information.

  15. Synthesis of chiral biphenol-based diphosphonite ligands and their application in palladium-catalyzed intermolecular asymmetric allylic amination reactions.

    PubMed

    Shi, Ce; Chien, Chih-Wei; Ojima, Iwao

    2011-02-01

    A library of new 2,2'-bis(diphenylphosphinoyloxy)-1,1'-binaphthyl (binapo)-type chiral diphosphonite ligands was designed and synthesized based on chiral 3,3',5,5',6,6'-hexasubstituted biphenols. These bop ligands have exhibited excellent efficiency in a palladium-catalyzed intermolecular allylic amination reaction, which provides a key intermediate for the total synthesis of Strychnos indole alkaloids with enantiopurities of up to 96% ee. PMID:21254441

  16. V-L decomposition of a novel full-waveform lidar system based on virtual instrument technique

    NASA Astrophysics Data System (ADS)

    Xu, Fan; Wang, Yuan-Qing

    2015-10-01

    A novel three-dimensional (3D) imaging lidar system which is based on a virtual instrument technique is introduced in this paper. The main characteristics of the system include: the capability of modeling a 3D object in accordance with the actual one by connecting to a geographic information system (GIS), and building the scene for the lidar experiment including the simulation environment. The simulation environment consists of four parts: laser pulse, atmospheric transport, target interaction, and receiving unit. Besides, the system provides an interface for the on-site experiment. In order to process the full waveform, we adopt the combination of pulse accumulation and wavelet denoising for signal enhancement. We also propose an optimized algorithm for data decomposition: the V-L decomposition method, which combines Vondrak smoothing and laser-template based fitting. Compared with conventional Gaussian decomposition, the new method brings an improvement in both precision and resolution of data decomposition. After applying V-L decomposition to the lidar system, we present the 3D reconstructed model to demonstrate the decomposition method. Project supported by the National Natural Science Foundation of China (Grant No. 608320036).

  17. FETI Prime Domain Decomposition base Parallel Iterative Solver Library Ver.1.0

    Energy Science and Technology Software Center (ESTSC)

    2003-09-15

    FETI Prime is a library for the iterative solution of linear equations in solid and structural mechanics. The algorithm employs preconditioned conjugate gradients, with a domain decomposition-based preconditioner. The software is written in C++ and is designed for use with massively parallel computers, using MPI. The algorithm is based on the FETI-DP method, with additional capabilities for handling constraint equations, as well as interfacing with the Salinas structural dynamics code and the Finite Element Interfacemore » (FEI) library. Practical Application: FETI Prime is designed for use with finite element-based simulation codes for solid and structural mechanics. The solver uses element matrices, connectivity information, nodal information, and force vectors computed by the host code and provides back the solution to the linear system of equations, to the user specified level of accuracy, The library is compiled with the host code and becomes an integral part of the host code executable.« less

  18. Decomposition of Polarimetric SAR Images Based on Second- and Third-order Statics Analysis

    NASA Astrophysics Data System (ADS)

    Kojima, S.; Hensley, S.

    2012-12-01

    There are many papers concerning the research of the decomposition of polerimetric SAR imagery. Most of them are based on second-order statics analysis that Freeman and Durden [1] suggested for the reflection symmetry condition that implies that the co-polarization and cross-polarization correlations are close to zero. Since then a number of improvements and enhancements have been proposed to better understand the underlying backscattering mechanisms present in polarimetric SAR images. For example, Yamaguchi et al. [2] added the helix component into Freeman's model and developed a 4 component scattering model for the non-reflection symmetry condition. In addition, Arii et al. [3] developed an adaptive model-based decomposition method that could estimate both the mean orientation angle and a degree of randomness for the canopy scattering for each pixel in a SAR image without the reflection symmetry condition. This purpose of this research is to develop a new decomposition method based on second- and third-order statics analysis to estimate the surface, dihedral, volume and helix scattering components from polarimetric SAR images without the specific assumptions concerning the model for the volume scattering. In addition, we evaluate this method by using both simulation and real UAVSAR data and compare this method with other methods. We express the volume scattering component using the wire formula and formulate the relationship equation between backscattering echo and each component such as the surface, dihedral, volume and helix via linearization based on second- and third-order statics. In third-order statics, we calculate the correlation of the correlation coefficients for each polerimetric data and get one new relationship equation to estimate each polarization component such as HH, VV and VH for the volume. As a result, the equation for the helix component in this method is the same formula as one in Yamaguchi's method. However, the equation for the volume

  19. BASE CATALYZED DECOMPOSITION (BCD) OF PCB AND DIOXIN CONTAMINATED CONDENSATE OIL FROM THE REMEDIATION OF THE WARREN COUNTY LANDFILL, NC

    EPA Science Inventory

    In the late 1970s thousands of gallons of transformer fluid contaminated with PCBs were illegally sprayed along approximately 210 miles of North Carolina state roadways. Listed as a Superfund site, the contaminated roadway berms were excavated and disposed in an approved PCB land...

  20. 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. PMID:22991967

  1. Enzyme-free electrochemical immunosensor based on host-guest nanonets catalyzing amplification for procalcitonin detection.

    PubMed

    Shen, Wen-Jun; Zhuo, Ying; Chai, Ya-Qin; Yang, Zhe-Han; Han, Jing; Yuan, Ruo

    2015-02-25

    An enzyme-free electrochemical immunosensor based on the host-guest nanonets of N,N-bis(ferrocenoyl)-diaminoethane/β-cyclodextrins/poly(amidoamine) dendrimer-encapsulated Au nanoparticles (Fc-Fc/β-CD/PAMAM-Au) for procalcitonin (PCT) detection has been developed in this study. The signal probe was constructed as follows: amine-terminated β-CD was adsorbed to PAMAM-Au first, and then the prepared Fc-Fc was recognized by the β-CD to form stable host-guest nanonets. Next, secondary antibodies (Ab2) were attached into the formed netlike nanostructure of Fc-Fc/β-CD/PAMAM-Au by chemical absorption between PAMAM-Au and -NH2 of β-CD. Herein, the PAMAM-Au act not only as nanocarriers for anchoring large amounts of the β-CD and Ab2 but also as nanocatalysts to catalyze the oxidation of ascorbic acid (AA) for signal amplification. Moreover, the Fc-Fc could be stably immobilized by the hydrophobic inner cavity of β-CD as well as improving solubility by the hydrophilic exterior of β-CD. With the unique structure of two ferrocene units, Fc-Fc not only affords more electroactive groups to make the electrochemical response more sensitive but also plays a role of combining dispersive β-CD-functionalized PAMAM-Au to form the netlike nanostructure. Furthermore, Fc-Fc exhibits good catalytic activity for AA oxidation. When the detection solution contained AA, the synergetic catalysis of PAMAM-Au and Fc-Fc to AA oxidation could be obtained, realizing enzyme-free signal amplification. The proposed immunosensor provided a linear range from 1.80 pg/mL to 500 ng/mL for PCT detection and a detection limit of 0.36 pg/mL under optimal experimental conditions. Moreover, the immunosensor has shown potential application in clinical detection of PCT. PMID:25629216

  2. Enzyme-Catalyzed Henry Reaction in Choline Chloride-Based Deep Eutectic Solvents.

    PubMed

    Tian, Xuemei; Zhang, Suoqin; Zheng, Liangyu

    2016-01-01

    The enzyme-catalyzed Henry reaction was realized using deep eutectic solvents (DESs) as a reaction medium. The lipase from Aspergillus niger (lipase AS) showed excellent catalytic activity toward the substrates aromatic aldehydes and nitromethane in choline chloride:glycerol at a molar ratio of 1:2. Addition of 30 vol% water to DES further improved the lipase activity and inhibited DES-catalyzed transformation. A final yield of 92.2% for the lipase AS-catalyzed Henry reaction was achieved under optimized reaction conditions in only 4 h. In addition, the lipase AS activity was improved by approximately 3-fold in a DES-water mixture compared with that in pure water, which produced a final yield of only 33.4%. Structural studies with fluorescence spectroscopy showed that the established strong hydrogen bonds between DES and water may be the main driving force that affects the spatial conformation of the enzyme, leading to a change in lipase activity. The methodology was also extended to the aza-Henry reaction, which easily occurred in contrast to that in pure water. The enantioselectivity of both Henry and aza-Henry reactions was not found. However, the results are still remarkable, as we report the first use of DES as a reaction medium in a lipase-catalyzed Henry reaction. PMID:26437947

  3. 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.

  4. 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.

  5. Damping identification of lightly damped linear dynamic systems using common-base proper orthogonal decomposition

    NASA Astrophysics Data System (ADS)

    Andrianne, T.; Dimitriadis, G.

    2012-04-01

    This paper presents a new technique to identify the damping of linear systems. It is developed from the Proper Orthogonal Decomposition (POD) of the free response of the system and extended to the recently proposed Common-base POD (CPOD). The present application of CPOD considers simultaneously several free responses of the system to different initial conditions. The Eigen-decomposition of the co-variance matrix leads to a unique vector basis which is likely to contain more information about the dynamics of the system than a vector basis obtained by the classic POD technique. The ability of the technique to estimate the mode shapes and the modal damping is demonstrated on a simulated mass-spring-damper system. Two different distributions of masses are considered in order to confront the CPOD analysis to the intrinsic limitation of POD, i.e. that the mode shapes are identified exactly only if the mass matrix is proportional to the identity matrix. It is shown that the identification of the damping is still possible when the modes are not orthonormal. The robustness of the technique is demonstrated in the presence of noise in the responses of the system and through an experimental application with comparison with other identifications techniques.

  6. 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.

  7. Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory

    PubMed Central

    Bao, Peng

    2013-01-01

    An interaction energy decomposition analysis method based on the block-localized wavefunction (BLW-ED) approach is described. The first main feature of the BLW-ED method is that it combines concepts of valence bond and molecular orbital theories such that the intermediate and physically intuitive electron-localized states are variationally optimized by self-consistent field calculations. Furthermore, the block-localization scheme can be used both in wave function theory and in density functional theory, providing a useful tool to gain insights on intermolecular interactions that would otherwise be difficult to obtain using the delocalized Kohn–Sham DFT. These features allow broad applications of the BLW method to energy decomposition (BLW-ED) analysis for intermolecular interactions. In this perspective, we outline theoretical aspects of the BLW-ED method, and illustrate its applications in hydrogen-bonding and π–cation intermolecular interactions as well as metal–carbonyl complexes. Future prospects on the development of a multistate density functional theory (MSDFT) are presented, making use of block-localized electronic states as the basis configurations. PMID:21369567

  8. Anomaly detection in hyperspectral imagery based on low-rank and sparse decomposition

    NASA Astrophysics Data System (ADS)

    Cui, Xiaoguang; Tian, Yuan; Weng, Lubin; Yang, Yiping

    2014-01-01

    This paper presents a novel low-rank and sparse decomposition (LSD) based model for anomaly detection in hyperspectral images. In our model, a local image region is represented as a low-rank matrix plus spares noises in the spectral space, where the background can be explained by the low-rank matrix, and the anomalies are indicated by the sparse noises. The detection of anomalies in local image regions is formulated as a constrained LSD problem, which can be solved efficiently and robustly with a modified "Go Decomposition" (GoDec) method. To enhance the validity of this model, we adapts a "simple linear iterative clustering" (SLIC) superpixel algorithm to efficiently generate homogeneous local image regions i.e. superpixels in hyperspectral imagery, thus ensures that the background in local image regions satisfies the condition of low-rank. Experimental results on real hyperspectral data demonstrate that, compared with several known local detectors including RX detector, kernel RX detector, and SVDD detector, the proposed model can comfortably achieves better performance in satisfactory computation time.

  9. 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.

  10. Acceleration techniques for reduced-order models based on proper orthogonal decomposition

    SciTech Connect

    Cizmas, P.; Richardson, B.; Brenner, T.; O'Brien, T.; Breault, R.

    2008-01-01

    This paper presents several acceleration techniques for reduced-order models based on the proper orthogonal decomposition (POD) method. The techniques proposed herein are: (i) an algorithm for splitting the database of snapshots generated by the full-order model; (ii) a method for solving quasi-symmetrical matrices; (iii) a strategy for reducing the frequency of the projection. The acceleration techniques were applied to a POD-based reduced-order model of the twophase flows in fluidized beds. This reduced-order model was developed using numerical results from a full-order computational fluid dynamics model of a two-dimensional fluidized bed. Using these acceleration techniques the computational time of the POD model was two orders of magnitude shorter than the full-order model.

  11. An automatic abrupt information extraction method based on singular value decomposition and higher-order statistics

    NASA Astrophysics Data System (ADS)

    He, Tian; Ye, Wu; Pan, Qiang; Liu, Xiandong

    2016-02-01

    One key aspect of local fault diagnosis is how to effectively extract abrupt features from the vibration signals. This paper proposes a method to automatically extract abrupt information based on singular value decomposition and higher-order statistics. In order to observe the distribution law of singular values, a numerical analysis to simulate the noise, periodic signal, abrupt signal and singular value distribution is conducted. Based on higher-order statistics and spectrum analysis, a method to automatically choose the upper and lower borders of the singular value interval reflecting the abrupt information is built. And the selected singular values derived from this method are used to reconstruct abrupt signals. It is proven that the method is able to obtain accurate results by processing the rub-impact fault signal measured from the experiments. The analytical and experimental results indicate that the proposed method is feasible for automatically extracting abrupt information caused by faults like the rotor-stator rub-impact.

  12. Modeling the 'Birch Effect' Using a Microbial Enzyme Based Soil Organic Carbon Decomposition and Gas Transport Model

    NASA Astrophysics Data System (ADS)

    Niu, G.; Zhang, X.; Barron-Gafford, G.; Pavao-zuckerman, M.

    2013-12-01

    Soil respiration pulses in response to pulsed wetting ('Birch effect'; Birch 1958) have long been observed from laboratory and field experiments. The Birch effect produces more CO2 efflux and sustains greater microbial biomass than constantly moist soils. Various mechanisms causing the effect have been proposed. However, the exact mechanism underlying the Birch effect is not clear, and thus most models are not able to simulate this effect. We have recently developed a microbial enzyme based decomposition and gas transport model. The model integrates the most recent advances in the understanding of critical processes, including enzyme-catalyzed degradation of soil organic carbon (SOC) to dissolved organic carbon (DOC), acclimation of carbon use efficiency (CUE) for the uptake of DOC by microbes, and diffusive and convective transport of O2 and CO2 in the soil. The model has four kinds of carbon pools including SOC, DOC, microbial biomass (MIC), and extracellular enzyme (ENZ). However, the model coupled with a land surface model, which accurately simulates soil moisture and temperature, failed to simulate the Birch effect observed at a natural savannah ecosystem site in the southwest US monsoon region. We further divided the DOC and ENZ pools into two sub-pools, one for a wet zone and the other for a dry zone, respectively. We assume that in the dry zone, DOC can be produced through enzyme catalysis, although at a lower rate due to enzyme immobilization, and only in the wet zone can microbes take up DOC. Thus, the modeled DOC accumulates during dry periods and is quickly transitioned into DOC in the wet zone (proportional to saturation) in response to pulsed wetting during a storm, and becomes available for microbial use. In such a way, the model successfully simulates the Birch effect with the Nash-Sutcliffe model efficiency being ~ 0.75 (correlation coefficient ~ 0.88) at a half-hourly time step. We will also present the effect of gas transport on the Birch effect

  13. C-H Bond Oxidation Catalyzed by an Imine-Based Iron Complex: A Mechanistic Insight.

    PubMed

    Olivo, Giorgio; Nardi, Martina; Vìdal, Diego; Barbieri, Alessia; Lapi, Andrea; Gómez, Laura; Lanzalunga, Osvaldo; Costas, Miquel; Di Stefano, Stefano

    2015-11-01

    A family of imine-based nonheme iron(II) complexes (LX)2Fe(OTf)2 has been prepared, characterized, and employed as C-H oxidation catalysts. Ligands LX (X = 1, 2, 3, and 4) stand for tridentate imine ligands resulting from spontaneous condensation of 2-pycolyl-amine and 4-substituted-2-picolyl aldehydes. Fast and quantitative formation of the complex occurs just upon mixing aldehyde, amine, and Fe(OTf)2 in a 2:2:1 ratio in acetonitrile solution. The solid-state structures of (L1)2Fe(OTf)(ClO4) and (L3)2Fe(OTf)2 are reported, showing a low-spin octahedral iron center, with the ligands arranged in a meridional fashion. (1)H NMR analyses indicate that the solid-state structure and spin state is retained in solution. These analyses also show the presence of an amine-imine tautomeric equilibrium. (LX)2Fe(OTf)2 efficiently catalyze the oxidation of alkyl C-H bonds employing H2O2 as a terminal oxidant. Manipulation of the electronic properties of the imine ligand has only a minor impact on efficiency and selectivity of the oxidative process. A mechanistic study is presented, providing evidence that C-H oxidations are metal-based. Reactions occur with stereoretention at the hydroxylated carbon and selectively at tertiary over secondary C-H bonds. Isotopic labeling analyses show that H2O2 is the dominant origin of the oxygen atoms inserted in the oxygenated product. Experimental evidence is provided that reactions involve initial oxidation of the complexes to the ferric state, and it is proposed that a ligand arm dissociates to enable hydrogen peroxide binding and activation. Selectivity patterns and isotopic labeling studies strongly suggest that activation of hydrogen peroxide occurs by heterolytic O-O cleavage, without the assistance of a cis-binding water or alkyl carboxylic acid. The sum of these observations provides sound evidence that controlled activation of H2O2 at (LX)2Fe(OTf)2 differs from that occurring in biomimetic iron catalysts described to date. PMID

  14. Synthesis of 1,2,4-triazolines: base-catalyzed hydrazination/cyclization cascade of α-isocyano esters and amides.

    PubMed

    Monge, David; Jensen, Kim L; Marín, Irene; Jørgensen, Karl Anker

    2011-01-21

    A convenient, efficient synthesis of 1,2,4-triazolines from α-isocyano esters/amides and azodicarboxylates is presented. The developed reaction cascade is based on a base-catalyzed hydrazination-type reaction followed by a subsequent cyclization providing the triazolines in good to excellent yields (75-99%). Phosphine-catalyzed and preliminary asymmetric phase-transfer catalysis approaches have also been investigated. PMID:21166428

  15. ECG feature extraction based on the bandwidth properties of variational mode decomposition.

    PubMed

    Mert, Ahmet

    2016-04-01

    It is a difficult process to detect abnormal heart beats, known as arrhythmia, in long-term ECG recording. Thus, computer-aided diagnosis systems have become a supportive tool for helping physicians improve the diagnostic accuracy of heartbeat detection. This paper explores the bandwidth properties of the modes obtained using variational mode decomposition (VMD) to classify arrhythmia electrocardiogram (ECG) beats. VMD is an enhanced version of the empirical mode decomposition (EMD) algorithm for analyzing non-linear and non-stationary signals. It decomposes the signal into a set of band-limited oscillations called modes. ECG signals from the MIT-BIH arrhythmia database are decomposed using VMD, and the amplitude modulation bandwidth B AM, the frequency modulation bandwidth B FM and the total bandwidth B of the modes are used as feature vectors to detect heartbeats such as normal (N), premature ventricular contraction (V), left bundle branch block (L), right bundle branch block (R), paced beat (P) and atrial premature beat (A). Bandwidth estimations based on the instantaneous frequency (IF) and amplitude (IA) spectra of the modes indicate that the proposed VMD-based features have sufficient class discrimination capability regarding ECG beats. Moreover, the extracted features using the bandwidths (B AM, B FM and B) of four modes are used to evaluate the diagnostic accuracy rates of several classifiers such as the k-nearest neighbor classifier (k-NN), the decision tree (DT), the artificial neural network (ANN), the bagged decision tree (BDT), the AdaBoost decision tree (ABDT) and random sub-spaced k-NN (RSNN) for N, R, L, V, P, and A beats. The performance of the proposed VMD-based feature extraction with a BDT classifier has accuracy rates of 99.06%, 99.00%, 99.40%, 99.51%, 98.72%, 98.71%, and 99.02% for overall, N-, R-, L-, V-, P-, and A-type ECG beats, respectively. PMID:26987295

  16. Using the base-of-the-pyramid perspective to catalyze interdependence-based collaborations.

    PubMed

    London, Ted; Anupindi, Ravi

    2012-07-31

    Improving food security and nutrition in the developing world remains among society's most intractable challenges and continues despite a wide variety of investments. Both donor- and enterprise-led initiatives, for example, have explored including smallholder farmers in their value chains. However, these efforts have had only modest success, partly because the private and development sectors prefer to maintain their independence. Research from the base-of-the-pyramid domain offers new insights into how collaborative interdependence between sectors can enhance the connection between profits and the alleviation of poverty. In this article, we identify the strengths and weaknesses of donor-led and enterprise-led value chain initiatives. We then explore how insights from the base-of-the-pyramid domain yield a set of interdependence-based collaboration strategies that can achieve more sustainable and scalable outcomes. PMID:21482752

  17. Using the base-of-the-pyramid perspective to catalyze interdependence-based collaborations

    PubMed Central

    London, Ted; Anupindi, Ravi

    2012-01-01

    Improving food security and nutrition in the developing world remains among society's most intractable challenges and continues despite a wide variety of investments. Both donor- and enterprise-led initiatives, for example, have explored including smallholder farmers in their value chains. However, these efforts have had only modest success, partly because the private and development sectors prefer to maintain their independence. Research from the base-of-the-pyramid domain offers new insights into how collaborative interdependence between sectors can enhance the connection between profits and the alleviation of poverty. In this article, we identify the strengths and weaknesses of donor-led and enterprise-led value chain initiatives. We then explore how insights from the base-of-the-pyramid domain yield a set of interdependence-based collaboration strategies that can achieve more sustainable and scalable outcomes. PMID:21482752

  18. 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

  19. A Human ECG Identification System Based on Ensemble Empirical Mode Decomposition

    PubMed Central

    Zhao, Zhidong; Yang, Lei; Chen, Diandian; Luo, Yi

    2013-01-01

    In this paper, a human electrocardiogram (ECG) identification system based on ensemble empirical mode decomposition (EEMD) is designed. A robust preprocessing method comprising noise elimination, heartbeat normalization and quality measurement is proposed to eliminate the effects of noise and heart rate variability. The system is independent of the heart rate. The ECG signal is decomposed into a number of intrinsic mode functions (IMFs) and Welch spectral analysis is used to extract the significant heartbeat signal features. Principal component analysis is used reduce the dimensionality of the feature space, and the K-nearest neighbors (K-NN) method is applied as the classifier tool. The proposed human ECG identification system was tested on standard MIT-BIH ECG databases: the ST change database, the long-term ST database, and the PTB database. The system achieved an identification accuracy of 95% for 90 subjects, demonstrating the effectiveness of the proposed method in terms of accuracy and robustness. PMID:23698274

  20. Computational transport methodology based on decomposition of a problem domain into transport and diffusive subdomains

    SciTech Connect

    Anistratov, Dmitriy Y.; Stehle, Nicholas D.

    2012-10-15

    A large class of radiative transfer and particle transport problems contain highly diffusive regions. It is possible to reduce computational costs by solving a diffusion problem in diffusive subdomains instead of the transport equation. This enables one to decrease the dimensionality of the transport problem. In this paper we present a methodology for decomposition of a spatial domain of a transport problem into transport and diffusion subregions. We develop methods for solving one-group problems in 1D slab geometry. To identify and locate diffusive regions, we develop metrics for measuring transport effects that are based on the quasidiffusion (Eddington) factor. We present the results of test problems that demonstrate the accuracy of the proposed methodology.

  1. A Bloch decomposition-based stochastic Galerkin method for quantum dynamics with a random external potential

    NASA Astrophysics Data System (ADS)

    Wu, Zhizhang; Huang, Zhongyi

    2016-07-01

    In this paper, we consider the numerical solution of the one-dimensional Schrödinger equation with a periodic lattice potential and a random external potential. This is an important model in solid state physics where the randomness results from complicated phenomena that are not exactly known. Here we generalize the Bloch decomposition-based time-splitting pseudospectral method to the stochastic setting using the generalized polynomial chaos with a Galerkin procedure so that the main effects of dispersion and periodic potential are still computed together. We prove that our method is unconditionally stable and numerical examples show that it has other nice properties and is more efficient than the traditional method. Finally, we give some numerical evidence for the well-known phenomenon of Anderson localization.

  2. Optical image encryption based on multi-beam interference and common vector decomposition

    NASA Astrophysics Data System (ADS)

    Chen, Linfei; He, Bingyu; Chen, Xudong; Gao, Xiong; Liu, Jingyu

    2016-02-01

    Based on multi-beam interference and common vector decomposition, we propose a new method for optical image encryption. In encryption process, the information of an original image is encoded into n amplitude masks and n phase masks which are regarded as a ciphertext and many keys. In decryption process, parallel light irradiates the amplitude masks and phase masks, then passes through lens that takes place Fourier transform, and finally we obtain the original image at the output plane after interference. The security of the encryption system is also discussed in the paper, and we find that only when all the keys are correct, can the information of the original image be recovered. Computer simulation results are presented to verify the validity and the security of the proposed method.

  3. Anisotropic finite strain viscoelasticity based on the Sidoroff multiplicative decomposition and logarithmic strains

    NASA Astrophysics Data System (ADS)

    Latorre, Marcos; Montáns, Francisco Javier

    2015-09-01

    In this paper a purely phenomenological formulation and finite element numerical implementation for quasi-incompressible transversely isotropic and orthotropic materials is presented. The stored energy is composed of distinct anisotropic equilibrated and non-equilibrated parts. The nonequilibrated strains are obtained from the multiplicative decomposition of the deformation gradient. The procedure can be considered as an extension of the Reese and Govindjee framework to anisotropic materials and reduces to such formulation for isotropic materials. The stress-point algorithmic implementation is based on an elastic-predictor viscous-corrector algorithm similar to that employed in plasticity. The consistent tangent moduli for the general anisotropic case are also derived. Numerical examples explain the procedure to obtain the material parameters, show the quadratic convergence of the algorithm and usefulness in multiaxial loading. One example also highlights the importance of prescribing a complete set of stress-strain curves in orthotropic materials.

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

    DOE PAGESBeta

    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

  5. 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

  6. A novel signal compression method based on optimal ensemble empirical mode decomposition for bearing vibration signals

    NASA Astrophysics Data System (ADS)

    Guo, Wei; Tse, Peter W.

    2013-01-01

    Today, remote machine condition monitoring is popular due to the continuous advancement in wireless communication. Bearing is the most frequently and easily failed component in many rotating machines. To accurately identify the type of bearing fault, large amounts of vibration data need to be collected. However, the volume of transmitted data cannot be too high because the bandwidth of wireless communication is limited. To solve this problem, the data are usually compressed before transmitting to a remote maintenance center. This paper proposes a novel signal compression method that can substantially reduce the amount of data that need to be transmitted without sacrificing the accuracy of fault identification. The proposed signal compression method is based on ensemble empirical mode decomposition (EEMD), which is an effective method for adaptively decomposing the vibration signal into different bands of signal components, termed intrinsic mode functions (IMFs). An optimization method was designed to automatically select appropriate EEMD parameters for the analyzed signal, and in particular to select the appropriate level of the added white noise in the EEMD method. An index termed the relative root-mean-square error was used to evaluate the decomposition performances under different noise levels to find the optimal level. After applying the optimal EEMD method to a vibration signal, the IMF relating to the bearing fault can be extracted from the original vibration signal. Compressing this signal component obtains a much smaller proportion of data samples to be retained for transmission and further reconstruction. The proposed compression method were also compared with the popular wavelet compression method. Experimental results demonstrate that the optimization of EEMD parameters can automatically find appropriate EEMD parameters for the analyzed signals, and the IMF-based compression method provides a higher compression ratio, while retaining the bearing defect

  7. Detection of the Third Heart Sound Based on Nonlinear Signal Decomposition and Time-Frequency Localization.

    PubMed

    Barma, Shovan; Chen, Bo-Wei; Ji, Wen; Rho, Seungmin; Chou, Chih-Hung; Wang, Jhing-Fa

    2016-08-01

    This study presents a precise way to detect the third ( S3 ) heart sound, which is recognized as an important indication of heart failure, based on nonlinear single decomposition and time-frequency localization. The detection of the S3 is obscured due to its significantly low energy and frequency. Even more, the detected S3 may be misunderstood as an abnormal second heart sound with a fixed split, which was not addressed in the literature. To detect such S3, the Hilbert vibration decomposition method is applied to decompose the heart sound into a certain number of subcomponents while intactly preserving the phase information. Thus, the time information of all of the decomposed components are unchanged, which further expedites the identification and localization of any module/section of a signal properly. Next, the proposed localization step is applied to the decomposed subcomponents by using smoothed pseudo Wigner-Ville distribution followed by the reassignment method. Finally, based on the positional information, the S3 is distinguished and confirmed by measuring time delays between the S2 and S3. In total, 82 sets of cardiac cycles collected from different databases including Texas Heart Institute database are examined for evaluation of the proposed method. The result analysis shows that the proposed method can detect the S3 correctly, even when the normalized temporal energy of S3 is larger than 0.16, and the frequency of those is larger than 34 Hz. In a performance analysis, the proposed method demonstrates that the accuracy rate of S3 detection is as high as 93.9%, which is significantly higher compared with the other methods. Such findings prove the robustness of the proposed idea for detecting substantially low-energized S3 . PMID:26584485

  8. 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. PMID:24992328

  9. Evaluation of a Thermodynamically Based Soil Microbial Decomposition Model Based on a 13c Tracer Study in Arctic Tundra Soils

    NASA Astrophysics Data System (ADS)

    Zhu, X.; Tang, J.; Riley, W. J.; Wallenstein, M. D.; Cotrufo, M. F.; Machmuller, M. B.; Lynch, L.

    2014-12-01

    The incorporation of explicit representation of biological complexity in soil carbon decomposition models may improve our ability to accurately predict terrestrial carbon-climate feedbacks. A new generation of microbe-explicit soil decomposition models (MEMs) are being developed that represent soil biological complexity, but only a few take into account detailed biotic and abiotic components and competitive interactions in the complex soil system. In view of this, we have developed a thermodynamically based MEM with a detailed component network (polymeric organic carbon, dissolved organic carbon, microbes, extracellular enzymes, and mineral surfaces), in which competitive interactions and microbial metabolism are modeled using Equilibrium Chemistry Approximation kinetics and Dynamic Energy Budget theory, respectively. The model behavior has been tested and is qualitatively consistent with many empirical studies, but further evaluation of the model with field or lab experimental data in specific ecosystems is needed. Stable carbon isotope (13C) tracer experiments provide a means to directly evaluate soil carbon dynamics simulated by MEMs. In this study, we further develop the model to explicitly account for different carbon isotopes, including 13C and 14C. Isotopic fractionations in soil decomposition processes, including soil organic matter transformations and microbial metabolism, are considered. The 13C signals of different soil components derived from a 13C tracer experiment in Arctic tundra soils are used to test the model behavior and identify needed parametric and structural improvements. Our modeling and data comparison identify several key mechanisms that need to be included in MEMs. Finally, we present an analysis of the relative benefits and costs of additional complexity in MEMs compared to traditional pool-based modeling structures.

  10. 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. PMID:26953177

  11. Absorption spectrum analysis based on singular value decomposition for photoisomerization and photodegradation in organic dyes

    NASA Astrophysics Data System (ADS)

    Kawabe, Yutaka; Yoshikawa, Toshio; Chida, Toshifumi; Tada, Kazuhiro; Kawamoto, Masuki; Fujihara, Takashi; Sassa, Takafumi; Tsutsumi, Naoto

    2015-10-01

    In order to analyze the spectra of inseparable chemical mixtures, many mathematical methods have been developed to decompose them into the components relevant to species from series of spectral data obtained under different conditions. We formulated a method based on singular value decomposition (SVD) of linear algebra, and applied it to two example systems of organic dyes, being successful in reproducing absorption spectra assignable to cis/trans azocarbazole dyes from the spectral data after photoisomerization and to monomer/dimer of cyanine dyes from those during photodegaradation process. For the example of photoisomerization, polymer films containing the azocarbazole dyes were prepared, which have showed updatable holographic stereogram for real images with high performance. We made continuous monitoring of absorption spectrum after optical excitation and found that their spectral shapes varied slightly after the excitation and during recovery process, of which fact suggested the contribution from a generated photoisomer. Application of the method was successful to identify two spectral components due to trans and cis forms of azocarbazoles. Temporal evolution of their weight factors suggested important roles of long lifetimed cis states in azocarbazole derivatives. We also applied the method to the photodegradation of cyanine dyes doped in DNA-lipid complexes which have shown efficient and durable optical amplification and/or lasing under optical pumping. The same SVD method was successful in the extraction of two spectral components presumably due to monomer and H-type dimer. During the photodegradation process, absorption magnitude gradually decreased due to decomposition of molecules and their decaying rates strongly depended on the spectral components, suggesting that the long persistency of the dyes in DNA-complex related to weak tendency of aggregate formation.

  12. Simulation of the early stage of binary alloy decomposition, based on the free energy density functional method

    NASA Astrophysics Data System (ADS)

    L'vov, P. E.; Svetukhin, V. V.

    2016-07-01

    Based on the free energy density functional method, the early stage of decomposition of a onedimensional binary alloy corresponding to the approximation of regular solutions has been simulated. In the simulation, Gaussian composition fluctuations caused by the initial alloy state are taken into account. The calculation is performed using the block approach implying discretization of the extensive solution volume into independent fragments for each of which the decomposition process is calculated, and then a joint analysis of the formed second phase segregations is performed. It was possible to trace all stages of solid solution decomposition: nucleation, growth, and coalescence (initial stage). The time dependences of the main phase distribution characteristics are calculated: the average size and concentration of the second phase particles, their size distribution function, and the nucleation rate of the second phase particles (clusters). Cluster trajectories in the size-composition space are constructed for the cases of growth and dissolution.

  13. Base-mediated decomposition of amide-substituted furfuryl tosylhydrazones: synthesis and cytotoxic activities of enynyl-ketoamides.

    PubMed

    Ji, Fanghua; Peng, Hui; Zhang, Xiaoting; Lu, Wenhua; Liu, Shubin; Jiang, Huanfeng; Liu, Bo; Yin, Biaolin

    2015-02-20

    Base-mediated decomposition of amide-substituted furfuryl tosylhydrazones afforded practical access to novel multifunctionalized enynyl-ketoamides. In addition, furfuryl tosylhydrazones with stable furan rings underwent an interesting tosyl-group migration to form sulfones, which have potential synthetic applications. Some of the obtained enynyl-ketoamides demonstrated good cytotoxicities against human tumor cell lines. PMID:25635471

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

    NASA Astrophysics Data System (ADS)

    Baars, Woutijn J.; Tinney, Charles E.

    2014-05-01

    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 Estimation (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.

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

    SciTech Connect

    Baars, Woutijn J.; Tinney, Charles E.

    2014-05-15

    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 Estimation (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.

  16. Empirical mode decomposition based background removal and de-noising in polarization interference imaging spectrometer.

    PubMed

    Zhang, Chunmin; Ren, Wenyi; Mu, Tingkui; Fu, Lili; Jia, Chenling

    2013-02-11

    Based on empirical mode decomposition (EMD), the background removal and de-noising procedures of the data taken by polarization interference imaging interferometer (PIIS) are implemented. Through numerical simulation, it is discovered that the data processing methods are effective. The assumption that the noise mostly exists in the first intrinsic mode function is verified, and the parameters in the EMD thresholding de-noising methods is determined. In comparison, the wavelet and windowed Fourier transform based thresholding de-noising methods are introduced. The de-noised results are evaluated by the SNR, spectral resolution and peak value of the de-noised spectrums. All the methods are used to suppress the effect from the Gaussian and Poisson noise. The de-noising efficiency is higher for the spectrum contaminated by Gaussian noise. The interferogram obtained by the PIIS is processed by the proposed methods. Both the interferogram without background and noise free spectrum are obtained effectively. The adaptive and robust EMD based methods are effective to the background removal and de-noising in PIIS. PMID:23481716

  17. Singular value decomposition based feature extraction approaches for classifying faults of induction motors

    NASA Astrophysics Data System (ADS)

    Kang, Myeongsu; Kim, Jong-Myon

    2013-12-01

    This paper proposes singular value decomposition (SVD)-based feature extraction methods for fault classification of an induction motor: a short-time energy (STE) plus SVD technique in the time-domain analysis, and a discrete cosine transform (DCT) plus SVD technique in the frequency-domain analysis. To early identify induction motor faults, the extracted features are utilized as the inputs of multi-layer support vector machines (MLSVMs). Since SVMs perform well with the radial basis function (RBF) kernel for appropriately categorizing the faults of the induction motor, it is important to explore the impact of the σ values for the RBF kernel, which affects the classification accuracy. Likewise, this paper quantitatively evaluates the classification accuracy with different numbers of features, because the number of features affects the classification accuracy. According to the experimental results, although SVD-based features are effective for a noiseless environment, the STE plus SVD feature extraction approach is more effective with and without sensor noise in terms of the classification accuracy than the DCT plus SVD feature extraction approach. To demonstrate the improved classification of the proposed approach for identifying faults of the induction motor, the proposed SVD based feature extraction approach is compared with other state-of-the art methods and yields higher classification accuracies for both noiseless and noisy environments than conventional approaches.

  18. Target detection for low cost uncooled MWIR cameras based on empirical mode decomposition

    NASA Astrophysics Data System (ADS)

    Piñeiro-Ave, José; Blanco-Velasco, Manuel; Cruz-Roldán, Fernando; Artés-Rodríguez, Antonio

    2014-03-01

    In this work, a novel method for detecting low intensity fast moving objects with low cost Medium Wavelength Infrared (MWIR) cameras is proposed. The method is based on background subtraction in a video sequence obtained with a low density Focal Plane Array (FPA) of the newly available uncooled lead selenide (PbSe) detectors. Thermal instability along with the lack of specific electronics and mechanical devices for canceling the effect of distortion make background image identification very difficult. As a result, the identification of targets is performed in low signal to noise ratio (SNR) conditions, which may considerably restrict the sensitivity of the detection algorithm. These problems are addressed in this work by means of a new technique based on the empirical mode decomposition, which accomplishes drift estimation and target detection. Given that background estimation is the most important stage for detecting, a previous denoising step enabling a better drift estimation is designed. Comparisons are conducted against a denoising technique based on the wavelet transform and also with traditional drift estimation methods such as Kalman filtering and running average. The results reported by the simulations show that the proposed scheme has superior performance.

  19. Integrating heterogeneous classifier ensembles for EMG signal decomposition based on classifier agreement.

    PubMed

    Rasheed, Sarbast; Stashuk, Daniel W; Kamel, Mohamed S

    2010-05-01

    In this paper, we present a design methodology for integrating heterogeneous classifier ensembles by employing a diversity-based hybrid classifier fusion approach, whose aggregator module consists of two classifier combiners, to achieve an improved classification performance for motor unit potential classification during electromyographic (EMG) signal decomposition. Following the so-called overproduce and choose strategy to classifier ensemble combination, the developed system allows the construction of a large set of base classifiers, and then automatically chooses subsets of classifiers to form candidate classifier ensembles for each combiner. The system exploits kappa statistic diversity measure to design classifier teams through estimating the level of agreement between base classifier outputs. The pool of base classifiers consists of different kinds of classifiers: the adaptive certainty-based, the adaptive fuzzy k -NN, and the adaptive matched template filter classifiers; and utilizes different types of features. Performance of the developed system was evaluated using real and simulated EMG signals, and was compared with the performance of the constituent base classifiers. Across the EMG signal datasets used, the developed system had better average classification performance overall, especially in terms of reducing classification errors. For simulated signals of varying intensity, the developed system had an average correct classification rate CCr of 93.8% and an error rate Er of 2.2% compared to 93.6% and 3.2%, respectively, for the best base classifier in the ensemble. For simulated signals with varying amounts of shape and/or firing pattern variability, the developed system had a CCr of 89.1% with an Er of 4.7% compared to 86.3% and 5.6%, respectively, for the best classifier. For real signals, the developed system had a CCr of 89.4% with an Er of 3.9% compared to 84.6% and 7.1%, respectively, for the best classifier. PMID:19171524

  20. Bispectrum feature extraction of gearbox faults based on nonnegative Tucker3 decomposition with 3D calculations

    NASA Astrophysics Data System (ADS)

    Wang, Haijun; Xu, Feiyun; Zhao, Jun'ai; Jia, Minping; Hu, Jianzhong; Huang, Peng

    2013-11-01

    Nonnegative Tucker3 decomposition(NTD) has attracted lots of attentions for its good performance in 3D data array analysis. However, further research is still necessary to solve the problems of overfitting and slow convergence under the anharmonic vibration circumstance occurred in the field of mechanical fault diagnosis. To decompose a large-scale tensor and extract available bispectrum feature, a method of conjugating Choi-Williams kernel function with Gauss-Newton Cartesian product based on nonnegative Tucker3 decomposition(NTD_EDF) is investigated. The complexity of the proposed method is reduced from o( n N lg n) in 3D spaces to o( R 1 R 2 nlg n) in 1D vectors due to its low rank form of the Tucker-product convolution. Meanwhile, a simultaneously updating algorithm is given to overcome the overfitting, slow convergence and low efficiency existing in the conventional one-by-one updating algorithm. Furthermore, the technique of spectral phase analysis for quadratic coupling estimation is used to explain the feature spectrum extracted from the gearbox fault data by the proposed method in detail. The simulated and experimental results show that the sparser and more inerratic feature distribution of basis images can be obtained with core tensor by the NTD_EDF method compared with the one by the other methods in bispectrum feature extraction, and a legible fault expression can also be performed by power spectral density(PSD) function. Besides, the deviations of successive relative error(DSRE) of NTD_EDF achieves 81.66 dB against 15.17 dB by beta-divergences based on NTD(NTD_Beta) and the time-cost of NTD_EDF is only 129.3 s, which is far less than 1 747.9 s by hierarchical alternative least square based on NTD (NTD_HALS). The NTD_EDF method proposed not only avoids the data overfitting and improves the computation efficiency but also can be used to extract more inerratic and sparser bispectrum features of the gearbox fault.

  1. Reexamination of CO formation during formic acid decomposition on the Pt(1 1 1) surface in the gas phase

    NASA Astrophysics Data System (ADS)

    Wang, Yingying; Zhang, Dongju; Liu, Peng; Liu, Chengbu

    2016-08-01

    Existing theoretical results for formic acid (HCOOH) decomposition on Pt(1 1 1) cannot rationalize the easy CO poisoning of the catalysts in the gas phase. The present work reexamined HCOOH decomposition on Pt(1 1 1) by considering the effect of the initial adsorption structure of the reactant on the reactivity. Our calculations present a new adsorption configuration of HCOOH on Pt(1 1 1), from which the formation of CO is found to be competing with the formation of CO2. The newly proposed mechanism improves our understanding for the mechanism of HCOOH decomposition catalyzed by Pt-based catalysts.

  2. Electrochemical impedance spectroscopy sensor for ascorbic acid based on copper(I) catalyzed click chemistry.

    PubMed

    Qiu, Suyan; Gao, Sen; Liu, Qida; Lin, Zhenyu; Qiu, Bin; Chen, Guonan

    2011-07-15

    Copper(I) species can be acquired from the reduction of copper(II) by ascorbic acid (AA) in situ, and which in turn quantitative catalyze the azides and alkynes cycloaddition reaction. In this study, propargyl-functionalized ferrocene (propargyl-functionalized Fc) has been modified on the electrode through reacting with azide terminal modified Au electrode via copper(I) catalyzed azides and alkynes cycloaddition (CuAAC) reaction. The electrochemical impedance spectroscopy (EIS) measurement has been applied to test the electron transfer resistance of the Au electrode before and after click reaction. The changes of the fractional surface coverage (θ) with different AA concentrations are characterized. It is found that the θ value has a linear response to the logarithm of AA concentration in the range of 5.0 pmol/L to 1.0 nmol/L with the detection limits of 2.6 pmol/L. The sensor shows a good stability and selectivity. And it has been successfully applied to the AA detection in the real samples (urine) with satisfactory results. PMID:21596552

  3. Iris identification system based on Fourier coefficients and singular value decomposition

    NASA Astrophysics Data System (ADS)

    Somnugpong, Sawet; Phimoltares, Suphakant; Maneeroj, Saranya

    2011-12-01

    Nowadays, both personal identification and classification are very important. In order to identify the person for some security applications, physical or behavior-based characteristics of individuals with high uniqueness might be analyzed. Biometric becomes the mostly used in personal identification purpose. There are many types of biometric information currently used. In this work, iris, one kind of personal characteristics is considered because of its uniqueness and collectable. Recently, the problem of various iris recognition systems is the limitation of space to store the data in a variety of environments. This work proposes the iris recognition system with small-size of feature vector causing a reduction in space complexity term. For this experiment, each iris is presented in terms of frequency domain, and based on neural network classification model. First, Fast Fourier Transform (FFT) is used to compute the Discrete Fourier Coefficients of iris data in frequency domain. Once the iris data was transformed into frequency-domain matrix, Singular Value Decomposition (SVD) is used to reduce a size of the complex matrix to single vector. All of these vectors would be input for neural networks for the classification step. With this approach, the merit of our technique is that size of feature vector is smaller than that of other techniques with the acceptable level of accuracy when compared with other existing techniques.

  4. Research of singular value decomposition based on slip matrix for rolling bearing fault diagnosis

    NASA Astrophysics Data System (ADS)

    Cong, Feiyun; Zhong, Wei; Tong, Shuiguang; Tang, Ning; Chen, Jin

    2015-05-01

    Rolling element bearings are at the heart of most rotating machines and they bear the function of connectivity between the rotor and stator. It is important to distinguish the incipient fault before the bearing step into serious failure. The Slip Matrix (SM) construction method based on Singular Value Decomposition (SVD) is proposed in this paper. The SM based fault feature extraction and impulses intelligent detection methods are introduced as the key steps for rolling bearing fault diagnosis. The numerical simulation of rolling bearing fault signal is adopted which shows that the proposed method is good at fault impulses detection in strong background noise environment. The rolling element bearing accelerated life test is performed for the acquisition of experimental data of rolling bearing fault. With the rolling bearing running from normal state to failure, the initial fault signal part can be picked out from the whole life vibration data of the rolling bearing. The vibration signal is close to the nature fault signal which is acquired from a rolling bearing applied in industrial field. The analysis result shows that the proposed method has an excellent performance in rolling bearing fault detection.

  5. Time Domain Strain/Stress Reconstruction Based on Empirical Mode Decomposition: Numerical Study and Experimental Validation.

    PubMed

    He, Jingjing; Zhou, Yibin; Guan, Xuefei; Zhang, Wei; Zhang, Weifang; Liu, Yongming

    2016-01-01

    Structural health monitoring has been studied by a number of researchers as well as various industries to keep up with the increasing demand for preventive maintenance routines. This work presents a novel method for reconstruct prompt, informed strain/stress responses at the hot spots of the structures based on strain measurements at remote locations. The structural responses measured from usage monitoring system at available locations are decomposed into modal responses using empirical mode decomposition. Transformation equations based on finite element modeling are derived to extrapolate the modal responses from the measured locations to critical locations where direct sensor measurements are not available. Then, two numerical examples (a two-span beam and a 19956-degree of freedom simplified airfoil) are used to demonstrate the overall reconstruction method. Finally, the present work investigates the effectiveness and accuracy of the method through a set of experiments conducted on an aluminium alloy cantilever beam commonly used in air vehicle and spacecraft. The experiments collect the vibration strain signals of the beam via optical fiber sensors. Reconstruction results are compared with theoretical solutions and a detailed error analysis is also provided. PMID:27537889

  6. A hybrid filtering method based on a novel empirical mode decomposition for friction signals

    NASA Astrophysics Data System (ADS)

    Li, Chengwei; Zhan, Liwei

    2015-12-01

    During a measurement, the measured signal usually contains noise. To remove the noise and preserve the important feature of the signal, we introduce a hybrid filtering method that uses a new intrinsic mode function (NIMF) and a modified Hausdorff distance. The NIMF is defined as the difference between the noisy signal and each intrinsic mode function (IMF), which is obtained by empirical mode decomposition (EMD), ensemble EMD, complementary ensemble EMD, or complete ensemble EMD with adaptive noise (CEEMDAN). The relevant mode selecting is based on the similarity between the first NIMF and the rest of the NIMFs. With this filtering method, the EMD and improved versions are used to filter the simulation and friction signals. The friction signal between an airplane tire and the runaway is recorded during a simulated airplane touchdown and features spikes of various amplitudes and noise. The filtering effectiveness of the four hybrid filtering methods are compared and discussed. The results show that the filtering method based on CEEMDAN outperforms other signal filtering methods.

  7. Color Restoration of RGBN Multispectral Filter Array Sensor Images Based on Spectral Decomposition.

    PubMed

    Park, Chulhee; Kang, Moon Gi

    2016-01-01

    A multispectral filter array (MSFA) image sensor with red, green, blue and near-infrared (NIR) filters is useful for various imaging applications with the advantages that it obtains color information and NIR information simultaneously. Because the MSFA image sensor needs to acquire invisible band information, it is necessary to remove the IR cut-offfilter (IRCF). However, without the IRCF, the color of the image is desaturated by the interference of the additional NIR component of each RGB color channel. To overcome color degradation, a signal processing approach is required to restore natural color by removing the unwanted NIR contribution to the RGB color channels while the additional NIR information remains in the N channel. Thus, in this paper, we propose a color restoration method for an imaging system based on the MSFA image sensor with RGBN filters. To remove the unnecessary NIR component in each RGB color channel, spectral estimation and spectral decomposition are performed based on the spectral characteristics of the MSFA sensor. The proposed color restoration method estimates the spectral intensity in NIR band and recovers hue and color saturation by decomposing the visible band component and the NIR band component in each RGB color channel. The experimental results show that the proposed method effectively restores natural color and minimizes angular errors. PMID:27213381

  8. Solving Stochastic Flexible Flow Shop Scheduling Problems with a Decomposition-Based Approach

    NASA Astrophysics Data System (ADS)

    Wang, K.; Choi, S. H.

    2010-06-01

    Real manufacturing is dynamic and tends to suffer a lot of uncertainties. Research on production scheduling under uncertainty has recently received much attention. Although various approaches have been developed for scheduling under uncertainty, this problem is still difficult to tackle by any single approach, because of its inherent difficulties. This chapter describes a decomposition-based approach (DBA) for makespan minimisation of a flexible flow shop (FFS) scheduling problem with stochastic processing times. The DBA decomposes an FFS into several machine clusters which can be solved more easily by different approaches. A neighbouring K-means clustering algorithm is developed to firstly group the machines of an FFS into an appropriate number of machine clusters, based on a weighted cluster validity index. A back propagation network (BPN) is then adopted to assign either the Shortest Processing Time (SPT) Algorithm or the Genetic Algorithm (GA) to generate a sub-schedule for each machine cluster. After machine grouping and approach assignment, an overall schedule is generated by integrating the sub-schedules of the machine clusters. Computation results reveal that the DBA is superior to SPT and GA alone for FFS scheduling under stochastic processing times, and that it can be easily adapted to schedule FFS under other uncertainties.

  9. Color Restoration of RGBN Multispectral Filter Array Sensor Images Based on Spectral Decomposition

    PubMed Central

    Park, Chulhee; Kang, Moon Gi

    2016-01-01

    A multispectral filter array (MSFA) image sensor with red, green, blue and near-infrared (NIR) filters is useful for various imaging applications with the advantages that it obtains color information and NIR information simultaneously. Because the MSFA image sensor needs to acquire invisible band information, it is necessary to remove the IR cut-offfilter (IRCF). However, without the IRCF, the color of the image is desaturated by the interference of the additional NIR component of each RGB color channel. To overcome color degradation, a signal processing approach is required to restore natural color by removing the unwanted NIR contribution to the RGB color channels while the additional NIR information remains in the N channel. Thus, in this paper, we propose a color restoration method for an imaging system based on the MSFA image sensor with RGBN filters. To remove the unnecessary NIR component in each RGB color channel, spectral estimation and spectral decomposition are performed based on the spectral characteristics of the MSFA sensor. The proposed color restoration method estimates the spectral intensity in NIR band and recovers hue and color saturation by decomposing the visible band component and the NIR band component in each RGB color channel. The experimental results show that the proposed method effectively restores natural color and minimizes angular errors. PMID:27213381

  10. Empirical mode decomposition-based motion artifact correction method for functional near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Gu, Yue; Han, Junxia; Liang, Zhenhu; Yan, Jiaqing; Li, Zheng; Li, Xiaoli

    2016-01-01

    Functional near-infrared spectroscopy (fNIRS) is a promising technique for monitoring brain activity. However, it is sensitive to motion artifacts. Many methods have been developed for motion correction, such as spline interpolation, wavelet filtering, and kurtosis-based wavelet filtering. We propose a motion correction method based on empirical mode decomposition (EMD), which is applied to segments of data identified as having motion artifacts. The EMD method is adaptive, data-driven, and well suited for nonstationary data. To test the performance of the proposed EMD method and to compare it with other motion correction methods, we used simulated hemodynamic responses added to real resting-state fNIRS data. The EMD method reduced mean squared error in 79% of channels and increased signal-to-noise ratio in 78% of channels. Moreover, it produced the highest Pearson's correlation coefficient between the recovered signal and the original signal, significantly better than the comparison methods (p<0.01, paired t-test). These results indicate that the proposed EMD method is a first choice method for motion artifact correction in fNIRS.

  11. Despeckling algorithm on ultrasonic image using adaptive block-based singular value decomposition

    NASA Astrophysics Data System (ADS)

    Sae-Bae, Napa; Udomhunsakul, Somkait

    2008-03-01

    Speckle noise reduction is an important technique to enhance the quality of ultrasonic image. In this paper, a despeckling algorithm based on an adaptive block-based singular value decomposition filtering (BSVD) applied on ultrasonic images is presented. Instead of applying BSVD directly to ultrasonic image, we propose to apply BSVD on the noisy edge image version obtained from the difference between the logarithmic transformations of the original image and blur image version of its. The recovered image is performed by combining the speckle noise-free edge image with blur image version of its. Finally, exponential transformation is applied in order to get the reconstructed image. To evaluate our algorithm compared with well-know algorithms such as Lee filter, Kuan filter, Homomorphic Wiener filter, median filter and wavelet soft thresholding, four image quality measurements, which are Mean Square Error (MSE), Signal to MSE (S/MSE), Edge preservation (β), and Correlation measurement (ρ), are used. From the results, it clearly shows that the proposed algorithm outperforms other methods in terms of quantitative and subjective assessments.

  12. 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

  13. 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.

  14. Pansharpening with a Guided Filter Based on Three-Layer Decomposition.

    PubMed

    Meng, Xiangchao; Li, Jie; Shen, Huanfeng; Zhang, Liangpei; Zhang, Hongyan

    2016-01-01

    State-of-the-art pansharpening methods generally inject the spatial structures of a high spatial resolution (HR) panchromatic (PAN) image into the corresponding low spatial resolution (LR) multispectral (MS) image by an injection model. In this paper, a novel pansharpening method with an edge-preserving guided filter based on three-layer decomposition is proposed. In the proposed method, the PAN image is decomposed into three layers: A strong edge layer, a detail layer, and a low-frequency layer. The edge layer and detail layer are then injected into the MS image by a proportional injection model. In addition, two new quantitative evaluation indices, including the modified correlation coefficient (MCC) and the modified universal image quality index (MUIQI) are developed. The proposed method was tested and verified by IKONOS, QuickBird, and Gaofen (GF)-1 satellite images, and it was compared with several of state-of-the-art pansharpening methods from both qualitative and quantitative aspects. The experimental results confirm the superiority of the proposed method. PMID:27420064

  15. Examining Signal Decomposition in Ge Tracking Detectors through Source-Based Coincidence Measurements

    NASA Astrophysics Data System (ADS)

    Cromaz, M.; Campbell, C. M.; Clark, R. M.; Crawford, H. L.; Fallon, P.; Lee, I. Y.; Macchiavelli, A. O.; Wiens, A.; Riley, L.; Taniuchi, R.

    2016-03-01

    The performance of a gamma-ray tracking detector, such as those used in the GRETINA spectrometer, is dependent on its ability to accurately locate multiple interaction points in the Ge crystal. Interactions are located by observing both net and induced charge as a function of time on the detector's segmented contact. As multiple interactions are likely, linear combinations of basis signals, a set of simulated signals with unit charge deposited on a grid that spans the detector volume, are fit against the observed signal yielding the interaction positions. While the location of the primary interaction point was found to be good (σpos <= 2 mm) the location of secondary, lower energy interactions appear less reliable. To investigate this issue, we carried out a series of source-based coincidence measurements. These employed a collimated source and a secondary detector by which we could select single interaction events. Given these events originate from known positions, we can take them in combination to directly test the efficacy of the signal decomposition procedure. We will present a description of the method and preliminary results with a GRETINA quad detector. This work is supported by the U.S. Department of Energy under Contract No. DE-AC02-05CHI1231.

  16. Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysis

    NASA Astrophysics Data System (ADS)

    Zhou, Nengjie; Lu, Zhenyu; Wu, Qin; Zhang, Yingkai

    2014-06-01

    We examine interatomic interactions for rare gas dimers using the density-based energy decomposition analysis (DEDA) in conjunction with computational results from CCSD(T) at the complete basis set (CBS) limit. The unique DEDA capability of separating frozen density interactions from density relaxation contributions is employed to yield clean interaction components, and the results are found to be consistent with the typical physical picture that density relaxations play a very minimal role in rare gas interactions. Equipped with each interaction component as reference, we develop a new three-term molecular mechanical force field to describe rare gas dimers: a smeared charge multipole model for electrostatics with charge penetration effects, a B3LYP-D3 dispersion term for asymptotically correct long-range attractions that is screened at short-range, and a Born-Mayer exponential function for the repulsion. The resulted force field not only reproduces rare gas interaction energies calculated at the CCSD(T)/CBS level, but also yields each interaction component (electrostatic or van der Waals) which agrees very well with its corresponding reference value.

  17. Pansharpening with a Guided Filter Based on Three-Layer Decomposition

    PubMed Central

    Meng, Xiangchao; Li, Jie; Shen, Huanfeng; Zhang, Liangpei; Zhang, Hongyan

    2016-01-01

    State-of-the-art pansharpening methods generally inject the spatial structures of a high spatial resolution (HR) panchromatic (PAN) image into the corresponding low spatial resolution (LR) multispectral (MS) image by an injection model. In this paper, a novel pansharpening method with an edge-preserving guided filter based on three-layer decomposition is proposed. In the proposed method, the PAN image is decomposed into three layers: A strong edge layer, a detail layer, and a low-frequency layer. The edge layer and detail layer are then injected into the MS image by a proportional injection model. In addition, two new quantitative evaluation indices, including the modified correlation coefficient (MCC) and the modified universal image quality index (MUIQI) are developed. The proposed method was tested and verified by IKONOS, QuickBird, and Gaofen (GF)-1 satellite images, and it was compared with several of state-of-the-art pansharpening methods from both qualitative and quantitative aspects. The experimental results confirm the superiority of the proposed method. PMID:27420064

  18. Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysis.

    PubMed

    Zhou, Nengjie; Lu, Zhenyu; Wu, Qin; Zhang, Yingkai

    2014-06-01

    We examine interatomic interactions for rare gas dimers using the density-based energy decomposition analysis (DEDA) in conjunction with computational results from CCSD(T) at the complete basis set (CBS) limit. The unique DEDA capability of separating frozen density interactions from density relaxation contributions is employed to yield clean interaction components, and the results are found to be consistent with the typical physical picture that density relaxations play a very minimal role in rare gas interactions. Equipped with each interaction component as reference, we develop a new three-term molecular mechanical force field to describe rare gas dimers: a smeared charge multipole model for electrostatics with charge penetration effects, a B3LYP-D3 dispersion term for asymptotically correct long-range attractions that is screened at short-range, and a Born-Mayer exponential function for the repulsion. The resulted force field not only reproduces rare gas interaction energies calculated at the CCSD(T)/CBS level, but also yields each interaction component (electrostatic or van der Waals) which agrees very well with its corresponding reference value. PMID:24908000

  19. Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysis

    PubMed Central

    Zhou, Nengjie; Lu, Zhenyu; Wu, Qin; Zhang, Yingkai

    2014-01-01

    We examine interatomic interactions for rare gas dimers using the density-based energy decomposition analysis (DEDA) in conjunction with computational results from CCSD(T) at the complete basis set (CBS) limit. The unique DEDA capability of separating frozen density interactions from density relaxation contributions is employed to yield clean interaction components, and the results are found to be consistent with the typical physical picture that density relaxations play a very minimal role in rare gas interactions. Equipped with each interaction component as reference, we develop a new three-term molecular mechanical force field to describe rare gas dimers: a smeared charge multipole model for electrostatics with charge penetration effects, a B3LYP-D3 dispersion term for asymptotically correct long-range attractions that is screened at short-range, and a Born-Mayer exponential function for the repulsion. The resulted force field not only reproduces rare gas interaction energies calculated at the CCSD(T)/CBS level, but also yields each interaction component (electrostatic or van der Waals) which agrees very well with its corresponding reference value. PMID:24908000

  20. Bearing fault diagnosis based on variational mode decomposition and total variation denoising

    NASA Astrophysics Data System (ADS)

    Zhang, Suofeng; Wang, Yanxue; He, Shuilong; Jiang, Zhansi

    2016-07-01

    Feature extraction plays an essential role in bearing fault detection. However, the measured vibration signals are complex and non-stationary in nature, and meanwhile impulsive signatures of rolling bearing are usually immersed in stochastic noise. Hence, a novel hybrid fault diagnosis approach is developed for the denoising and non-stationary feature extraction in this work, which combines well with the variational mode decomposition (VMD) and majoriation–minization based total variation denoising (TV-MM). The TV-MM approach is utilized to remove stochastic noise in the raw signal and to enhance the corresponding characteristics. Since the parameter λ is very important in TV-MM, the weighted kurtosis index is also proposed in this work to determine an appropriate λ used in TV-MM. The performance of the proposed hybrid approach is conducted through the analysis of the simulated and practical bearing vibration signals. Results demonstrate that the proposed approach has superior capability to detect roller bearing faults from vibration signals.

  1. Ship classification using nonlinear features of radiated sound: an approach based on empirical mode decomposition.

    PubMed

    Bao, Fei; Li, Chen; Wang, Xinlong; Wang, Qingfu; Du, Shuanping

    2010-07-01

    Classification for ship-radiated underwater sound is one of the most important and challenging subjects in underwater acoustical signal processing. An approach to ship classification is proposed in this work based on analysis of ship-radiated acoustical noise in subspaces of intrinsic mode functions attained via the ensemble empirical mode decomposition. It is shown that detection and acquisition of stable and reliable nonlinear features become practically feasible by nonlinear analysis of the time series of individual decomposed components, each of which is simple enough and well represents an oscillatory mode of ship dynamics. Surrogate and nonlinear predictability analysis are conducted to probe and measure the nonlinearity and regularity. The results of both methods, which verify each other, substantiate that ship-radiated noises contain components with deterministic nonlinear features well serving for efficient classification of ships. The approach perhaps opens an alternative avenue in the direction toward object classification and identification. It may also import a new view of signals as complex as ship-radiated sound. PMID:20649216

  2. Automatic decomposition of a complex hologram based on the virtual diffraction plane framework

    NASA Astrophysics Data System (ADS)

    Jiao, A. S. M.; Tsang, P. W. M.; Poon, T.-C.; Liu, J.-P.; Lee, C.-C.; Lam, Y. K.

    2014-07-01

    Holography is a technique for capturing the hologram of a three-dimensional scene. In many applications, it is often pertinent to retain specific items of interest in the hologram, rather than retaining the full information, which may cause distraction in the analytical process that follows. For a real optical image that is captured with a camera or scanner, this process can be realized by applying image segmentation algorithms to decompose an image into its constituent entities. However, because it is different from an optical image, classic image segmentation methods cannot be applied directly to a hologram, as each pixel in the hologram carries holistic, rather than local, information of the object scene. In this paper, we propose a method to perform automatic decomposition of a complex hologram based on a recently proposed technique called the virtual diffraction plane (VDP) framework. Briefly, a complex hologram is back-propagated to a hypothetical plane known as the VDP. Next, the image on the VDP is automatically decomposed, through the use of the segmentation on the magnitude of the VDP image, into multiple sub-VDP images, each representing the diffracted waves of an isolated entity in the scene. Finally, each sub-VDP image is reverted back to a hologram. As such, a complex hologram can be decomposed into a plurality of subholograms, each representing a discrete object in the scene. We have demonstrated the successful performance of our proposed method by decomposing a complex hologram that is captured through the optical scanning holography (OSH) technique.

  3. An Efficient Model-based Diagnosis Engine for Hybrid Systems Using Structural Model Decomposition

    NASA Technical Reports Server (NTRS)

    Bregon, Anibal; Narasimhan, Sriram; Roychoudhury, Indranil; Daigle, Matthew; Pulido, Belarmino

    2013-01-01

    Complex hybrid systems are present in a large range of engineering applications, like mechanical systems, electrical circuits, or embedded computation systems. The behavior of these systems is made up of continuous and discrete event dynamics that increase the difficulties for accurate and timely online fault diagnosis. The Hybrid Diagnosis Engine (HyDE) offers flexibility to the diagnosis application designer to choose the modeling paradigm and the reasoning algorithms. The HyDE architecture supports the use of multiple modeling paradigms at the component and system level. However, HyDE faces some problems regarding performance in terms of complexity and time. Our focus in this paper is on developing efficient model-based methodologies for online fault diagnosis in complex hybrid systems. To do this, we propose a diagnosis framework where structural model decomposition is integrated within the HyDE diagnosis framework to reduce the computational complexity associated with the fault diagnosis of hybrid systems. As a case study, we apply our approach to a diagnostic testbed, the Advanced Diagnostics and Prognostics Testbed (ADAPT), using real data.

  4. Improving performance of channel equalization in RSOA-based WDM-PON by QR decomposition.

    PubMed

    Li, Xiang; Zhong, Wen-De; Alphones, Arokiaswami; Yu, Changyuan; Xu, Zhaowen

    2015-10-19

    In reflective semiconductor optical amplifier (RSOA)-based wavelength division multiplexed passive optical network (WDM-PON), the bit rate is limited by low modulation bandwidth of RSOAs. To overcome the limitation, we apply QR decomposition in channel equalizer (QR-CE) to achieve successive interference cancellation (SIC) for discrete Fourier transform spreading orthogonal frequency division multiplexing (DFT-S OFDM) signal. Using an RSOA with a 3-dB modulation bandwidth of only ~800 MHz, we experimentally demonstrate a 15.5-Gb/s over 20-km SSMF DFT-S OFDM transmission with QR-CE. The experimental results show that DFTS-OFDM with QR-CE attains much better BER performance than DFTS-OFDM and OFDM with conventional channel equalizers. The impacts of several parameters on QR-CE are investigated. It is found that 2 sub-bands in one OFDM symbol and 1 pilot in each sub-band are sufficient to achieve optimal performance and maintain the high spectral efficiency. PMID:26480390

  5. Compressed sensing MRI with singular value decomposition-based sparsity basis

    NASA Astrophysics Data System (ADS)

    Hong, Mingjian; Yu, Yeyang; Wang, Hua; Liu, Feng; Crozier, Stuart

    2011-10-01

    Compressed sensing MRI (CS-MRI) aims to significantly reduce the measurements required for image reconstruction in order to accelerate the overall imaging speed. The sparsity of the MR images in transformation bases is one of the fundamental criteria for CS-MRI performance. Sparser representations can require fewer samples necessary for a successful reconstruction or achieve better reconstruction quality with a given number of samples. Generally, there are two kinds of 'sparsifying' transforms: predefined transforms and data-adaptive transforms. The predefined transforms, such as the discrete cosine transform, discrete wavelet transform and identity transform have usually been used to provide sufficiently sparse representations for limited types of MR images, in view of their isolation to the object images. In this paper, we present singular value decomposition (SVD) as the data-adaptive 'sparsity' basis, which can sparsify a broader range of MR images and perform effective image reconstruction. The performance of this method was evaluated for MR images with varying content (for example, brain images, angiograms, etc), in terms of image quality, reconstruction time, sparsity and data fidelity. Comparison with other commonly used sparsifying transforms shows that the proposed method can significantly accelerate the reconstruction process and still achieve better image quality, providing a simple and effective alternative solution in the CS-MRI framework.

  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. Synthesis, spectroscopic and chromatographic studies of sunflower oil biodiesel using optimized base catalyzed methanolysis

    PubMed Central

    Naureen, Rizwana; Tariq, Muhammad; Yusoff, Ismail; Chowdhury, Ahmed Jalal Khan; Ashraf, Muhammad Aqeel

    2014-01-01

    Methyl esters from vegetable oils have attracted a great deal of interest as substitute for petrodiesel to reduce dependence on imported petroleum and provide an alternate and sustainable source for fuel with more benign environmental properties. In the present study biodiesel was prepared from sunflower seed oil by transesterification by alkali-catalyzed methanolysis. The fuel properties of sunflower oil biodiesel were determined and discussed in the light of ASTM D6751 standards for biodiesel. The sunflower oil biodiesel was chemically characterized with analytical techniques like FT-IR, and NMR (1H and 13C). The chemical composition of sunflower oil biodiesel was determined by GC–MS. Various fatty acid methyl esters (FAMEs) were identified by retention time data and verified by mass fragmentation patterns. The percentage conversion of triglycerides to the corresponding methyl esters determined by 1H NMR was 87.33% which was quite in good agreement with the practically observed yield of 85.1%. PMID:25972756

  8. A Graph-Based Recovery and Decomposition of Swanson’s Hypothesis using Semantic Predications

    PubMed Central

    Cameron, Delroy; Bodenreider, Olivier; Yalamanchili, Hima; Danh, Tu; Vallabhaneni, Sreeram; Thirunarayan, Krishnaprasad; Sheth, Amit P.; Rindflesch, Thomas C.

    2014-01-01

    Objectives This paper presents a methodology for recovering and decomposing Swanson’s Raynaud Syndrome–Fish Oil Hypothesis semi-automatically. The methodology leverages the semantics of assertions extracted from biomedical literature (called semantic predications) along with structured background knowledge and graph-based algorithms to semi-automatically capture the informative associations originally discovered manually by Swanson. Demonstrating that Swanson’s manually intensive techniques can be undertaken semi-automatically, paves the way for fully automatic semantics-based hypothesis generation from scientific literature. Methods Semantic predications obtained from biomedical literature allow the construction of labeled directed graphs which contain various associations among concepts from the literature. By aggregating such associations into informative subgraphs, some of the relevant details originally articulated by Swanson has been uncovered. However, by leveraging background knowledge to bridge important knowledge gaps in the literature, a methodology for semi-automatically capturing the detailed associations originally explicated in natural language by Swanson has been developed. Results Our methodology not only recovered the 3 associations commonly recognized as Swanson’s Hypothesis, but also decomposed them into an additional 16 detailed associations, formulated as chains of semantic predications. Altogether, 14 out of the 19 associations that can be attributed to Swanson were retrieved using our approach. To the best of our knowledge, such an in-depth recovery and decomposition of Swanson’s Hypothesis has never been attempted. Conclusion In this work therefore, we presented a methodology for semi- automatically recovering and decomposing Swanson’s RS-DFO Hypothesis using semantic representations and graph algorithms. Our methodology provides new insights into potential prerequisites for semantics-driven Literature-Based Discovery (LBD

  9. Thermal Decomposition Characteristics of Orthorhombic Ammonium Perchlorate (o-AP) and an 0-AP/HTPB-Based Propellant

    SciTech Connect

    BEHRENS JR.,RICHARD; MINIER,LEANNA M.G.

    1999-10-25

    A study to characterize the low-temperature reactive processes for o-AP and an AP/HTPB-based propellant (class 1.3) is being conducted in the laboratory using the techniques of simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and scanning electron microscopy (SEM). The results presented in this paper are a follow up of the previous work that showed the overall decomposition to be complex and controlled by both physical and chemical processes. The decomposition is characterized by the occurrence of one major event that consumes up to {approx}35% of the AP, depending upon particle size, and leaves behind a porous agglomerate of AP. The major gaseous products released during this event include H{sub 2}O, O{sub 2}, Cl{sub 2}, N{sub 2}O and HCl. The recent efforts provide further insight into the decomposition processes for o-AP. The temporal behaviors of the gas formation rates (GFRs) for the products indicate that the major decomposition event consists of three chemical channels. The first and third channels are affected by the pressure in the reaction cell and occur at the surface or in the gas phase above the surface of the AP particles. The second channel is not affected by pressure and accounts for the solid-phase reactions characteristic of o-AP. The third channel involves the interactions of the decomposition products with the surface of the AP. SEM images of partially decomposed o-AP provide insight to how the morphology changes as the decomposition progresses. A conceptual model has been developed, based upon the STMBMS and SEM results, that provides a basic description of the processes. The thermal decomposition characteristics of the propellant are evaluated from the identities of the products and the temporal behaviors of their GFRs. First, the volatile components in the propellant evolve from the propellant as it is heated. Second, the hot AP (and HClO{sub 4}) at the AP-binder interface oxidize the binder through reactions that

  10. Hyaluronic acid-based hydrogels crosslinked by copper-catalyzed azide-alkyne cycloaddition with tailorable mechanical properties.

    PubMed

    Piluso, Susanna; Hiebl, Bernhard; Gorb, Stanislav N; Kovalev, Alexander; Lendlein, Andreas; Neffe, Axel T

    2011-02-01

    Biopolymers of the extracellular matrix are attractive starting materials for providing degradable and biocompatible biomaterials. In this study, hyaluronic acid-based hydrogels with tunable mechanical properties were prepared by the use of copper- catalyzed azide-alkyne cycloaddition (known as "click chemistry"). Alkyne-functionalized hyaluronic acid was crosslinked with linkers having two terminal azide functionalities, varying crosslinker density as well as the lengths and rigidity of the linker molecules. By variation of the crosslinker density and crosslinker type, hydrogels with elastic moduli in the range of 0.5-4 kPa were prepared. The washed materials contained a maximum of 6.8 mg copper per kg dry weight and the eluate of the gel crosslinked with diazidostilbene did not show toxic effects on L929 cells. The hyaluronic acid-based hydrogels have potential as biomaterials for cell culture or soft tissue regeneration applications. PMID:21374560

  11. Robust x-ray based material identification using multi-energy sinogram decomposition

    NASA Astrophysics Data System (ADS)

    Yuan, Yaoshen; Tracey, Brian; Miller, Eric

    2016-05-01

    There is growing interest in developing X-ray computed tomography (CT) imaging systems with improved ability to discriminate material types, going beyond the attenuation imaging provided by most current systems. Dual- energy CT (DECT) systems can partially address this problem by estimating Compton and photoelectric (PE) coefficients of the materials being imaged, but DECT is greatly degraded by the presence of metal or other materials with high attenuation. Here we explore the advantages of multi-energy CT (MECT) systems based on photon-counting detectors. The utility of MECT has been demonstrated in medical applications where photon- counting detectors allow for the resolution of absorption K-edges. Our primary concern is aviation security applications where K-edges are rare. We simulate phantoms with differing amounts of metal (high, medium and low attenuation), both for switched-source DECT and for MECT systems, and include a realistic model of detector energy 0 resolution. We extend the DECT sinogram decomposition method of Ying et al. to MECT, allowing estimation of separate Compton and photoelectric sinograms. We furthermore introduce a weighting based on a quadratic approximation to the Poisson likelihood function that deemphasizes energy bins with low signal. Simulation results show that the proposed approach succeeds in estimating material properties even in high-attenuation scenarios where the DECT method fails, improving the signal to noise ratio of reconstructions by over 20 dB for the high-attenuation phantom. Our work demonstrates the potential of using photon counting detectors for stably recovering material properties even when high attenuation is present, thus enabling the development of improved scanning systems.

  12. Tensor based geology preserving reservoir parameterization with Higher Order Singular Value Decomposition (HOSVD)

    NASA Astrophysics Data System (ADS)

    Afra, Sardar; Gildin, Eduardo

    2016-09-01

    Parameter estimation through robust parameterization techniques has been addressed in many works associated with history matching and inverse problems. Reservoir models are in general complex, nonlinear, and large-scale with respect to the large number of states and unknown parameters. Thus, having a practical approach to replace the original set of highly correlated unknown parameters with non-correlated set of lower dimensionality, that captures the most significant features comparing to the original set, is of high importance. Furthermore, de-correlating system's parameters while keeping the geological description intact is critical to control the ill-posedness nature of such problems. We introduce the advantages of a new low dimensional parameterization approach for reservoir characterization applications utilizing multilinear algebra based techniques like higher order singular value decomposition (HOSVD). In tensor based approaches like HOSVD, 2D permeability images are treated as they are, i.e., the data structure is kept as it is, whereas in conventional dimensionality reduction algorithms like SVD data has to be vectorized. Hence, compared to classical methods, higher redundancy reduction with less information loss can be achieved through decreasing present redundancies in all dimensions. In other words, HOSVD approximation results in a better compact data representation with respect to least square sense and geological consistency in comparison with classical algorithms. We examined the performance of the proposed parameterization technique against SVD approach on the SPE10 benchmark reservoir model as well as synthetic channelized permeability maps to demonstrate the capability of the proposed method. Moreover, to acquire statistical consistency, we repeat all experiments for a set of 1000 unknown geological samples and provide comparison using RMSE analysis. Results prove that, for a fixed compression ratio, the performance of the proposed approach

  13. Three-Component Decomposition Based on Stokes Vector for Compact Polarimetric SAR.

    PubMed

    Wang, Hanning; Zhou, Zhimin; Turnbull, John; Song, Qian; Qi, Feng

    2015-01-01

    In this paper, a three-component decomposition algorithm is proposed for processing compact polarimetric SAR images. By using the correspondence between the covariance matrix and the Stokes vector, three-component scattering models for CTLR and DCP modes are established. The explicit expression of decomposition results is then derived by setting the contribution of volume scattering as a free parameter. The degree of depolarization is taken as the upper bound of the free parameter, for the constraint that the weighting factor of each scattering component should be nonnegative. Several methods are investigated to estimate the free parameter suitable for decomposition. The feasibility of this algorithm is validated by AIRSAR data over San Francisco and RADARSAT-2 data over Flevoland. PMID:26393610

  14. Three-Component Decomposition Based on Stokes Vector for Compact Polarimetric SAR

    PubMed Central

    Wang, Hanning; Zhou, Zhimin; Turnbull, John; Song, Qian; Qi, Feng

    2015-01-01

    In this paper, a three-component decomposition algorithm is proposed for processing compact polarimetric SAR images. By using the correspondence between the covariance matrix and the Stokes vector, three-component scattering models for CTLR and DCP modes are established. The explicit expression of decomposition results is then derived by setting the contribution of volume scattering as a free parameter. The degree of depolarization is taken as the upper bound of the free parameter, for the constraint that the weighting factor of each scattering component should be nonnegative. Several methods are investigated to estimate the free parameter suitable for decomposition. The feasibility of this algorithm is validated by AIRSAR data over San Francisco and RADARSAT-2 data over Flevoland. PMID:26393610

  15. In situ formation of a MoS2 -based inorganic-organic nanocomposite by directed thermal decomposition.

    PubMed

    Djamil, John; Segler, Stefan A W; Bensch, Wolfgang; Schürmann, Ulrich; Deng, Mao; Kienle, Lorenz; Hansen, Sven; Beweries, Torsten; von Wüllen, Leo; Rosenfeldt, Sabine; Förster, Stephan; Reinsch, Helge

    2015-06-01

    Nanocomposites based on molybdenum disulfide (MoS2 ) and different carbon modifications are intensively investigated in several areas of applications due to their intriguing optical and electrical properties. Addition of a third element may enhance the functionality and application areas of such nanocomposites. Herein, we present a facile synthetic approach based on directed thermal decomposition of (Ph4 P)2 MoS4 generating MoS2 nanocomposites containing carbon and phosphorous. Decomposition at 250 °C yields a composite material with significantly enlarged MoS2 interlayer distances caused by in situ formation of Ph3 PS bonded to the MoS2 slabs through MoS bonds and (Ph4 P)2 S molecules in the van der Waals gap, as was evidenced by (31) P solid-state NMR spectroscopy. Visible-light-driven hydrogen generation demonstrates a high catalytic performance of the materials. PMID:25925691

  16. Singular value decomposition-based reconstruction algorithm for seismic traveltime tomography.

    PubMed

    Song, L P; Zhang, S Y

    1999-01-01

    A reconstruction method is given for seismic transmission traveltime tomography. The method is implemented via the combinations of singular value decomposition, appropriate weighting matrices, and variable regularization parameter. The problem is scaled through the weighting matrices so that the singular spectrum is normalized. Matching the normalized singular values, a regularization parameter varies within the interval [0, 1], and linearly increases with singular value index from a small, initial value rather than a fixed one to eliminate the impacts of smaller singular values' components. The experimental results show that the proposed method is superior to the ordinary singular value decomposition (SVD) methods such as truncated SVD and Tikhonov regularization. PMID:18267533

  17. 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.

  18. Nonphotochemical base-catalyzed hydroxylation of 2,6-dichloroquinone by H2O2 occurs by a radical mechanism.

    PubMed

    Franzen, Stefan; Sasan, Koroush; Sturgeon, Bradley E; Lyon, Blake J; Battenburg, Benjamin J; Gracz, Hanna; Dumariah, Rania; Ghiladi, Reza

    2012-02-01

    Kinetic and structural studies have shown that peroxidases are capable of the oxidation of 2,4,6-trichlorophenol (2,4,6-TCP) to 2,6-dichloro-1,4-benzoquinone (2,6-DCQ). Further reactions of 2,6-DCQ in the presence of H(2)O(2) and OH(-) yield 2,6-dichloro-3-hydroxy-1,4-benzoquinone (2,6-DCQOH). The reactions of 2,6-DCQ have been monitored spectroscopically [UV-visible and electron spin resonance (ESR)] and chromatographically. The hydroxylation product, 2,6-DCQOH, has been observed by UV-visible and characterized structurally by (1)H and (13)C NMR spectroscopy. The results are consistent with a nonphotochemical base-catalyzed oxidation of 2,6-DCQ at pH > 7. Because H(2)O(2) is present in peroxidase reaction mixtures, there is also a potential role for the hydrogen peroxide anion (HOO(-)). However, in agreement with previous work, we observe that the nonphotochemical epoxidation by H(2)O(2) at pH < 7 is immeasurably slow. Both room-temperature ESR and rapid-freeze-quench ESR methods were used to establish that the dominant nonphotochemical mechanism involves formation of a semiquinone radical (base -catalyzed pathway), rather than epoxidation (direct attack by H(2)O(2) at low pH). Analysis of the kinetics using an Arrhenius model permits determination of the activation energy of hydroxylation (E(a) = 36 kJ/mol), which is significantly lower than the activation energy of the peroxidase-catalyzed oxidation of 2,4,6-TCP (E(a) = 56 kJ/mol). However, the reaction is second order in both 2,6-DCQ and OH(-) so that its rate becomes significant above 25 °C due to the increased rate of formation of 2,6-DCQ that feeds the second-order process. The peroxidase used in this study is the dehaloperoxidase-hemoglobin (DHP A) from Amphitrite ornata , which is used to study the effect of a catalyst on the reactions. The control experiments and precedents in studies of other peroxidases lead to the conclusion that hydroxylation will be observed following any process that leads to the

  19. Modeling pollen time series using seasonal-trend decomposition procedure based on LOESS smoothing

    NASA Astrophysics Data System (ADS)

    Rojo, Jesús; Rivero, Rosario; Romero-Morte, Jorge; Fernández-González, Federico; Pérez-Badia, Rosa

    2016-08-01

    Analysis of airborne pollen concentrations provides valuable information on plant phenology and is thus a useful tool in agriculture—for predicting harvests in crops such as the olive and for deciding when to apply phytosanitary treatments—as well as in medicine and the environmental sciences. Variations in airborne pollen concentrations, moreover, are indicators of changing plant life cycles. By modeling pollen time series, we can not only identify the variables influencing pollen levels but also predict future pollen concentrations. In this study, airborne pollen time series were modeled using a seasonal-trend decomposition procedure based on LOcally wEighted Scatterplot Smoothing (LOESS) smoothing (STL). The data series—daily Poaceae pollen concentrations over the period 2006-2014—was broken up into seasonal and residual (stochastic) components. The seasonal component was compared with data on Poaceae flowering phenology obtained by field sampling. Residuals were fitted to a model generated from daily temperature and rainfall values, and daily pollen concentrations, using partial least squares regression (PLSR). This method was then applied to predict daily pollen concentrations for 2014 (independent validation data) using results for the seasonal component of the time series and estimates of the residual component for the period 2006-2013. Correlation between predicted and observed values was r = 0.79 (correlation coefficient) for the pre-peak period (i.e., the period prior to the peak pollen concentration) and r = 0.63 for the post-peak period. Separate analysis of each of the components of the pollen data series enables the sources of variability to be identified more accurately than by analysis of the original non-decomposed data series, and for this reason, this procedure has proved to be a suitable technique for analyzing the main environmental factors influencing airborne pollen concentrations.

  20. Thermochemical pretreatment of lignocellulose to enhance methane fermentation. I. Monosaccharide and furfurals hydrothermal decomposition and product formation rates

    SciTech Connect

    Baugh, K.D.; McCarty, P.L.

    1988-01-01

    Over a pH range 1-4 and temperatures from 170 to 230/sup 0/C, the decomposition rates of xylose, galactose, mannose, glucose, 2-furfural, and 5-hydroxymethyl-2-furfural (5-HMF) were pseudo first order. The effect of temperature and pH on the pseudo first-order decomposition rate constants was modeled using the Arrhenius equation and acid-base catalysis, respectively. Decomposition rates of the monosaccharides were minimum at a pH 2-2.5. Above pH 2.5, the monosaccharide decomposition was base catalyzed, with acid catalysis occurring at a pH of less than 2 for glucose. The furfurals were subject to acid catalysis at below ca. pH 3.5. The hydrothermal conversion of glucose to its decomposition products during thermochemical pretreatment can be modeled as a combination of series and parallel reactions. The formation rates of identified soluble products from glucose decomposition, 5-HMF and levulinic acid, were also functions of temperature and pH. The rate of 5-HMF formation relative to glucose decomposition decreased as the pH increased from 2.0 to 4.0, with levulinic acid formation only detected when the pH was 2.5 or less. For glucose decomposition, humic solids accounted for ca. 20% of the decomposition products.

  1. A fluorescence turn on assay for alkaline phosphatase based on the Cu(2+) catalyzed Fenton-like reaction.

    PubMed

    Zhang, Qingfeng; Zhang, Cuiyun; Shahzad, Sohail Anjum; Yu, Cong

    2016-09-01

    A fluorescence turn-on assay was established for ALP (alkaline phosphatase) based on Cu(2+) catalyzed Fenton-like reaction and Graphene Oxide (GO). GO was utilized to quench the fluorescence of fluorescein (FAM) labeled single strand DNA (F-DNA). ALP can remove the phosphate group in sodium ascorbyl phosphate (SAP), and convert it into reducing ascorbate. Highly reactive hydroxyl radicals (·OH) were generated in the presence of ascorbate and Cu(2+) through the Fenton-like reaction. The reactive radicals generated in situ caused the cleavage of F-DNA into small fragments. When GO was added, the fluorescence emission of the sample without ALP was quenched and fluorescence emission recovered in the presence of ALP. The intensity of the recovered fluorescence was directly related to the concentration of ALP in the assay solution, and a sensitive and selective facile ALP assay is therefore established. PMID:27343614

  2. Synthesis of complex pyridine bases in the reaction of. cap alpha. ,omega-nitrileacetylenes with acetylene, catalyzed by cobalt complexes

    SciTech Connect

    Dzhemilev, U.M.; Selimov, F.A.; Khafizov, V.R.

    1987-01-20

    It has been shown that ..cap alpha..,omega-nitrileacetylenes under the action of homogeneous cobalt-containing catalysts undergo transformations into pyridine derivatives. In order to expand the scope of this method for synthesis of complex pyridine bases, for investigation of the reactivity of nitrileacetylenes of various structure in the reaction of cooligomerization with acetylene, as well as for the introduction to these reactions of new types of ..cap alpha..,omega-nitrileacetylenes, containing in their molecules an oxygen atom, they studied the homo- and codimerization of ..cap alpha..,omega-nitrileacetylenes with acetylene under the action of a Co(2-ethyl hexanoate)/sub 2/-AIR/sub 3/ catalyst in a toluene solution. Cyclodimerization of acetylene with ..cap alpha..,omega-nitrileacetylenes, catalyzed by a Co(2-ethyl hexanoate)/sub 2/-AlEt/sub 3/ system gives new types of mono- and bicyclic pyridines.

  3. Hierarchical decomposition of burn body diagram based on cutaneous functional units and its utility.

    PubMed

    Richard, Reg; Jones, John A; Parshley, Philip

    2015-01-01

    A burn body diagram (BBD) is a common feature used in the delivery of burn care for estimating the TBSA burn as well as calculating fluid resuscitation and nutritional requirements, wound healing, and rehabilitation intervention. However, little change has occurred for over seven decades in the configuration of the BBD. The purpose of this project was to develop a computerized model using hierarchical decomposition (HD) to more precisely determine the percentage burn within a BBD based on cutaneous functional units (CFUs). HD is a process by which a system is degraded into smaller parts that are more precise in their use. CFUs were previously identified fields of the skin involved in the range of motion. A standard Lund/Browder (LB) BBD template was used as the starting point to apply the CFU segments. LB body divisions were parceled down into smaller body area divisions through a HD process based on the CFU concept. A numerical pattern schema was used to label the various segments in a cephalo/caudal, anterior/posterior, medial/lateral manner. Hand/fingers were divided based on anatomical landmarks and known cutaneokinematic function. The face was considered using aesthetic units. Computer code was written to apply the numeric hierarchical schema to CFUs and applied within the context of the surface area graphic evaluation BBD program. Each segmented CFU was coded to express 100% of itself. The CFU/HD method refined the standard LB diagram from 13 body segments and 33 subdivisions into 182 isolated CFUs. Associated CFUs were reconstituted into 219 various surface area combinations totaling 401 possible surface segments. The CFU/HD schema of the body surface mapping is applicable to measuring and calculating percent wound healing in a more precise manner. It eliminates subjective assessment of the percentage wound healing and the need for additional devices such as planimetry. The development of CFU/HD body mapping schema has rendered a technologically advanced

  4. L1 Norm based common spatial patterns decomposition for scalp EEG BCI

    PubMed Central

    2013-01-01

    Background Brain computer interfaces (BCI) is one of the most popular branches in biomedical engineering. It aims at constructing a communication between the disabled persons and the auxiliary equipments in order to improve the patients’ life. In motor imagery (MI) based BCI, one of the popular feature extraction strategies is Common Spatial Patterns (CSP). In practical BCI situation, scalp EEG inevitably has the outlier and artifacts introduced by ocular, head motion or the loose contact of electrodes in scalp EEG recordings. Because outlier and artifacts are usually observed with large amplitude, when CSP is solved in view of L2 norm, the effect of outlier and artifacts will be exaggerated due to the imposing of square to outliers, which will finally influence the MI based BCI performance. While, L1 norm will lower the outlier effects as proved in other application fields like EEG inverse problem, face recognition, etc. Methods In this paper, we present a new CSP implementation using the L1 norm technique, instead of the L2 norm, to solve the eigen problem for spatial filter estimation with aim to improve the robustness of CSP to outliers. To evaluate the performance of our method, we applied our method as well as the standard CSP and the regularized CSP with Tikhonov regularization (TR-CSP), on both the peer BCI dataset with simulated outliers and the dataset from the MI BCI system developed in our group. The McNemar test is used to investigate whether the difference among the three CSPs is of statistical significance. Results The results of both the simulation and real BCI datasets consistently reveal that the proposed method has much higher classification accuracies than the conventional CSP and the TR-CSP. Conclusions By combining L1 norm based Eigen decomposition into Common Spatial Patterns, the proposed approach can effectively improve the robustness of BCI system to EEG outliers and thus be potential for the actual MI BCI application, where outliers are

  5. Efficient Solvers for Linear Elasticity Problems Based on the Discrete Fourier Transform and TFETI Decomposition

    NASA Astrophysics Data System (ADS)

    Mocek, Lukas; Kozubek, Tomas

    2011-09-01

    The paper deals with the numerical solution of elliptic boundary value problems for 2D linear elasticity using the fictitious domain method in combination with the discrete Fourier transform and the FETI domain decomposition. We briefly mention the theoretical background of these methods, introduce resulting solvers, and demonstrate their efficiency on model benchmarks.

  6. Development of new palladium(0)-catalyzed reactions based on novel oxidative addition mode.

    PubMed

    Tsukamoto, Hirokazu

    2008-09-01

    We have developed palladium(0)/monophosphine-catalyzed trans-selective arylative, alkenylative, alkylative, and alkynylative cyclization reactions of alkyne-aldehydes and -ketones with organoboron reagents. These reactions afford six-membered allylic alcohols with endo tri- or tetra-substituted olefin groups and/or five-membered counterparts with exo olefin groups. The ratios of these products are dramatically affected by alkyne substituents as well as the phosphine ligand. The remarkable trans selectivity of the process results from the novel reaction mechanism involving 'anti-Wacker'-type oxidative addition. Although the cyclization reactions are influenced by the length of the tether between the alkyne and carbonyl group, they can be applied to a multi-component synthesis of biologically important indenes bearing three substituent groups at 1, 2, 3-positions from available o-ethynylbenzaldehyde derivatives. A two-component coupling reaction in methanol provides 1H-indenols, while a three-component reaction involving secondary aliphatic amines as the third component in DMF affords 1H-indenamines. This method allows combinatorial preparation of unsymmetrically substituted 1H-indenes that cannot be prepared via previous synthetic routes. The same catalytic system can also transform allene-carbonyl compounds into 3-cyclohexenols and -cyclopentenols with alkyl, aryl, alkenyl, alkynyl, and boryl groups at C-3. Microwave irradiation efficiently increases not only the reaction rate but also the product yield by suppressing formation of hydroarylation byproducts. Cyclization of optically active 1,3-disubstituted allene-aldehyde reveals that the reaction proceeds through not carbopalladation but 'anti-Wacker'-type oxidative addition. PMID:18758139

  7. Pd-catalyzed asymmetric allylic etherification using chiral biphenol-based diphosphinite ligands and its application for the formal total synthesis of (-)-galanthamine.

    PubMed

    Zang, Yang; Ojima, Iwao

    2013-04-19

    A library of novel chiral biphenol-based diphosphinite (BOP) ligands was designed and created. These BOP ligands were applied to a Pd-catalyzed intermolecular allylic etherification reaction, which provided a key intermediate for the formal total synthesis of (-)-galanthamine with 97% ee in 97% yield. PMID:23472673

  8. Distance-Based Functional Diversity Measures and Their Decomposition: A Framework Based on Hill Numbers

    PubMed Central

    Chiu, Chun-Huo; Chao, Anne

    2014-01-01

    Hill numbers (or the “effective number of species”) are increasingly used to characterize species diversity of an assemblage. This work extends Hill numbers to incorporate species pairwise functional distances calculated from species traits. We derive a parametric class of functional Hill numbers, which quantify “the effective number of equally abundant and (functionally) equally distinct species” in an assemblage. We also propose a class of mean functional diversity (per species), which quantifies the effective sum of functional distances between a fixed species to all other species. The product of the functional Hill number and the mean functional diversity thus quantifies the (total) functional diversity, i.e., the effective total distance between species of the assemblage. The three measures (functional Hill numbers, mean functional diversity and total functional diversity) quantify different aspects of species trait space, and all are based on species abundance and species pairwise functional distances. When all species are equally distinct, our functional Hill numbers reduce to ordinary Hill numbers. When species abundances are not considered or species are equally abundant, our total functional diversity reduces to the sum of all pairwise distances between species of an assemblage. The functional Hill numbers and the mean functional diversity both satisfy a replication principle, implying the total functional diversity satisfies a quadratic replication principle. When there are multiple assemblages defined by the investigator, each of the three measures of the pooled assemblage (gamma) can be multiplicatively decomposed into alpha and beta components, and the two components are independent. The resulting beta component measures pure functional differentiation among assemblages and can be further transformed to obtain several classes of normalized functional similarity (or differentiation) measures, including N-assemblage functional generalizations of

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

    SciTech Connect

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

    2014-07-15

    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.

  10. Polarimetric SAR Data Gmm Classification Based on Improved Freeman Incoherent Decomposition

    NASA Astrophysics Data System (ADS)

    Rouabah, S.; Ouarzeddine, M.; Azmedroub, B.

    2016-06-01

    Due to the increasing volume of available SAR Data, powerful classification processings are needed to interpret the images. GMM (Gaussian Mixture Model) is widely used to model distributions. In most applications, GMM algorithm is directly applied on raw SAR data, its disadvantage is that forest and urban areas are classified with the same label and gives problems in interpretation. In this paper, a combination between the improved Freeman decomposition and GMM classification is proposed. The improved Freeman decomposition powers are used as feature vectors for GMM classification. The E-SAR polarimetric image acquired over Oberpfaffenhofen in Germany is used as data set. The result shows that the proposed combination can solve the standard GMM classification problem.

  11. Pt/TiO2 (Rutile) Catalysts for Sulfuric Acid Decomposition in Sulfur-Based Thermochemical Water-Splitting Cycles

    SciTech Connect

    L. M. Petkovic; D. M. Ginosar; H. W. Rollins; K. C. Burch; P. J. Pinhero; H. H. Farrell

    2008-04-01

    Thermochemical cycles consist of a series of chemical reactions to produce hydrogen from water at lower temperatures than by direct thermal decomposition. All the sulfur-based cycles for water splitting employ the sulfuric acid decomposition reaction. This work reports the studies performed on platinum supported on titania (rutile) catalysts to investigate the causes of catalyst deactivation under sulfuric acid decomposition reaction conditions. Samples of 1 wt% Pt/TiO2 (rutile) catalysts were submitted to flowing concentrated sulfuric acid at 1123 K and atmospheric pressure for different times on stream (TOS) between 0 and 548 h. Post-operation analyses of the spent catalyst samples showed that Pt oxidation and sintering occurred under reaction conditions and some Pt was lost by volatilization. Pt loss rate was higher at initial times but total loss appeared to be independent of the gaseous environment. Catalyst activity showed an initial decrease that lasted for about 66 h, followed by a slight recovery of activity between 66 and 102 h TOS, and a period of slower deactivation after 102 h TOS. Catalyst sulfation did not seem to be detrimental to catalyst activity and the activity profile suggested that a complex dynamical situation involving platinum sintering, volatilization, and oxidation, along with TiO2 morphological changes affected catalyst activity in a non-monotonic way.

  12. 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

  13. Decomposition of 2-chloroethylethylsulfide on copper oxides to detoxify polymer-based spherical activated carbons from chemical warfare agents.

    PubMed

    Fichtner, S; Hofmann, J; Möller, A; Schrage, C; Giebelhausen, J M; Böhringer, B; Gläser, R

    2013-11-15

    For the decomposition of chemical warfare agents, a hybrid material concept was applied. This consists of a copper oxide-containing phase as a component with reactive functionality supported on polymer-based spherical activated carbon (PBSAC) as a component with adsorptive functionality. A corresponding hybrid material was prepared by impregnation of PBSAC with copper(II)nitrate and subsequent calcination at 673K. The copper phase exists predominantly as copper(I)oxide which is homogeneously distributed over the PBSAC particles. The hybrid material containing 16 wt.% copper on PBSAC is capable of self-detoxifying the mustard gas surrogate 2-chloroethylethylsulfide (CEES) at room temperature. The decomposition is related to the breakthrough behavior of the reactant CEES, which displaces the reaction product ethylvinylsulfide (EVS). This leads to a combined breakthrough of CEES and EVS. The decomposition of CEES is shown to occur catalytically over the copper-containing PBSAC material. Thus, the hybrid material can even be considered to be self-cleaning. PMID:24140529

  14. Catalytic decomposition of H2O2 over Fe-based catalysts for simultaneous removal of NOX and SO2

    NASA Astrophysics Data System (ADS)

    Huang, Xianming; Ding, Jie; Zhong, Qin

    2015-01-01

    Simultaneous flue gas desulfurization and denitrification were achieved with rad OH radicals from the decomposition of H2O2 over hematite (Fe) as well as hematite supported on alumina (Fe-Al) and anatase (Fe-Ti). Under all conditions, SO2 achieved 100% removal, whereas NOX removal varies with the catalysts. The supporting of Fe over aluminum enhances the catalytic removal of NOX, whereas that of anatase presents negative effect. The NOX removal is determined by the decomposition rate of H2O2 into rad OH radicals over sbnd OH bonded with Fe (Fe-OH). The supporting of Fe over alumina enhances the content of Fe-OH and the points of zero charge (PZC) values, which are beneficial for the production of rad OH radicals. The supporting of Fe over anatase results in the formation of FeOTi, which cannot decompose H2O2 into rad OH radicals. Furthermore, H2O2 tends more to be reacted with TiOH to produce O2 over Fe-Ti. Finally, the enhancement mechanism of H2O2 decomposition over Fe-based catalysts is speculated. It has a contribution to the correct choice for supports and active ingredients of the catalyst in the future industrial applications.

  15. 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

  16. 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.

  17. Dynamic load balancing algorithm for molecular dynamics based on Voronoi cells domain decompositions

    SciTech Connect

    Fattebert, J.-L.; Richards, D.F.; Glosli, J.N.

    2012-12-01

    We present a new algorithm for automatic parallel load balancing in classical molecular dynamics. It assumes a spatial domain decomposition of particles into Voronoi cells. It is a gradient method which attempts to minimize a cost function by displacing Voronoi sites associated with each processor/sub-domain along steepest descent directions. Excellent load balance has been obtained for quasi-2D and 3D practical applications, with up to 440·106 particles on 65,536 MPI tasks.

  18. Hazardous materials: Microbiological decomposition. (lLtest citations from the Biobusiness data base). Published Search

    SciTech Connect

    Not Available

    1992-05-01

    The bibliography contains citations concerning the decomposition of toxic materials by biological means. Bacteria, enzymes, and bioluminescence are among the methods discussed. Bacteria and enzymes that digest toluene, polychlorinated biphenyls (PCBs), selenium wastes, oil shale waste, uranium, oil sludge, pesticides, rubber wastes, and pentachlorophenol are discussed. Flavobacterium and white rot fungus are among the biological agents highlighted. (Contains 250 citations and includes a subject term index and title list.)

  19. A Reconfigurable Sound Wave Decomposition Filterbank for Hearing Aids Based on Nonlinear Transformation.

    PubMed

    Huang, Shaoguang; Tian, Lan; Ma, Xiaojie; Wei, Ying

    2016-04-01

    Hearing impaired people have their own hearing loss characteristics and listening preferences. Therefore hearing aid system should become more natural, humanized and personalized, which requires the filterbank in hearing aids provides flexible sound wave decomposition schemes, so that patients are likely to use the most suitable scheme for their own hearing compensation strategy. In this paper, a reconfigurable sound wave decomposition filterbank is proposed. The prototype filter is first cosine modulated to generate uniform subbands. Then by non-linear transformation the uniform subbands are mapped to nonuniform subbands. By changing the control parameters, the nonlinear transformation changes which leads to different subbands allocations. It provides four different sound wave decomposition schemes without changing the structure of the filterbank. The performance of the proposed reconfigurable filterbank was compared with that of fixed filerbanks, fully customizable filterbanks and other existing reconfigurable filterbanks. It is shown that the proposed filterbank provides satisfactory matching performance as well as low complexity and delay, which make it suitable for real hearing aid applications. PMID:26168447

  20. 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. PMID:24299780

  1. Contaminated Groundwater Remediation by Catalyzed Hydrogen Peroxide and Persulfate Oxidants System

    NASA Astrophysics Data System (ADS)

    Yan, N.; Wang, Y.; Brusseau, M. L.

    2014-12-01

    A binary oxidant system, catalyzed hydrogen peroxide (H2O2) coupled with persulfate (S2O82-), was investigated for use in in-situ chemical oxidation (ISCO) applications. Trichloroethene (TCE) and 1,4-dioxane were used as target contaminants. Batch experiments were conducted to investigate the catalytic efficiency between ferrous ion (Fe2+) and base (NaOH), oxidant decomposition rates, and contaminant degradation efficiency. For the base-catalyzed H2O2-S2O82- system, oxidant release was moderate and sustained over the entire test period of 96 hours. Conversely, the oxidants were depleted within 24 hours for the Fe2+-catalyzed system. Solution pH decreased slightly for the Fe2+-catalyzed system, whereas the pH increased for the base-catalyzed system. The rates of degradation for TCE and 1,4-dioxane are compared as a function of system conditions. The results of this study indicate that the binary H2O2-S2O82- oxidant system is effective for oxidation of the tested contaminants.

  2. A highly sensitive quartz crystal microbalance immunosensor based on magnetic bead-supported bienzymes catalyzed mass enhancement strategy.

    PubMed

    Akter, Rashida; Rhee, Choong Kyun; Rahman, Md Aminur

    2015-04-15

    A highly sensitive quartz crystal microbalance (QCM) immunosensor based on magnetic bead-supported bienzyme catalyzed mass enhanced strategy was developed for the detection of human immunoglobulin G (hIgG) protein. The high sensitive detection was achieved by increasing the deposited mass on the QCM crystal through the enhanced precipitation of 4-chloro-1-naphthol (CN) using higher amounts of horseradish peroxidase (HRP) and glucose oxidase (GOx) bienzymes attached on the magnetic beads (MB). The protein A (PA) and capture antibody (monoclonal anti-human IgG antibody produced in mouse, Ab1)-based QCM probe and the detection antibody (anti-human IgG antibody produced in goat, Ab2)-based MB/HRP/GOx bienzymatic bioconjugates were characterized using scanning electron microscope, transmission electron microscope, cyclic voltammetry, and electrochemical impedance spectroscopy techniques. Under the optimized experimental condition, the linear range and the detection limit of hIgG immunosensor were determined to be 5.0pg/mL-20.0ng/mL and 5.0±0.18pg/mL, respectively. The applicability of the present hIgG immunosensor was examined in hIgG spiked human serum samples and excellent recoveries of hIgG were obtained. PMID:25506902

  3. 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.

  4. Radiocarbon-based assessments of the role of fungal species in decomposition

    NASA Astrophysics Data System (ADS)

    Treseder, K. K.; Lansing, J. L.; Choi, N.

    2004-12-01

    We used natural radiocarbon signatures to determine if species of decomposer fungi specialize on different pools of organic matter in the soil. Specifically, we examined natural radiocarbon signatures of mushrooms to estimate the average integrated age of C compounds metabolized by individual species. This method takes advantage of rapid changes in atmospheric radiocarbon signatures of carbon dioxide since the early 1960s, when several years of above-ground weapons testing produced a spike in atmospheric Δ 14C. This signature has been rapidly declining since then. Therefore, we can measure radiocarbon signatures of tissues and determine the time at which their component C was originally photosynthesized. We conducted our study in a fire chronosequence in boreal forests near Delta Junction, Alaska. The chronosequence includes sites burned in severe fires during the summers of 1999, 1987, and 1956. A "control" site was established in a neighboring 80 yr old black spruce forest. In 2002, we collected mushrooms each week from six 50 m long transects in each site. Mushrooms were weighed and assigned to species based on morphological and molecular analyses (i.e. typing by restriction fragment length polymorphism). Saprotrophic species could be distinguished from ectomycorrhizal species based on 15N and 13C signatures. Specifically, saprotrophic mushrooms had δ 15N values less than 4.66\\permil and δ 13C values greater than -23.1\\permil. We then measured the Δ 14C values of mushrooms from 20 of the most abundant saprotrophic species. Radiocarbon signatures varied widely among species, implying that species take up C from compounds that range in turnover time. For example, fungi of the Polyporaceae often grow on woody debris in our sites, and their Δ 14C signatures (-65.1 to 15.0\\permil) indicate the use of several decades-old, recalcitrant C. These fungi are known to possess the necessary enzymes for lignin degradation, so lignocellulose is a likely C source. In

  5. Ultrafast degradation of azo dyes catalyzed by cobalt-based metallic glass

    NASA Astrophysics Data System (ADS)

    Qin, X. D.; Zhu, Z. W.; Liu, G.; Fu, H. M.; Zhang, H. W.; Wang, A. M.; Li, H.; Zhang, H. F.

    2015-12-01

    Reactivity and mass loss are considered mutually exclusive in conventional zero-valent metal (ZVM) technology to treat environmental contaminants. Here, we report the outstanding performance of Co-based metallic glass (MG) in degrading an aqueous solution of azo dye, thus eliminating this trade-off. Ball-milled Co-based MG powders completely degrade Acid Orange II at an ultrafast rate. The surface-area-normalized rate constant of Co-based MG powders was one order of magnitude higher than that of Co-based crystalline counterparts and three orders of magnitude higher than that of the widely studied Fe0 powders. The coordinatively unsaturated local structure in Co-based MG responds to the catalysis for degradation, resulting in very low mass loss. Wide applicability and good reusability were also present. Co-based MG is the most efficient material for azo dye degradation reported thus far, and will promote the practical application of MGs as functional materials.

  6. A growth kinetics model of rate decomposition for Si1-xGex alloy based on dimer theory

    NASA Astrophysics Data System (ADS)

    Dai, Xian-Ying; Ji, Yao; Hao, Yue

    2014-01-01

    According to the dimer theory on semiconductor surface and chemical vapor deposition(CVD) growth characteristics of Si1-xGex, two mechanisms of rate decomposition and discrete flow density are proposed. Based on these two mechanisms, the Grove theory and Fick's first law, a CVD growth kinetics model of Si1-xGex alloy is established. In order to make the model more accurate, two growth control mechanisms of vapor transport and surface reaction are taken into account. The paper also considers the influence of the dimer structure on the growth rate. The results show that the model calculated value is consistent with the experimental values at different temperatures.

  7. Tissue decomposition from dual energy CT data for MC based dose calculation in particle therapy

    PubMed Central

    Hünemohr, Nora; Paganetti, Harald; Greilich, Steffen; Jäkel, Oliver; Seco, Joao

    2014-01-01

    Purpose: The authors describe a novel method of predicting mass density and elemental mass fractions of tissues from dual energy CT (DECT) data for Monte Carlo (MC) based dose planning. Methods: The relative electron density ϱe and effective atomic number Zeff are calculated for 71 tabulated tissue compositions. For MC simulations, the mass density is derived via one linear fit in the ϱe that covers the entire range of tissue compositions (except lung tissue). Elemental mass fractions are predicted from the ϱe and the Zeff in combination. Since particle therapy dose planning and verification is especially sensitive to accurate material assignment, differences to the ground truth are further analyzed for mass density, I-value predictions, and stopping power ratios (SPR) for ions. Dose studies with monoenergetic proton and carbon ions in 12 tissues which showed the largest differences of single energy CT (SECT) to DECT are presented with respect to range uncertainties. The standard approach (SECT) and the new DECT approach are compared to reference Bragg peak positions. Results: Mean deviations to ground truth in mass density predictions could be reduced for soft tissue from (0.5±0.6)% (SECT) to (0.2±0.2)% with the DECT method. Maximum SPR deviations could be reduced significantly for soft tissue from 3.1% (SECT) to 0.7% (DECT) and for bone tissue from 0.8% to 0.1%. Mean I-value deviations could be reduced for soft tissue from (1.1±1.4%, SECT) to (0.4±0.3%) with the presented method. Predictions of elemental composition were improved for every element. Mean and maximum deviations from ground truth of all elemental mass fractions could be reduced by at least a half with DECT compared to SECT (except soft tissue hydrogen and nitrogen where the reduction was slightly smaller). The carbon and oxygen mass fraction predictions profit especially from the DECT information. Dose studies showed that most of the 12 selected tissues would profit significantly (up to 2

  8. Tissue decomposition from dual energy CT data for MC based dose calculation in particle therapy

    SciTech Connect

    Hünemohr, Nora Greilich, Steffen; Paganetti, Harald; Seco, Joao; Jäkel, Oliver

    2014-06-15

    Purpose: The authors describe a novel method of predicting mass density and elemental mass fractions of tissues from dual energy CT (DECT) data for Monte Carlo (MC) based dose planning. Methods: The relative electron density ϱ{sub e} and effective atomic number Z{sub eff} are calculated for 71 tabulated tissue compositions. For MC simulations, the mass density is derived via one linear fit in the ϱ{sub e} that covers the entire range of tissue compositions (except lung tissue). Elemental mass fractions are predicted from the ϱ{sub e} and the Z{sub eff} in combination. Since particle therapy dose planning and verification is especially sensitive to accurate material assignment, differences to the ground truth are further analyzed for mass density, I-value predictions, and stopping power ratios (SPR) for ions. Dose studies with monoenergetic proton and carbon ions in 12 tissues which showed the largest differences of single energy CT (SECT) to DECT are presented with respect to range uncertainties. The standard approach (SECT) and the new DECT approach are compared to reference Bragg peak positions. Results: Mean deviations to ground truth in mass density predictions could be reduced for soft tissue from (0.5±0.6)% (SECT) to (0.2±0.2)% with the DECT method. Maximum SPR deviations could be reduced significantly for soft tissue from 3.1% (SECT) to 0.7% (DECT) and for bone tissue from 0.8% to 0.1%. MeanI-value deviations could be reduced for soft tissue from (1.1±1.4%, SECT) to (0.4±0.3%) with the presented method. Predictions of elemental composition were improved for every element. Mean and maximum deviations from ground truth of all elemental mass fractions could be reduced by at least a half with DECT compared to SECT (except soft tissue hydrogen and nitrogen where the reduction was slightly smaller). The carbon and oxygen mass fraction predictions profit especially from the DECT information. Dose studies showed that most of the 12 selected tissues would

  9. Bifunctional Brønsted Base Catalyzes Direct Asymmetric Aldol Reaction of α-Keto Amides.

    PubMed

    Echave, Haizea; López, Rosa; Palomo, Claudio

    2016-03-01

    The first enantioselective direct cross-aldol reaction of α-keto amides with aldehydes, mediated by a bifunctional ureidopeptide-based Brønsted base catalyst, is described. The appropriate combination of a tertiary amine base and an aminal, and urea hydrogen-bond donor groups in the catalyst structure promoted the exclusive generation of the α-keto amide enolate which reacted with either non-enolizable or enolizable aldehydes to produce highly enantioenriched polyoxygenated aldol adducts without side-products resulting from dehydration, α-keto amide self-condensation, aldehyde enolization, and isotetronic acid formation. PMID:26835655

  10. Ultrafast degradation of azo dyes catalyzed by cobalt-based metallic glass.

    PubMed

    Qin, X D; Zhu, Z W; Liu, G; Fu, H M; Zhang, H W; Wang, A M; Li, H; Zhang, H F

    2015-01-01

    Reactivity and mass loss are considered mutually exclusive in conventional zero-valent metal (ZVM) technology to treat environmental contaminants. Here, we report the outstanding performance of Co-based metallic glass (MG) in degrading an aqueous solution of azo dye, thus eliminating this trade-off. Ball-milled Co-based MG powders completely degrade Acid Orange II at an ultrafast rate. The surface-area-normalized rate constant of Co-based MG powders was one order of magnitude higher than that of Co-based crystalline counterparts and three orders of magnitude higher than that of the widely studied Fe(0) powders. The coordinatively unsaturated local structure in Co-based MG responds to the catalysis for degradation, resulting in very low mass loss. Wide applicability and good reusability were also present. Co-based MG is the most efficient material for azo dye degradation reported thus far, and will promote the practical application of MGs as functional materials. PMID:26656918

  11. Ultrafast degradation of azo dyes catalyzed by cobalt-based metallic glass

    PubMed Central

    Qin, X. D.; Zhu, Z. W.; Liu, G.; Fu, H. M.; Zhang, H. W.; Wang, A. M.; Li, H.; Zhang, H. F.

    2015-01-01

    Reactivity and mass loss are considered mutually exclusive in conventional zero-valent metal (ZVM) technology to treat environmental contaminants. Here, we report the outstanding performance of Co-based metallic glass (MG) in degrading an aqueous solution of azo dye, thus eliminating this trade-off. Ball-milled Co-based MG powders completely degrade Acid Orange II at an ultrafast rate. The surface-area-normalized rate constant of Co-based MG powders was one order of magnitude higher than that of Co-based crystalline counterparts and three orders of magnitude higher than that of the widely studied Fe0 powders. The coordinatively unsaturated local structure in Co-based MG responds to the catalysis for degradation, resulting in very low mass loss. Wide applicability and good reusability were also present. Co-based MG is the most efficient material for azo dye degradation reported thus far, and will promote the practical application of MGs as functional materials. PMID:26656918

  12. Effect of Palladium Form on Tetraphenylborate Decomposition Rate

    SciTech Connect

    Walker, D.D.

    1998-04-28

    Palladium catalyzes the decomposition of tetraphenylborate in alkaline solutions. Researchers postulate several decomposition mechanisms that differ in the form of the palladium catalyst. Potential forms include solid and soluble, different soluble species (such as aqueous or organic soluble), and different oxidation states (i.e., 0, II, and IV). Initial tests measured the reactivity and distribution of four Pd forms in tetraphenylborate slurries.

  13. Conditional-likelihood approach to material decomposition in spectral absorption-based or phase-contrast CT

    NASA Astrophysics Data System (ADS)

    Baturin, Pavlo

    2015-03-01

    Material decomposition in absorption-based X-ray CT imaging suffers certain inefficiencies when differentiating among soft tissue materials. To address this problem, decomposition techniques turn to spectral CT, which has gained popularity over the last few years. Although proven to be more effective, such techniques are primarily limited to the identification of contrast agents and soft and bone-like materials. In this work, we introduce a novel conditional likelihood, material-decomposition method capable of identifying any type of material objects scanned by spectral CT. The method takes advantage of the statistical independence of spectral data to assign likelihood values to each of the materials on a pixel-by-pixel basis. It results in likelihood images for each material, which can be further processed by setting certain conditions or thresholds, to yield a final material-diagnostic image. The method can also utilize phase-contrast CT (PCI) data, where measured absorption and phase-shift information can be treated as statistically independent datasets. In this method, the following cases were simulated: (i) single-scan PCI CT, (ii) spectral PCI CT, (iii) absorption-based spectral CT, and (iv) single-scan PCI CT with an added tumor mass. All cases were analyzed using a digital breast phantom; although, any other objects or materials could be used instead. As a result, all materials were identified, as expected, according to their assignment in the digital phantom. Materials with similar attenuation or phase-shift values (e.g., glandular tissue, skin, and tumor masses) were especially successfully when differentiated by the likelihood approach.

  14. 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

  15. Structural investigation of oxovanadium(IV) Schiff base complexes: X-ray crystallography, electrochemistry and kinetic of thermal decomposition

    NASA Astrophysics Data System (ADS)

    Asadi, Mozaffar; Asadi, Zahra; Savaripoor, Nooshin; Dusek, Michal; Eigner, Vaclav; Shorkaei, Mohammad Ranjkesh; Sedaghat, Moslem

    2015-02-01

    A series of new VO(IV) complexes of tetradentate N2O2 Schiff base ligands (L1-L4), were synthesized and characterized by FT-IR, UV-vis and elemental analysis. The structure of the complex VOL1ṡDMF 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: MeO < H < Br < Cl. We also studied the thermodynamics of formation of the complexes and kinetic aspects of their thermal decomposition. 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 VOL1ṡDMF yielded also another compound, one kind of vanadium oxide [VO]X, with different habitus of crystals, (platelet instead of prisma) and without L1 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.

  16. Recognition based on two separated singular value decomposition-enriched faces

    NASA Astrophysics Data System (ADS)

    Wang, Jing-Wein; Le, Ngoc Tuyen; Lee, Jiann-Shu; Wang, Chou-Chen

    2014-11-01

    In previous studies on human face recognition, illumination pretreatment has been considered to be among the most crucial steps. We propose the illumination compensation algorithm two separated singular value decomposition (TSVD). TSVD consists of two parts, namely the division of high- and low-level images and singular value decomposition, which are implemented according to self-adapted illumination compensation to resolve the problems associated with strong variation of light and to improve face recognition performance. The mean color values of the three color channels R, G, and B are used as the thresholds, and two subimages of two types of light levels are then input with the division of the maximal mean and minimal mean, which are incorporated with light templates at various horizontal levels. The dynamic compensation coefficient is proportionately adjusted to reconstruct the subimages. Finally, two subimages are integrated to achieve illumination compensation. In addition, we combined TSVD and the projection color space (PCS) to design a new method for converting the color space called the two-level PCS. Experimental results demonstrated the efficiency of our proposed method. The proposed method not only makes the skin color of facial images appear softer but also substantially improves the accuracy of face recognition, even in facial images that were taken under conditions of lateral light or exhibit variations in posture.

  17. Improved contrast of materials based on multi-voltage images decomposition in X-ray CT

    NASA Astrophysics Data System (ADS)

    Wei, Jiaotong; Han, Yan; Chen, Ping

    2016-02-01

    A polychromatic X-ray beam results in hardening artefacts and contrast reduction in the reconstructed image, increasing the difficulty of distinguishing materials with approximately linear attenuation coefficients. For this reason, a model is proposed to decompose multi-voltage X-ray images into many ‘narrow-energy-width’ X-ray images by minimizing the weighted sum of the squared error in decomposition. This approach requires no change of hardware in the typical computed tomography imaging system. The ‘narrow-energy-width’ projection is obtained directly from the decomposition and is used to reconstruct the image. The distinction among materials with approximately linear attenuation coefficients is enlarged in the ‘narrow-energy-width’ reconstructed image. A cylinder composed of aluminium and silicon is used in the verification experiment. The contrast of silicon and aluminium is improved, and there is a significant difference between silicon and aluminium in the ‘narrow-energy-width’ reconstructed image, demonstrating the effectiveness of the proposed method.

  18. Automated polyp measurement based on colon structure decomposition for CT colonography

    NASA Astrophysics Data System (ADS)

    Wang, Huafeng; Li, Lihong C.; Han, Hao; Peng, Hao; Song, Bowen; Wei, Xinzhou; Liang, Zhengrong

    2014-03-01

    Accurate assessment of colorectal polyp size is of great significance for early diagnosis and management of colorectal cancers. Due to the complexity of colon structure, polyps with diverse geometric characteristics grow from different landform surfaces. In this paper, we present a new colon decomposition approach for polyp measurement. We first apply an efficient maximum a posteriori expectation-maximization (MAP-EM) partial volume segmentation algorithm to achieve an effective electronic cleansing on colon. The global colon structure is then decomposed into different kinds of morphological shapes, e.g. haustral folds or haustral wall. Meanwhile, the polyp location is identified by an automatic computer aided detection algorithm. By integrating the colon structure decomposition with the computer aided detection system, a patch volume of colon polyps is extracted. Thus, polyp size assessment can be achieved by finding abnormal protrusion on a relative uniform morphological surface from the decomposed colon landform. We evaluated our method via physical phantom and clinical datasets. Experiment results demonstrate the feasibility of our method in consistently quantifying the size of polyp volume and, therefore, facilitating characterizing for clinical management.

  19. Electronic cleansing for dual-energy CT colonography based on material decomposition and virtual monochromatic imaging

    NASA Astrophysics Data System (ADS)

    Tachibana, Rie; Näppi, Janne J.; Kim, Se Hyung; Yoshida, Hiroyuki

    2015-03-01

    CT colonography (CTC) uses orally administered fecal-tagging agents to enhance retained fluid and feces that would otherwise obscure or imitate polyps on CTC images. To visualize the complete region of colon without residual materials, electronic cleansing (EC) can be used to perform virtual subtraction of the tagged materials from CTC images. However, current EC methods produce subtraction artifacts and they can fail to subtract unclearly tagged feces. We developed a novel multi-material EC (MUMA-EC) method that uses dual-energy CTC (DE-CTC) and machine-learning methods to improve the performance of EC. In our method, material decomposition is performed to calculate wateriodine decomposition images and virtual monochromatic (VIM) images. Using the images, a random forest classifier is used to label the regions of lumen air, soft tissue, fecal tagging, and their partial-volume boundaries. The electronically cleansed images are synthesized from the multi-material and VIM image volumes. For pilot evaluation, we acquired the clinical DE-CTC data of 7 patients. Preliminary results suggest that the proposed MUMA-EC method is effective and that it minimizes the three types of image artifacts that were present in previous EC methods.

  20. 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.

  1. Principal interval decomposition framework for POD-based model reduction of convective flows

    NASA Astrophysics Data System (ADS)

    San, Omer; Borggaard, Jeff

    2015-11-01

    A principal interval decomposition (PID) framework is proposed to build more reliable reduced-order models for unsteady flow problems. The PID method optimizes the lengths of the time windows over which proper orthogonal decomposition (POD) is performed and can be highly effective in building reduced-order models for convective problems. The performance of these POD models with and without using the PID approach is investigated by applying these methods to the unsteady lock-exchange flow problem modeled by solving the Boussinesq equations in vorticity-streamfunction formulation. This benchmark problem exhibits a strong shear flow induced by a temperature jump and results in the Kelvin-Helmholtz instability. This is considered a challenging benchmark problem for the development of reduced order models. The predictive performance of our model is then analyzed over a wide range of computational modeling and physical parameters. It is shown that the PID approach provides a significant improvement in accuracy over the standard Galerkin POD reduced-order model. Our numerical assessment of the PID shows that it may represent a reliable model reduction tool for convection-dominated, unsteady-flow problems.

  2. Asynchronous space-time algorithm based on a domain decomposition method for structural dynamics problems on non-matching meshes

    NASA Astrophysics Data System (ADS)

    Subber, Waad; Matouš, Karel

    2016-02-01

    Large-scale practical engineering problems featuring localized phenomena often benefit from local control of mesh and time resolutions to efficiently capture the spatial and temporal scales of interest. To this end, we propose an asynchronous space-time algorithm based on a domain decomposition method for structural dynamics problems on non-matching meshes. The three-field algorithm is based on the dual-primal like domain decomposition approach utilizing the localized Lagrange multipliers along the space and time common-refinement-based interface. The proposed algorithm is parallel in nature and well suited for a heterogeneous computing environment. Moreover, two-levels of parallelism are embedded in this novel scheme. For linear dynamical problems, the algorithm is unconditionally stable, shows an optimal order of convergence with respect to space and time discretizations as well as ensures conservation of mass, momentum and energy across the non-matching grid interfaces. The method of manufactured solutions is used to verify the implementation, and an engineering application is considered, where a sandwich plate is impacted by a projectile.

  3. A Class-Information-Based Penalized Matrix Decomposition for Identifying Plants Core Genes Responding to Abiotic Stresses

    PubMed Central

    Liu, Jin-Xing; Liu, Jian; Gao, Ying-Lian; Mi, Jian-Xun; Ma, Chun-Xia; Wang, Dong

    2014-01-01

    In terms of making genes expression data more interpretable and comprehensible, there exists a significant superiority on sparse methods. Many sparse methods, such as penalized matrix decomposition (PMD) and sparse principal component analysis (SPCA), have been applied to extract plants core genes. Supervised algorithms, especially the support vector machine-recursive feature elimination (SVM-RFE) method, always have good performance in gene selection. In this paper, we draw into class information via the total scatter matrix and put forward a class-information-based penalized matrix decomposition (CIPMD) method to improve the gene identification performance of PMD-based method. Firstly, the total scatter matrix is obtained based on different samples of the gene expression data. Secondly, a new data matrix is constructed by decomposing the total scatter matrix. Thirdly, the new data matrix is decomposed by PMD to obtain the sparse eigensamples. Finally, the core genes are identified according to the nonzero entries in eigensamples. The results on simulation data show that CIPMD method can reach higher identification accuracies than the conventional gene identification methods. Moreover, the results on real gene expression data demonstrate that CIPMD method can identify more core genes closely related to the abiotic stresses than the other methods. PMID:25180509

  4. A 14-MeV Intense Neutron Source Based on Muon-Catalyzed Fusion - I: An Advanced Design

    SciTech Connect

    Anisimov, Viatcheslav V.; Arkhangel'sky, Vladimir A.; Ganchuk, Nikolay S.; Yukhimchuk, Arkady A.; Cavalleri, Emanuela; Karmanov, Fedor I.; Konobeyev, Alexander Yu.; Slobodtchouk, Victor I.; Latysheva, Lioudmila N.; Pshenichnov, Igor A.; Ponomarev, Leonid I.; Vecchi, Marcello

    2001-03-15

    The results of the design study of an advanced scheme for the 14-MeV intense neutron source based on muon-catalyzed fusion ({mu}CF) are presented. A pion production target (liquid lithium) and a synthesizer [liquid deuterium-tritium (D-T) mixture] are considered. Negative pions are produced inside a 17/7 T magnetic field by an intense (2-GeV,12-mA) deuteron beam interacting with the 150-cm-long, 0.75-cm-radius lithium target. Muons from the pion decay are collected in the backward direction and stopped in the D-T mixture of the synthesizer. The synthesizer has the shape of a 10-cm-radius sphere surrounded by two 0.03-cm-thick titanium shells. At 100 {mu}CF events/muon, it can produce up to 10{sup 17}n/s of 14-MeV neutrons. A quasi-isotropic neutron flux up to 10{sup 14} n/cm{sup 2}.s{sup -1} can be achieved in the test volume of {approx}2.5 l with an irradiated surface of {approx}350 cm{sup 2}. The thermophysical and thermomechanical analyses show that the technological limits are not exceeded.

  5. Base-free non-noble-metal-catalyzed hydrogen generation from formic acid: scope and mechanistic insights.

    PubMed

    Mellmann, Dörthe; Barsch, Enrico; Bauer, Matthias; Grabow, Kathleen; Boddien, Albert; Kammer, Anja; Sponholz, Peter; Bentrup, Ursula; Jackstell, Ralf; Junge, Henrik; Laurenczy, Gábor; Ludwig, Ralf; Beller, Matthias

    2014-10-13

    The iron-catalyzed dehydrogenation of formic acid has been studied both experimentally and mechanistically. The most active catalysts were generated in situ from cationic Fe(II) /Fe(III) precursors and tris[2-(diphenylphosphino)ethyl]phosphine (1, PP3 ). In contrast to most known noble-metal catalysts used for this transformation, no additional base was necessary. The activity of the iron catalyst depended highly on the solvent used, the presence of halide ions, the water content, and the ligand-to-metal ratio. The optimal catalytic performance was achieved by using [FeH(PP3 )]BF4 /PP3 in propylene carbonate in the presence of traces of water. With the exception of fluoride, the presence of halide ions in solution inhibited the catalytic activity. IR, Raman, UV/Vis, and EXAFS/XANES analyses gave detailed insights into the mechanism of hydrogen generation from formic acid at low temperature, supported by DFT calculations. In situ transmission FTIR measurements revealed the formation of an active iron formate species by the band observed at 1543 cm(-1) , which could be correlated with the evolution of gas. This active species was deactivated in the presence of chloride ions due to the formation of a chloro species (UV/Vis, Raman, IR, and XAS). In addition, XAS measurements demonstrated the importance of the solvent for the coordination of the PP3 ligand. PMID:25196789

  6. Efficient copper-catalyzed direct intramolecular aminotrifluoromethylation of unactivated alkenes with diverse nitrogen-based nucleophiles.

    PubMed

    Lin, Jin-Shun; Xiong, Ya-Ping; Ma, Can-Liang; Zhao, Li-Jiao; Tan, Bin; Liu, Xin-Yuan

    2014-01-27

    A mild, convenient, and step-economical intramolecular aminotrifluoromethylation of unactivated alkenes with a variety of electronically distinct, nitrogen-based nucleophiles in the presence of a simple copper salt catalyst, in the absence of extra ligands, is described. Many different nitrogen-based nucleophiles (e.g., basic primary aliphatic and aromatic amines, sulfonamides, carbamates, and ureas) can be employed in this new aminotrifluoromethylation reaction. The aminotrifluoromethylation process allows straightforward access to diversely substituted CF3-containing pyrrolidines or indolines, in good to excellent yields, through a direct difunctionalization strategy from the respective acyclic starting materials. Mechanistic studies were conducted and a plausible mechanism was proposed. PMID:24458913

  7. Sequential Processes in Palladium-Catalyzed Silicon-Based Cross-Coupling

    PubMed Central

    Denmark, Scott E.; Liu, Jack H.-C.

    2012-01-01

    Although developed somewhat later, silicon-based cross-coupling has become a viable alternative to the more conventional Suzuki-Miyaura, Stille-Kosugi-Migita, and Negishi cross-coupling reactions because of its broad substrate scope, high stability of silicon-containing reagents, and low toxicity of waste streams. An empowering and yet underappreciated feature unique to silicon-based cross-coupling is the wide range of sequential processes available. In these processes, simple precursors are first converted to complex silicon-containing cross-coupling substrates, and the subsequent silicon-based cross-coupling reaction affords an even more highly functionalized product in a stereoselective fashion. In so doing, structurally simple and inexpensive starting materials are quickly transformed into value-added and densely substituted products. Therefore, sequential processes are often useful in constructing the carbon backbones of natural products. In this review, studies of sequential processes involving silicon-based cross-coupling are discussed. Additionally, the total syntheses that utilize these sequential processes are also presented. PMID:23293392

  8. 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. PMID:24209363

  9. Ligand-Based Steric Effects in Ni-Catalyzed Chain-Growth Polymerizations Using Bis(dialkylphosphino)ethanes

    SciTech Connect

    Lanni, Erica L.; Locke, Jonas R.; Gleave, Christine M.; McNeil, Anne J.

    2011-07-12

    The role of ligand-based steric effects was investigated in the polymerization of 4-bromo-2,5-bis(hexyloxy)phenylmagnesium chloride. Three different Ni(L-L)Cl₂ catalysts were synthesized using commercially available bis(dialkylphosphino)ethane ligands with varying steric properties. One of these catalysts (Ni(depe)Cl₂) outperformed the others for this polymerization. The polymer characterization data were consistent with a chain-growth mechanism. Rate and spectroscopic studies revealed a rate-limiting reductive elimination for both initiation and propagation with Ni(depe)Cl₂. In contrast, less hindered Ni(dmpe)Cl₂ and more hindered Ni(dcpe)Cl₂ were ineffective polymerization catalysts; NMR spectroscopic studies indicated that competing decomposition and uncontrolled pathways intervene. For other monomers, Ni(depe)Cl₂ performed similar to the conventional catalysts. Copolymerization studies revealed that block copolymers could be effectively prepared. Overall, these studies indicate that altering the ligand-based steric properties can have a significant impact on the chain-growth polymerization.

  10. Photoswitchable ring-opening polymerization of lactide catalyzed by azobenzene-based thiourea.

    PubMed

    Dai, Zhongran; Cui, Yaqin; Chen, Changjuan; Wu, Jincai

    2016-07-01

    The reactivity of a catalytic polymerization system using photoresponsive azobenzene-based thiourea/PMDETA as a catalyst could be switched between slow and fast states by alternating exposure to UV and ambient light, because the active site of azobenzene thiourea is blocked via intramolecular hydrogen bonding when the azobenzene thiourea transfers from the E isomer to the Z isomer under UV irradiation. PMID:27345287

  11. Oxidation of benzoin catalyzed by oxovanadium(IV) schiff base complexes

    PubMed Central

    2013-01-01

    Background The oxidative transformation of benzoin to benzil has been accomplished by the use of a wide variety of reagents or catalysts and different reaction procedures. The conventional oxidizing agents yielded mainly benzaldehyde or/and benzoic acid and only a trace amount of benzil. The limits of practical utilization of these reagents involves the use of stoichiometric amounts of corrosive acids or toxic metallic reagents, which in turn produce undesirable waste materials and required high reaction temperatures. In recent years, vanadium complexes have attracted much attention for their potential utility as catalysts for various types of reactions. Results Active and selective catalytic systems of new unsymmetrical oxovanadium(IV) Schiff base complexes for the oxidation of benzoin is reported. The Schiff base ligands are derived between 2-aminoethanol and 2-hydroxy-1-naphthaldehyde (H2L1) or 3-ethoxy salicylaldehyde (H2L3); and 2-aminophenol and 3-ethoxysalicylaldehyde (H2L2) or 2-hydroxy-1-naphthaldehyde (H2L4). The unsymmetrical Schiff bases behave as tridentate dibasic ONO donor ligands. Reaction of these Schiff base ligands with oxovanadyl sulphate afforded the mononuclear oxovanadium(IV) complexes (VIVOLx.H2O), which are characterized by various physico-chemical techniques. The catalytic oxidation activities of these complexes for benzoin were evaluated using H2O2 as an oxidant. The best reaction conditions are obtained by considering the effect of solvent, reaction time and temperature. Under the optimized reaction conditions, VOL4 catalyst showed high conversion (>99%) with excellent selectivity to benzil (~100%) in a shorter reaction time compared to the other catalysts considered. Conclusion Four tridentate ONO type Schiff base ligands were synthesized. Complexation of these ligands with vanadyl(IV) sulphate leads to the formation of new oxovanadium(IV) complexes of type VIVOL.H2O. Elemental analyses and spectral data of the free ligands and their

  12. Woodland Decomposition.

    ERIC Educational Resources Information Center

    Napier, J.

    1988-01-01

    Outlines the role of the main organisms involved in woodland decomposition and discusses some of the variables affecting the rate of nutrient cycling. Suggests practical work that may be of value to high school students either as standard practice or long-term projects. (CW)

  13. Thermal decomposition of magnesium and calcium sulfates

    SciTech Connect

    Roche, S L

    1982-04-01

    The effect of catalyst on the thermal decomposition of MgSO/sub 4/ and CaSO/sub 4/ in vacuum was studied as a function of time in Knudsen cells and for MgSO/sub 4/, in open crucibles in vacuum in a Thermal Gravimetric Apparatus. Platinum and Fe/sub 2/O/sub 3/ were used as catalysts. The CaSO/sub 4/ decomposition rate was approximately doubled when Fe/sub 2/O/sub 3/ was present in a Knudsen cell. Platinum did not catalyze the CaSO/sub 4/ decomposition reaction. The initial decomposition rate for MgSO/sub 4/ was approximately 5 times greater than when additives were present in Knudsen cells but only about 1.5 times greater when decomposition was done in an open crucible.

  14. A Compound fault diagnosis for rolling bearings method based on blind source separation and ensemble empirical mode decomposition.

    PubMed

    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

  15. A new method of chlorophenols decomposition based on UV-irradiation by XeBr-excilamp and their subsequent biodegradation

    NASA Astrophysics Data System (ADS)

    Sosnin, E. A.; Matafonova, G. G.; Batoev, V. B.; Christofi, N.

    2008-01-01

    The combined decomposition method of chlorophenols (CP) is offered. The method is based on photolysis of CP through XeBr-excilamp UV irradiation at 283 nm in a flow photoreactor with subsequent treatment of photolysis products by microorganism-destructor B. cereus isolated from an aeration pond of Baikal pulp-and-paper mill. At initial concentration of CP of 20 mg/l the polluted solutions can be utilized directly by means of biological treatment using B. cereus under aerobic conditions. However, if the initial CP concentration is higher than 20 mg/l, the polluted solutions are low biodegradable. It is shown, that the combined treatment is most effective method in this case. At initial CP concentration of 50 mg/l and higher it is suggested to use the deep preliminary UV-treatment with the purpose of removal 80-90 % of initial CP. It is revealed, that 4-CP is relatively persistent compound for B. cereus, easily decomposed by UV-radiation of XeBr-excilamp. As a result of subsequent biological treatment during 10 days the utilization of basic CP photoproducts is obtained. Experimentally, the preliminary UV-processing time was essentially less than that found earlier by E. Tamer, Z. Hamid, Aly A. (Chemosphere, 2006), where the half-life periods of initial CP were from 2.2 to 54 hours at the same value of initial concentration of CP. Correspondingly, the total CP decomposition process was accompanied by high power inputs. It is suggested to use mentioned above method for effective CP decomposition at high concentration values.

  16. Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.

    PubMed

    Piotrowski, David W; Kamlet, Adam S; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A; Xiao, Jun; Wei, Liuqing; Barrila, Mark T

    2016-04-13

    We report a modular three-component dynamic kinetic resolution (DKR) that affords enantiomerically enriched hemiaminal esters derived from azoles and aldehydes. The novel and scalable reaction can be used to synthesize valuable substituted azoles in a regioselective manner by capping (e.g., acylation) of the equilibrating azole-aldehyde adduct. With the use of a prolinol-derived DMAP catalyst as the chiral Lewis base, the products can be obtained in high chemical yield and with high enantiomeric excess. The DKR was performed on a multikilogram scale to produce a tetrazole prodrug fragment for a leading clinical candidate that posed formidable synthesis challenges. PMID:27003237

  17. Base metal-catalyzed benzylic oxidation of (aryl)(heteroaryl)methanes with molecular oxygen

    PubMed Central

    Sterckx, Hans; De Houwer, Johan; Mensch, Carl; Herrebout, Wouter; Tehrani, Kourosch Abbaspour

    2016-01-01

    Summary The methylene group of various substituted 2- and 4-benzylpyridines, benzyldiazines and benzyl(iso)quinolines was successfully oxidized to the corresponding benzylic ketones using a copper or iron catalyst and molecular oxygen as the stoichiometric oxidant. Application of the protocol in API synthesis is exemplified by the alternative synthesis of a precursor to the antimalarial drug Mefloquine. The oxidation method can also be used to prepare metabolites of APIs which is illustrated for the natural product papaverine. ICP–MS analysis of the purified reaction products revealed that the base metal impurity was well below the regulatory limit. PMID:26877817

  18. Hydrolysis of Letrozole catalyzed by macrocyclic Rhodium (I) Schiff-base complexes

    NASA Astrophysics Data System (ADS)

    Reddy, P. Muralidhar; Shanker, K.; Srinivas, V.; Krishna, E. Ravi; Rohini, R.; Srikanth, G.; Hu, Anren; Ravinder, V.

    2015-03-01

    Ten mononuclear Rhodium (I) complexes were synthesized by macrocyclic ligands having N4 and N2O2 donor sites. Square planar geometry is assigned based on the analytical and spectral properties for all complexes. Rh(I) complexes were investigated as catalysts in hydrolysis of Nitrile group containing pharmaceutical drug Letrozole. A comparative study showed that all the complexes are efficient in the catalysis. The percent yields of all the catalytic reaction products viz. drug impurities were determined by spectrophotometric procedures and characterized by spectral studies.

  19. Conjugation of Microcystins with Thiols Is Reversible: Base-Catalyzed Deconjugation for Chemical Analysis.

    PubMed

    Miles, Christopher O; Sandvik, Morten; Nonga, Hezron E; Ballot, Andreas; Wilkins, Alistair L; Rise, Frode; Jaabaek, J Atle H; Loader, Jared I

    2016-05-16

    Microcystins are potent cyclic heptapeptide toxins found in many freshwater cyanobacteria. Most microcystins contain an α,β-unsaturated amide that can react with thiol-containing amino acids, peptides, and proteins in vivo and in vitro. While soluble conjugates formed from small peptides can be extracted and analyzed directly by LC-MS, microcystins conjugated to proteins are analyzed after oxidative cleavage of their Adda side chains, but information on which microcystin analogues were present is lost. Observations during the development of thiol-derivatization-based LC-MS methods for microcystin analysis indicated that the reaction of thiols with microcystins was reversible. The kinetics of deconjugation was investigated with mercaptoethanol as a model thiol to identify suitable reaction conditions. A range of microcystins conjugated to mercaptoethanol, methanethiol, cysteine, and glutathione were then successfully deconjugated, demonstrating the feasibility of releasing conjugated forms of microcystins for chemical analysis. Reagents for removing the released thiols or for trapping the released microcystins increased the reaction rate. Optimization of methodologies based on this reaction should increase the method's utility for measuring free and conjugated microcystins. The results also indicate that thiol-conjugated microcystins slowly release free microcystins, even at neutral pH, with consequences for assessment of toxin exposure, metabolism, and trophic transfer. A range of other common natural and environmental toxins, such as deoxynivalenol and acrylamide, also contain α,β-unsaturated carbonyl groups and can be expected to behave in a similar manner. PMID:26999366

  20. Conserved arginines on the rim of Hfq catalyze base pair formation and exchange

    PubMed Central

    Panja, Subrata; Schu, Daniel J.; Woodson, Sarah A.

    2013-01-01

    The Sm-like protein Hfq is required for gene regulation by small RNAs (sRNAs) in bacteria and facilitates base pairing between sRNAs and their mRNA targets. The proximal and distal faces of the Hfq hexamer specifically bind sRNA and mRNA targets, but they do not explain how Hfq accelerates the formation and exchange of RNA base pairs. Here, we show that conserved arginines on the outer rim of the hexamer that are known to interact with sRNA bodies are required for Hfq’s chaperone activity. Mutations in the arginine patch lower the ability of Hfq to act in sRNA regulation of rpoS translation and eliminate annealing of natural sRNAs or unstructured oligonucleotides, without preventing binding to either the proximal or distal face. Stopped-flow FRET and fluorescence anisotropy show that complementary RNAs transiently form a ternary complex with Hfq, but the RNAs are not released as a double helix in the absence of rim arginines. RNAs bound to either face of Hfq quench the fluorescence of a tryptophan adjacent to the arginine patch, demonstrating that the rim can simultaneously engage two RNA strands. We propose that the arginine patch overcomes entropic and electrostatic barriers to helix nucleation and constitutes the active site for Hfq’s chaperone function. PMID:23771143

  1. Fault diagnosis of spur gearbox based on random forest and wavelet packet decomposition

    NASA Astrophysics Data System (ADS)

    Cabrera, Diego; Sancho, Fernando; Sánchez, René-Vinicio; Zurita, Grover; Cerrada, Mariela; Li, Chuan; Vásquez, Rafael E.

    2015-09-01

    This paper addresses the development of a random forest classifier for the multi-class fault diagnosis in spur gearboxes. The vibration signal's condition parameters are first extracted by applying the wavelet packet decomposition with multiple mother wavelets, and the coefficients' energy content for terminal nodes is used as the input feature for the classification problem. Then, a study through the parameters' space to find the best values for the number of trees and the number of random features is performed. In this way, the best set of mother wavelets for the application is identified and the best features are selected through the internal ranking of the random forest classifier. The results show that the proposed method reached 98.68% in classification accuracy, and high efficiency and robustness in the models.

  2. Parallel two-level domain decomposition based Jacobi-Davidson algorithms for pyramidal quantum dot simulation

    NASA Astrophysics Data System (ADS)

    Zhao, Tao; Hwang, Feng-Nan; Cai, Xiao-Chuan

    2016-07-01

    We consider a quintic polynomial eigenvalue problem arising from the finite volume discretization of a quantum dot simulation problem. The problem is solved by the Jacobi-Davidson (JD) algorithm. Our focus is on how to achieve the quadratic convergence of JD in a way that is not only efficient but also scalable when the number of processor cores is large. For this purpose, we develop a projected two-level Schwarz preconditioned JD algorithm that exploits multilevel domain decomposition techniques. The pyramidal quantum dot calculation is carefully studied to illustrate the efficiency of the proposed method. Numerical experiments confirm that the proposed method has a good scalability for problems with hundreds of millions of unknowns on a parallel computer with more than 10,000 processor cores.

  3. Inversion of photon correlation spectroscopy based on truncated singular value decomposition and cascadic multigrid technology.

    PubMed

    Wang, Yajing; Shen, Jin; Wei, Liu; Dou, Zhenhai; Gao, Shanshan

    2013-04-20

    For the low accuracy of single-scale inversion method in photon correlation spectroscopy technology, a cascadic multigrid (CMG)-truncated singular value decomposition (TSVD) inversion method that combines the TSVD regularization with CMG technology is proposed. This method decomposes the original problem into several subproblems in different scale grid space. According to the particle sizes inverted from the coarsest scale to the finest scale, the solution of an original inversion problem can be obtained. For the inversion of each subproblem, TSVD method is used. The simulation and experimental data were respectively inverted by TSVD and CMG-TSVD methods. The inversion results demonstrate that the CMG-TSVD method has higher accuracy, more strong noise immunity and better smoothness than the TSVD method. PMID:23669690

  4. Empirical mode decomposition-based facial pose estimation inside video sequences

    NASA Astrophysics Data System (ADS)

    Qing, Chunmei; Jiang, Jianmin; Yang, Zhijing

    2010-03-01

    We describe a new pose-estimation algorithm via integration of the strength in both empirical mode decomposition (EMD) and mutual information. While mutual information is exploited to measure the similarity between facial images to estimate poses, EMD is exploited to decompose input facial images into a number of intrinsic mode function (IMF) components, which redistribute the effect of noise, expression changes, and illumination variations as such that, when the input facial image is described by the selected IMF components, all the negative effects can be minimized. Extensive experiments were carried out in comparisons to existing representative techniques, and the results show that the proposed algorithm achieves better pose-estimation performances with robustness to noise corruption, illumination variation, and facial expressions.

  5. Multiresolution motion planning for autonomous agents via wavelet-based cell decompositions.

    PubMed

    Cowlagi, Raghvendra V; Tsiotras, Panagiotis

    2012-10-01

    We present a path- and motion-planning scheme that is "multiresolution" both in the sense of representing the environment with high accuracy only locally and in the sense of addressing the vehicle kinematic and dynamic constraints only locally. The proposed scheme uses rectangular multiresolution cell decompositions, efficiently generated using the wavelet transform. The wavelet transform is widely used in signal and image processing, with emerging applications in autonomous sensing and perception systems. The proposed motion planner enables the simultaneous use of the wavelet transform in both the perception and in the motion-planning layers of vehicle autonomy, thus potentially reducing online computations. We rigorously prove the completeness of the proposed path-planning scheme, and we provide numerical simulation results to illustrate its efficacy. PMID:22581136

  6. Ensemble Empirical Mode Decomposition based methodology for ultrasonic testing of coarse grain austenitic stainless steels.

    PubMed

    Sharma, Govind K; Kumar, Anish; Jayakumar, T; Purnachandra Rao, B; Mariyappa, N

    2015-03-01

    A signal processing methodology is proposed in this paper for effective reconstruction of ultrasonic signals in coarse grained high scattering austenitic stainless steel. The proposed methodology is comprised of the Ensemble Empirical Mode Decomposition (EEMD) processing of ultrasonic signals and application of signal minimisation algorithm on selected Intrinsic Mode Functions (IMFs) obtained by EEMD. The methodology is applied to ultrasonic signals obtained from austenitic stainless steel specimens of different grain size, with and without defects. The influence of probe frequency and data length of a signal on EEMD decomposition is also investigated. For a particular sampling rate and probe frequency, the same range of IMFs can be used to reconstruct the ultrasonic signal, irrespective of the grain size in the range of 30-210 μm investigated in this study. This methodology is successfully employed for detection of defects in a 50mm thick coarse grain austenitic stainless steel specimens. Signal to noise ratio improvement of better than 15 dB is observed for the ultrasonic signal obtained from a 25 mm deep flat bottom hole in 200 μm grain size specimen. For ultrasonic signals obtained from defects at different depths, a minimum of 7 dB extra enhancement in SNR is achieved as compared to the sum of selected IMF approach. The application of minimisation algorithm with EEMD processed signal in the proposed methodology proves to be effective for adaptive signal reconstruction with improved signal to noise ratio. This methodology was further employed for successful imaging of defects in a B-scan. PMID:25488024

  7. Surface EMG Decomposition Based on K-means Clustering and Convolution Kernel Compensation

    PubMed Central

    Ning, Yong; Zhu, Xiangjun; Zhu, Shanan; Zhang, Yingchun

    2015-01-01

    A new approach has been developed by combining the K-mean clustering (KMC) method and a modified convolution kernel compensation (CKC) method for multi-channel surface electromyogram (EMG) decomposition. The KMC method was first utilized to cluster vectors of observations at different time instants and then estimate the initial innervation pulse train (IPT). The CKC method, modified with a novel multi-step iterative process, was conducted to update the estimated IPT. The performance of the proposed K-means clustering - Modified CKC (KmCKC) approach was evaluated by reconstructing IPTs from both simulated and experimental surface EMG signals. The KmCKC approach successfully reconstructed all 10 IPTs from the simulated surface EMG signals with true positive rates (TPR) of over 90% with a low signal-to-noise ratio (SNR) of −10dB. Over 10 motor units were also successfully extracted from the 64-channel experimental surface EMG signals of the first dorsal interosseous (FDI) muscles when a contraction force was held at 8 N by using the KmCKC approach. A ‘two-source’ test was further conducted with 64-channel surface EMG signals. The high percentage of common MUs and common pulses (over 92% at all force levels) between the IPTs reconstructed from the two independent groups of surface EMG signals demonstrates the reliability and capability of the proposed KmCKC approach in multi-channel surface EMG decomposition. Results from both simulated and experimental data are consistent and confirm that the proposed KmCKC approach can successfully reconstruct IPTs with high accuracy at different levels of contraction. PMID:25486655

  8. Gold price analysis based on ensemble empirical model decomposition and independent component analysis

    NASA Astrophysics Data System (ADS)

    Xian, Lu; He, Kaijian; Lai, Kin Keung

    2016-07-01

    In recent years, the increasing level of volatility of the gold price has received the increasing level of attention from the academia and industry alike. Due to the complexity and significant fluctuations observed in the gold market, however, most of current approaches have failed to produce robust and consistent modeling and forecasting results. Ensemble Empirical Model Decomposition (EEMD) and Independent Component Analysis (ICA) are novel data analysis methods that can deal with nonlinear and non-stationary time series. This study introduces a new methodology which combines the two methods and applies it to gold price analysis. This includes three steps: firstly, the original gold price series is decomposed into several Intrinsic Mode Functions (IMFs) by EEMD. Secondly, IMFs are further processed with unimportant ones re-grouped. Then a new set of data called Virtual Intrinsic Mode Functions (VIMFs) is reconstructed. Finally, ICA is used to decompose VIMFs into statistically Independent Components (ICs). The decomposition results reveal that the gold price series can be represented by the linear combination of ICs. Furthermore, the economic meanings of ICs are analyzed and discussed in detail, according to the change trend and ICs' transformation coefficients. The analyses not only explain the inner driving factors and their impacts but also conduct in-depth analysis on how these factors affect gold price. At the same time, regression analysis has been conducted to verify our analysis. Results from the empirical studies in the gold markets show that the EEMD-ICA serve as an effective technique for gold price analysis from a new perspective.

  9. Acid-Catalyzed Algal Biomass Pretreatment for Integrated Lipid and Carbohydrate-Based Biofuels Production

    SciTech Connect

    Laurens, L. M. L.; Nagle, N.; Davis, R.; Sweeney, N.; Van Wychen, S.; Lowell, A.; Pienkos, P. T.

    2014-11-12

    One of the major challenges associated with algal biofuels production in a biorefinery-type setting is improving biomass utilization in its entirety, increasing the process energetic yields and providing economically viable and scalable co-product concepts. We demonstrate the effectiveness of a novel, integrated technology based on moderate temperatures and low pH to convert the carbohydrates in wet algal biomass to soluble sugars for fermentation, while making lipids more accessible for downstream extraction and leaving a protein-enriched fraction behind. We studied the effect of harvest timing on the conversion yields, using two algal strains; Chlorella and Scenedesmus, generating biomass with distinctive compositional ratios of protein, carbohydrate, and lipids. We found that the late harvest Scenedesmus biomass had the maximum theoretical biofuel potential at 143 gasoline gallon equivalent (GGE) combined fuel yield per dry ton biomass, followed by late harvest Chlorella at 128 GGE per ton. Our experimental data show a clear difference between the two strains, as Scenedesmus was more successfully converted in this process with a demonstrated 97 GGE per ton. Our measurements indicated a release of >90% of the available glucose in the hydrolysate liquors and an extraction and recovery of up to 97% of the fatty acids from wet biomass. Techno-economic analysis for the combined product yields indicates that this process exhibits the potential to improve per-gallon fuel costs by up to 33% compared to a lipids-only process for one strain, Scenedesmus, grown to the mid-point harvest condition.

  10. Electroreductive dehalogenation of chlorinated aromatic ethers. Unexpected electrogenerated base catalyzed reactions

    SciTech Connect

    Kimura, Makoto; Miyahara, Hiroyoshi; Moritani, Noriyuki; Sawaki, Yasuhiko )

    1990-06-08

    The electroreductive dehalogenation of several mono- and polychlorinated aromatic ethers that serve as models of dioxins has been studied. The dechlorination was achieved by a simple constant-current electrolysis using a lead cathode in dimethylformamide. It was shown that 2,4,6-trichloroanisole undergoes successive dechlorination and the chlorine in the 2-position is selectively eliminated. Competitive reactions and cyclic voltammetric measurements suggested the increasing reactivity order of mono- < di- < trichloride for the reductive dechlorination. Use of allyl 2-chlorophenyl ether as a probe for radical cyclization indicated that free radical intermediates are of little importance. Thus, incipient radicals are immediately reduced to anionic intermediates. The electrolyses in the presence of deuterium oxide revealed proton sources for the present dechlorination. In these attempts, novel phenomena due to electrogenerated base (EGB) were found: di- and trichlorides underwent an unexpected overincorporation of deuterium in their dechlorinated products; a selective formation of Z-enol ethers from the allylic ethers was encountered. The mechanistic features of the present electroreductive dechlorination are discussed.

  11. Fe-catalyzed carbon nanotubes for high-energy density carbon-based supercapacitors

    NASA Astrophysics Data System (ADS)

    Emmett, Robert; Karakaya, Mehmet; Roberts, Mark; Arcilla-Velez, Margarita; Podila, Ramakrishna; Rao, Apparao

    2014-03-01

    Carbon nanotubes (CNTs) are one of the most suitable supercapacitor electrode materials due to their high mechanical strength, electrical conductivity, and surface area. Albeit these unique properties of CNTs, energy density of carbon-based double layer capacitors is limited by the inability of CNTs to actively participate in redox processes. Here, we show that electrochemical characteristics of CNTs can be improved by activating the residual Fe catalyst to participate in Faradaic charge storage via Fe2+ ->Fe3+ redox process. By using traditional liquid injection chemical vapor deposited CNTs which contains 5.7 wt.% residual Fe catalyst (R. Andrews et al.,, Chem. Phys. Letters, 303, 467-474 (1999)), the capacitance of CNT electrodes can be increased from 20 F/g to 150 F/g, in the range of -0.2 to 1.2 V. The use of Fe containing CNTs to manufacture supercapacitor electrodes with increased energy density and charge capacity of with high charge/discharge rates with extremely long-term cycle stability will be discussed. Research supported by US NSF CMMI Grant1246800.

  12. A full-spectral Bayesian reconstruction approach based on the material decomposition model applied in dual-energy computed tomography

    SciTech Connect

    Cai, C.; Rodet, T.; Mohammad-Djafari, A.; Legoupil, S.

    2013-11-15

    Purpose: 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.Methods: 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.Results: 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

  13. Base-controlled selectivity in the synthesis of linear and angular fused quinazolinones by a palladium-catalyzed carbonylation/nucleophilic aromatic substitution sequence.

    PubMed

    Chen, Jianbin; Natte, Kishore; Spannenberg, Anke; Neumann, Helfried; Langer, Peter; Beller, Matthias; Wu, Xiao-Feng

    2014-07-14

    A new approach for the facile synthesis of fused quinazolinone scaffolds through a palladium-catalyzed carbonylative coupling followed by an intramolecular nucleophilic aromatic substitution is described. The base serves as the key modulator: Whereas DBU gives rise to the linear isomers, Et3N promotes the preferential formation of angular products. Interestingly, a light-induced 4+4 reaction of the product was also observed. PMID:24891190

  14. Acid-Catalyzed Algal Biomass Pretreatment for Integrated Lipid and Carbohydrate-Based Biofuels Production

    DOE PAGESBeta

    Laurens, L. M. L.; Nagle, N.; Davis, R.; Sweeney, N.; Van Wychen, S.; Lowell, A.; Pienkos, P. T.

    2014-11-12

    One of the major challenges associated with algal biofuels production in a biorefinery-type setting is improving biomass utilization in its entirety, increasing the process energetic yields and providing economically viable and scalable co-product concepts. We demonstrate the effectiveness of a novel, integrated technology based on moderate temperatures and low pH to convert the carbohydrates in wet algal biomass to soluble sugars for fermentation, while making lipids more accessible for downstream extraction and leaving a protein-enriched fraction behind. We studied the effect of harvest timing on the conversion yields, using two algal strains; Chlorella and Scenedesmus, generating biomass with distinctive compositionalmore » ratios of protein, carbohydrate, and lipids. We found that the late harvest Scenedesmus biomass had the maximum theoretical biofuel potential at 143 gasoline gallon equivalent (GGE) combined fuel yield per dry ton biomass, followed by late harvest Chlorella at 128 GGE per ton. Our experimental data show a clear difference between the two strains, as Scenedesmus was more successfully converted in this process with a demonstrated 97 GGE per ton. Our measurements indicated a release of >90% of the available glucose in the hydrolysate liquors and an extraction and recovery of up to 97% of the fatty acids from wet biomass. Techno-economic analysis for the combined product yields indicates that this process exhibits the potential to improve per-gallon fuel costs by up to 33% compared to a lipids-only process for one strain, Scenedesmus, grown to the mid-point harvest condition.« less

  15. Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical study.

    PubMed

    Šakić, Davor; Zipse, Hendrik; Vrček, Valerije

    2011-06-01

    Electronic structure methods have been applied to calculate the gas and aqueous phase reaction energies for base-induced rearrangements of N-chloropiperidine, N-chloro-3-(hydroxymethyl)piperidine, and N-chloro-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine. These derivatives have been selected as representative models for studying the chemical fate of environmentally relevant chloramines. The performance of different computational methods (MP2, MP4, QCISD, B3LYP and B2PLYP) for calculating the thermochemistry of rearrangement reactions was assessed. The latter method produces energies similar to those obtained at G3B3(+) level, which themselves have been tested against experimental results. Experimental energy barriers and enthalpies for ring inversion, nitrogen inversion and dehydrochlorination reactions in N-chloropiperidine have been accurately reproduced when solvent effects have been included. It was also found that the combined use of continuum solvation models (e.g. CPCM) and explicit consideration of a single water molecule is sufficient to properly describe the water-assisted rearrangement of N-chlorinated compounds in basic media. In the case of N-chloro-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine, which represents the chlorinated metabolite of the antidepressant paroxetine, several different reactions (intramolecular addition, substitution, and elimination reactions) have been investigated. Transition state structures for these processes have been located together with minimum energy structures of conceivable products. Imine 4A is predicted to be the most stable reaction product, closely followed by imine 4B and oxazinane 8, while formation of isoxazolidine 7 is much less favourable. Calculated reaction barriers in aqueous solution are quite similar for all four processes, the lowest barrier being predicted for the formation of imine 4A. PMID:21503305

  16. Gold nanoparticles doped conducting polymer nanorod electrodes: ferrocene catalyzed aptamer-based thrombin immunosensor.

    PubMed

    Rahman, Md Aminur; Son, Jung Ik; Won, Mi-Sook; Shim, Yoon-Bo

    2009-08-15

    Au nanoparticles-doped conducting polymer nanorods electrodes (AuNPs/CPNEs) were prepared by coating Au nanorods (AuNRs) with a conducting polymer layer. The AuNRs were prepared through an electroless deposition method using the polycarbonate membrane (pore diameter, 50 nm, pore density, 6 x 10(8) pores/cm(2)) as a template. The AuNPs/CPNEs combining catalytic activity of ferrocene to ascorbic acid were used for the fabrication of an ultrasensitive aptamer sensor for thrombin detection. The AuNPs/3D-CPNEs were characterized employing cyclic voltammetry (CV), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and atomic force microscopy (AFM). Sandwiched immunoassay for alpha-human thrombin with NH(2)-functionalized-thrombin binding aptamer (Apt) immobilized on AuNPs/3D-CPNEs was studied through the electrocatalytic oxidation of ascorbic acid by the ferrocene moiety that was bound with an antithrombin antibody and attached with the Apt/3D-CPNEs probe through target binding. Various experimental parameters affecting thrombin detection were optimized, and the performance of the thrombin aptamer sensor was examined. The Apt/AuNPs/3D-CPNEs based thrombin sensor exhibited a wide dynamic range of 5-2000 ng L(-1) and a low detection limit of 5 ng L(-1) (0.14 pM). The selectivity and the stability of the proposed thrombin aptamer sensor were excellent, and it was tested in a real human serum sample for the detection of spiked concentrations of thrombin. PMID:20337374

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

    SciTech Connect

    Kako, Tetsuya; Meng, Xianguang; Ye, Jinhua

    2015-10-01

    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} than individual WO{sub 3} or NaBiO{sub 3} because of charge separation promotion and the base effect of NaBiO{sub 3}.

  18. PrinCCes: Continuity-based geometric decomposition and systematic visualization of the void repertoire of proteins.

    PubMed

    Czirják, Gábor

    2015-11-01

    Grooves and pockets on the surface, channels through the protein, the chambers or cavities, and the tunnels connecting the internal points to each other or to the external fluid environment are fundamental determinants of a wide range of biological functions. PrinCCes (Protein internal Channel & Cavity estimation) is a computer program supporting the visualization of voids. It includes a novel algorithm for the decomposition of the entire void volume of the protein or protein complex to individual entities. The decomposition is based on continuity. An individual void is defined by uninterrupted extension in space: a spherical probe can freely move between any two internal locations of a continuous void. Continuous voids are detected irrespective of their topological complexity, they may contain any number of holes and bifurcations. The voids of a protein can be visualized one by one or in combinations as triangulated surfaces. The output is automatically exported to free VMD (Visual Molecular Dynamics) or Chimera software, allowing the 3D rotation of the surfaces and the production of publication quality images. PrinCCes with graphic user interface and command line versions are available for MS Windows and Linux. The source code and executable can be downloaded at any of the following links: http://scholar.semmelweis.hu/czirjakgabor/s/princces/#t1 https://github.com/CzirjakGabor/PrinCCes http://1drv.ms/1bP9iJ3. PMID:26409191

  19. Supercritical Fluid Atomic Layer Deposition: Base-Catalyzed Deposition of SiO2.

    PubMed

    Kalan, Roghi E; McCool, Benjamin A; Tripp, Carl P

    2016-07-19

    An in situ FTIR thin film technique was used to study the sequential atomic layer deposition (ALD) reactions of SiCl4, tetraethyl orthosilicate (TEOS) precursors, and water on nonporous silica powder using supercritical CO2 (sc-CO2) as the solvent. The IR work on nonporous powders was used to identify the reaction sequence for using a sc-CO2-based ALD to tune the pore size of a mesoporous silica. The IR studies showed that only trace adsorption of SiCl4 occurred on the silica, and this was due to the desiccating power of sc-CO2 to remove the adsorbed water from the surface. This was overcome by employing a three-step reaction scheme involving a first step of adsorption of triethylamine (TEA), followed by SiCl4 and then H2O. For TEOS, a three-step reaction sequence using TEA, TEOS, and then water offered no advantage, as the TEOS simply displaced the TEA from the silica surface. A two-step reaction involving the addition of TEOS followed by H2O in a second step did lead to silica film growth. However, higher growth rates were obtained when using a mixture of TEOS/TEA in the first step. The hydrolysis of the adsorbed TEOS was also much slower than that of the adsorbed SiCl4, and this was overcome by using a mixture of water/TEA during the second step. While the three-step process with SiCl4 showed a higher linear growth rate than obtained with two-step process using TEOS/TEA, its use was not practical, as the HCl generated led to corrosion of our sc-CO2 delivery system. However, when applying the two-step ALD reaction using TEOS on an MCM-41 powder, a 0.21 nm decrease in pore diameter was obtained after the first ALD cycle whereas further ALD cycles did not lead to further pore size reduction. This was attributed to the difficulty in removal of the H2O in the pores after the first cycle. PMID:27338186

  20. 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.

  1. Drogue detection for vision-based autonomous aerial refueling via low rank and sparse decomposition with multiple features

    NASA Astrophysics Data System (ADS)

    Gao, Shibo; Cheng, Yongmei; Song, Chunhua

    2013-09-01

    The technology of vision-based probe-and-drogue autonomous aerial refueling is an amazing task in modern aviation for both manned and unmanned aircraft. A key issue is to determine the relative orientation and position of the drogue and the probe accurately for relative navigation system during the approach phase, which requires locating the drogue precisely. Drogue detection is a challenging task due to disorderly motion of drogue caused by both the tanker wake vortex and atmospheric turbulence. In this paper, the problem of drogue detection is considered as a problem of moving object detection. A drogue detection algorithm based on low rank and sparse decomposition with local multiple features is proposed. The global and local information of drogue is introduced into the detection model in a unified way. The experimental results on real autonomous aerial refueling videos show that the proposed drogue detection algorithm is effective.

  2. 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.

  3. 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.

  4. Monitoring enzyme-catalyzed reactions in micromachined nanoliter wells using a conventional microscope-based microarray reader

    NASA Astrophysics Data System (ADS)

    van den Doel, L. Richard; Moerman, R.; van Dedem, G. W. K.; Young, Ian T.; van Vliet, Lucas J.

    2002-06-01

    Yeast-Saccharomyces cerevisiae - it widely used as a model system for other higher eukaryotes, including man. One of the basic fermentation processes in yeast is the glycolytic pathway, which is the conversion of glucose to ethanol and carbon dioxide. This pathway consists of 12 enzyme-catalyzed reactions. With the approach of microarray technology we want to explore the metabolic regulation of this pathway in yeast. This paper will focus on the design of a conventional microscope based microarray reader, which is used to monitor these enzymatic reactions in microarrays. These microarrays are fabricated in silicon and have sizes of 300 by 300 micrometers 2. The depth varies from 20 to 50 micrometers . Enzyme activity levels can be derived by monitoring the production or consumption rate of NAD(P)H, which is excited at 360nm and emits around 450nm. This fluorophore is involved in all 12 reactions of the pathway. The microarray reader is equipped with a back-illuminated CCD camera in order to obtain a high quantum efficiency for the lower wavelengths. The dynamic range of our microarray reader varies form 5(mu) Molar to 1mMolar NAD(P)H. With this microarray reader enzyme activity levels down to 0.01 unit per milliliter can be monitored. The acquisition time per well is 0.1s. The total scan cycle time for a 5 X 5 microarray is less than half a minute. The number of cycles for a proper estimation of the enzyme activity is inversely proportional to the enzyme activity: long measurement times are needed to determine low enzyme activity levels.

  5. Superoxide anion radical (O sub 2 sup sm bullet minus ) mediated base-catalyzed autoxidation of. alpha. -keto enols

    SciTech Connect

    Frimer, A.A.; Gilinsky-Sharon, P.; Aljadeff, G.; Marks, V.; Rosental, Z. )

    1989-09-29

    Eight 4,4-disubstituted 2-hydroxycyclohexa-2,5-dien-1-ones were prepared by the base-catalyzed autoxidation (BCA) of the corresponding 4,4- or 5,5-disubstituted cyclohex-2-en-1-ones. Upon reaction with superoxide anion radical (O{sub 2}{sup {sm bullet}{minus}}, generated from KO{sub 2}/18-crown-6) in inert nonpolar aprotic media at room temperature, {alpha}-keto enols 3a-g undergo initial deprotonation of the enol hydrogen followed by BCA at C{sub 3} of the resulting enolate. Aqueous acid workshop of the reaction mixture yields lactols 4, while methyl iodide quenching generated methoxy lactones 5. Lactols 4 can be readily converted to their acetoxy analogues 8, opened to aldehydo methyl esters 6, or reduced to the related lactones 7. The latter suggests a convenient one-pot synthesis of 2,3-unsaturated {delta}-valerolactones from the corresponding cyclohex-2-en-1-ones. 4,4-Diphenyl enol 3h, by contrast, resists BCA (whether mediated by O{sub 2}{sup {sm bullet}{minus}} or t-C{sub 4}H{sub 9}O{sup {minus}}) to the corresponding lactol yielding instead a variety of oxidative cleavage products 13-18. 2-Hydroxyspiro(4.5)dec-1-en-3-one (21) also underwent O{sub 2}{sup {sm bullet}{minus}}-mediated BCA, yielding diacids 22 and 26 as well as lactol 30. The synthetic applications of these results are also discussed.

  6. Discrete wavelet transform and singular value decomposition based ECG steganography for secured patient information transmission.

    PubMed

    Edward Jero, S; Ramu, Palaniappan; Ramakrishnan, S

    2014-10-01

    ECG Steganography provides secured transmission of secret information such as patient personal information through ECG signals. This paper proposes an approach that uses discrete wavelet transform to decompose signals and singular value decomposition (SVD) to embed the secret information into the decomposed ECG signal. The novelty of the proposed method is to embed the watermark using SVD into the two dimensional (2D) ECG image. The embedding of secret information in a selected sub band of the decomposed ECG is achieved by replacing the singular values of the decomposed cover image by the singular values of the secret data. The performance assessment of the proposed approach allows understanding the suitable sub-band to hide secret data and the signal degradation that will affect diagnosability. Performance is measured using metrics like Kullback-Leibler divergence (KL), percentage residual difference (PRD), peak signal to noise ratio (PSNR) and bit error rate (BER). A dynamic location selection approach for embedding the singular values is also discussed. The proposed approach is demonstrated on a MIT-BIH database and the observations validate that HH is the ideal sub-band to hide data. It is also observed that the signal degradation (less than 0.6%) is very less in the proposed approach even with the secret data being as large as the sub band size. So, it does not affect the diagnosability and is reliable to transmit patient information. PMID:25187409

  7. Spectral analysis of Hall-effect thruster plasma oscillations based on the empirical mode decomposition

    SciTech Connect

    Kurzyna, J.; Mazouffre, S.; Lazurenko, A.; Albarede, L.; Bonhomme, G.; Makowski, K.; Dudeck, M.; Peradzynski, Z.

    2005-12-15

    Hall-effect thruster plasma oscillations recorded by means of probes located at the channel exit are analyzed using the empirical mode decomposition (EMD) method. This self-adaptive technique permits to decompose a nonstationary signal into a set of intrinsic modes, and acts as a very efficient filter allowing to separate contributions of different underlying physical mechanisms. Applying the Hilbert transform to the whole set of modes allows to identify peculiar events and to assign them a range of instantaneous frequency and power. In addition to 25 kHz breathing-type oscillations which are unambiguously identified, the EMD approach confirms the existence of oscillations with instantaneous frequencies in the range of 100-500 kHz typical for ion transit-time oscillations. Modeling of high-frequency modes ({nu}{approx}10 MHz) resulting from EMD of measured wave forms supports the idea that high-frequency plasma oscillations originate from electron-density perturbations propagating azimuthally with the electron drift velocity.

  8. Singular Value Decomposition Based Features for Automatic Tumor Detection in Wireless Capsule Endoscopy Images

    PubMed Central

    Karimian Khosroshahi, Ghader; Zolfy Lighvan, Mina

    2016-01-01

    Wireless capsule endoscopy (WCE) is a new noninvasive instrument which allows direct observation of the gastrointestinal tract to diagnose its relative diseases. Because of the large number of images obtained from the capsule endoscopy per patient, doctors need too much time to investigate all of them. So, it would be worthwhile to design a system for detecting diseases automatically. In this paper, a new method is presented for automatic detection of tumors in the WCE images. This method will utilize the advantages of the discrete wavelet transform (DWT) and singular value decomposition (SVD) algorithms to extract features from different color channels of the WCE images. Therefore, the extracted features are invariant to rotation and can describe multiresolution characteristics of the WCE images. In order to classify the WCE images, the support vector machine (SVM) method is applied to a data set which includes 400 normal and 400 tumor WCE images. The experimental results show proper performance of the proposed algorithm for detection and isolation of the tumor images which, in the best way, shows 94%, 93%, and 93.5% of sensitivity, specificity, and accuracy in the RGB color space, respectively. PMID:27478364

  9. An Optimal Orthogonal Decomposition Method for Kalman Filter-Based Turbofan Engine Thrust Estimation

    NASA Technical Reports Server (NTRS)

    Litt, Jonathan S.

    2007-01-01

    A new linear point design technique is presented for the determination of tuning parameters that enable the optimal estimation of unmeasured engine outputs, such as thrust. The engine's performance is affected by its level of degradation, generally described in terms of unmeasurable health parameters related to each major engine component. Accurate thrust reconstruction depends on knowledge of these health parameters, but there are usually too few sensors to be able to estimate their values. In this new technique, a set of tuning parameters is determined that accounts for degradation by representing the overall effect of the larger set of health parameters as closely as possible in a least squares sense. The technique takes advantage of the properties of the singular value decomposition of a matrix to generate a tuning parameter vector of low enough dimension that it can be estimated by a Kalman filter. A concise design procedure to generate a tuning vector that specifically takes into account the variables of interest is presented. An example demonstrates the tuning parameters ability to facilitate matching of both measured and unmeasured engine outputs, as well as state variables. Additional properties of the formulation are shown to lend themselves well to diagnostics.

  10. An Optimal Orthogonal Decomposition Method for Kalman Filter-Based Turbofan Engine Thrust Estimation

    NASA Technical Reports Server (NTRS)

    Litt, Jonathan S.

    2007-01-01

    A new linear point design technique is presented for the determination of tuning parameters that enable the optimal estimation of unmeasured engine outputs, such as thrust. The engine s performance is affected by its level of degradation, generally described in terms of unmeasurable health parameters related to each major engine component. Accurate thrust reconstruction depends on knowledge of these health parameters, but there are usually too few sensors to be able to estimate their values. In this new technique, a set of tuning parameters is determined that accounts for degradation by representing the overall effect of the larger set of health parameters as closely as possible in a least-squares sense. The technique takes advantage of the properties of the singular value decomposition of a matrix to generate a tuning parameter vector of low enough dimension that it can be estimated by a Kalman filter. A concise design procedure to generate a tuning vector that specifically takes into account the variables of interest is presented. An example demonstrates the tuning parameters ability to facilitate matching of both measured and unmeasured engine outputs, as well as state variables. Additional properties of the formulation are shown to lend themselves well to diagnostics.

  11. An Optimal Orthogonal Decomposition Method for Kalman Filter-Based Turbofan Engine Thrust Estimation

    NASA Technical Reports Server (NTRS)

    Litt, Jonathan S.

    2005-01-01

    A new linear point design technique is presented for the determination of tuning parameters that enable the optimal estimation of unmeasured engine outputs such as thrust. The engine s performance is affected by its level of degradation, generally described in terms of unmeasurable health parameters related to each major engine component. Accurate thrust reconstruction depends upon knowledge of these health parameters, but there are usually too few sensors to be able to estimate their values. In this new technique, a set of tuning parameters is determined which accounts for degradation by representing the overall effect of the larger set of health parameters as closely as possible in a least squares sense. The technique takes advantage of the properties of the singular value decomposition of a matrix to generate a tuning parameter vector of low enough dimension that it can be estimated by a Kalman filter. A concise design procedure to generate a tuning vector that specifically takes into account the variables of interest is presented. An example demonstrates the tuning parameters ability to facilitate matching of both measured and unmeasured engine outputs, as well as state variables. Additional properties of the formulation are shown to lend themselves well to diagnostics.

  12. Thermodynamics and thermal decomposition for shape memory effects with crystallization based on dissipation and logarithmic strain

    NASA Astrophysics Data System (ADS)

    Hall, R. B.; Rao, I. J.; Qi, H. J.

    2014-05-01

    The present effort provides a 3-D thermodynamic framework generalizing the 1-D modeling of 2-way shape memory materials described by Westbrook et al. (J. Eng. Mater. Technol. 312:041010, 2010) and Chung et al. (Macromolecules 41:184-192, 2008), while extending the strain-induced crystallization and shape memory approaches of Rao and Rajagopal (Interfaces Free Bound. 2:73-94, 2000; Int. J. Solids Struct. 38:1149-1167, 2001), Barot and Rao (Z. Angew. Math. Phys. 57:652-681, 2006), and Barot et al. (Int. J. Eng. Sci. 46:325-351, 2008) to include finite thermal expansion within a logarithmic strain basis. The free energy of newly-formed orthotropic crystallites is assumed additive, with no strains in their respective configurations of formation. A multiplicative decomposition is assumed for the assumed thermoelastic orthotropic expansional strains of the respective crystallites. The properties of the crystallites are allowed to depend both on current temperature and their respective temperatures of formation. The entropy production rate relation is written in the frame rotating with the logarithmic spin and produces stress and entropy relations incorporating the integrated configurational free energies, and a driving term for the crystallization analogous to that obtained by the previous studies of Rao et al. The salient attributes of the 1-D modeling of Westbrook et al. are recovered, and applications are discussed.

  13. Singular Value Decomposition Based Features for Automatic Tumor Detection in Wireless Capsule Endoscopy Images.

    PubMed

    Faghih Dinevari, Vahid; Karimian Khosroshahi, Ghader; Zolfy Lighvan, Mina

    2016-01-01

    Wireless capsule endoscopy (WCE) is a new noninvasive instrument which allows direct observation of the gastrointestinal tract to diagnose its relative diseases. Because of the large number of images obtained from the capsule endoscopy per patient, doctors need too much time to investigate all of them. So, it would be worthwhile to design a system for detecting diseases automatically. In this paper, a new method is presented for automatic detection of tumors in the WCE images. This method will utilize the advantages of the discrete wavelet transform (DWT) and singular value decomposition (SVD) algorithms to extract features from different color channels of the WCE images. Therefore, the extracted features are invariant to rotation and can describe multiresolution characteristics of the WCE images. In order to classify the WCE images, the support vector machine (SVM) method is applied to a data set which includes 400 normal and 400 tumor WCE images. The experimental results show proper performance of the proposed algorithm for detection and isolation of the tumor images which, in the best way, shows 94%, 93%, and 93.5% of sensitivity, specificity, and accuracy in the RGB color space, respectively. PMID:27478364

  14. Experimental methodology for turbocompressor in-duct noise evaluation based on beamforming wave decomposition

    NASA Astrophysics Data System (ADS)

    Torregrosa, A. J.; Broatch, A.; Margot, X.; García-Tíscar, J.

    2016-08-01

    An experimental methodology is proposed to assess the noise emission of centrifugal turbocompressors like those of automotive turbochargers. A step-by-step procedure is detailed, starting from the theoretical considerations of sound measurement in flow ducts and examining specific experimental setup guidelines and signal processing routines. Special care is taken regarding some limiting factors that adversely affect the measuring of sound intensity in ducts, namely calibration, sensor placement and frequency ranges and restrictions. In order to provide illustrative examples of the proposed techniques and results, the methodology has been applied to the acoustic evaluation of a small automotive turbocharger in a flow bench. Samples of raw pressure spectra, decomposed pressure waves, calibration results, accurate surge characterization and final compressor noise maps and estimated spectrograms are provided. The analysis of selected frequency bands successfully shows how different, known noise phenomena of particular interest such as mid-frequency "whoosh noise" and low-frequency surge onset are correlated with operating conditions of the turbocharger. Comparison against external inlet orifice intensity measurements shows good correlation and improvement with respect to alternative wave decomposition techniques.

  15. Nanostructured Polyphase Catalysts Based on the Solid Component of Welding Aerosol for Ozone Decomposition.

    PubMed

    Rakitskaya, Tatyana; Truba, Alla; Ennan, Alim; Volkova, Vitaliya

    2015-12-01

    Samples of the solid component of welding aerosols (SCWAs) were obtained as a result of steel welding by ANO-4, TsL‑11, and UONI13/55 electrodes of Ukrainian manufacture. The phase compositions of the samples, both freshly prepared (FP) and modified (M) by water treatment at 60 °C, were studied by X-ray phase analysis and IR spectroscopy. All samples contain magnetite demonstrating its reflex at 2θ ~ 35° characteristic of cubic spinel as well as manganochromite and iron oxides. FP SCWA-TsL and FP SCWA-UONI contain such phases as СaF2, water-soluble fluorides, chromates, and carbonates of alkali metals. After modification of the SCWA samples, water-soluble phases in their composition are undetectable. The size of magnetite nanoparticles varies from 15 to 68 nm depending on the chemical composition of electrodes under study. IR spectral investigations confirm the polyphase composition of the SCWAs. As to IR spectra, the biggest differences are apparent in the regions of deformation vibrations of M-O-H bonds and stretching vibrations of M-O bonds (M-Fe, Cr). The catalytic activity of the SCWAs in the reaction of ozone decomposition decreases in the order SCWA-ANO > SCWA-UONI > SCWA-TsL corresponding to the decrease in the content of catalytically active phases in their compositions. PMID:26646686

  16. Streaming visualisation of quantitative mass spectrometry data based on a novel raw signal decomposition method

    PubMed Central

    Zhang, Yan; Bhamber, Ranjeet; Riba-Garcia, Isabel; Liao, Hanqing; Unwin, Richard D; Dowsey, Andrew W

    2015-01-01

    As data rates rise, there is a danger that informatics for high-throughput LC-MS becomes more opaque and inaccessible to practitioners. It is therefore critical that efficient visualisation tools are available to facilitate quality control, verification, validation, interpretation, and sharing of raw MS data and the results of MS analyses. Currently, MS data is stored as contiguous spectra. Recall of individual spectra is quick but panoramas, zooming and panning across whole datasets necessitates processing/memory overheads impractical for interactive use. Moreover, visualisation is challenging if significant quantification data is missing due to data-dependent acquisition of MS/MS spectra. In order to tackle these issues, we leverage our seaMass technique for novel signal decomposition. LC-MS data is modelled as a 2D surface through selection of a sparse set of weighted B-spline basis functions from an over-complete dictionary. By ordering and spatially partitioning the weights with an R-tree data model, efficient streaming visualisations are achieved. In this paper, we describe the core MS1 visualisation engine and overlay of MS/MS annotations. This enables the mass spectrometrist to quickly inspect whole runs for ionisation/chromatographic issues, MS/MS precursors for coverage problems, or putative biomarkers for interferences, for example. The open-source software is available from http://seamass.net/viz/. PMID:25663356

  17. Nanostructured Polyphase Catalysts Based on the Solid Component of Welding Aerosol for Ozone Decomposition

    NASA Astrophysics Data System (ADS)

    Rakitskaya, Tatyana; Truba, Alla; Ennan, Alim; Volkova, Vitaliya

    2015-12-01

    Samples of the solid component of welding aerosols (SCWAs) were obtained as a result of steel welding by ANO-4, TsL-11, and UONI13/55 electrodes of Ukrainian manufacture. The phase compositions of the samples, both freshly prepared (FP) and modified (M) by water treatment at 60 °C, were studied by X-ray phase analysis and IR spectroscopy. All samples contain magnetite demonstrating its reflex at 2 θ ~ 35° characteristic of cubic spinel as well as manganochromite and iron oxides. FP SCWA-TsL and FP SCWA-UONI contain such phases as CaF2, water-soluble fluorides, chromates, and carbonates of alkali metals. After modification of the SCWA samples, water-soluble phases in their composition are undetectable. The size of magnetite nanoparticles varies from 15 to 68 nm depending on the chemical composition of electrodes under study. IR spectral investigations confirm the polyphase composition of the SCWAs. As to IR spectra, the biggest differences are apparent in the regions of deformation vibrations of M-O-H bonds and stretching vibrations of M-O bonds (M-Fe, Cr). The catalytic activity of the SCWAs in the reaction of ozone decomposition decreases in the order SCWA-ANO > SCWA-UONI > SCWA-TsL corresponding to the decrease in the content of catalytically active phases in their compositions.

  18. Cardiopulmonary Resuscitation Pattern Evaluation Based on Ensemble Empirical Mode Decomposition Filter via Nonlinear Approaches.

    PubMed

    Sadrawi, Muammar; Sun, Wei-Zen; Ma, Matthew Huei-Ming; Dai, Chun-Yi; Abbod, Maysam F; Shieh, Jiann-Shing

    2016-01-01

    Good quality cardiopulmonary resuscitation (CPR) is the mainstay of treatment for managing patients with out-of-hospital cardiac arrest (OHCA). Assessment of the quality of the CPR delivered is now possible through the electrocardiography (ECG) signal that can be collected by an automated external defibrillator (AED). This study evaluates a nonlinear approximation of the CPR given to the asystole patients. The raw ECG signal is filtered using ensemble empirical mode decomposition (EEMD), and the CPR-related intrinsic mode functions (IMF) are chosen to be evaluated. In addition, sample entropy (SE), complexity index (CI), and detrended fluctuation algorithm (DFA) are collated and statistical analysis is performed using ANOVA. The primary outcome measure assessed is the patient survival rate after two hours. CPR pattern of 951 asystole patients was analyzed for quality of CPR delivered. There was no significant difference observed in the CPR-related IMFs peak-to-peak interval analysis for patients who are younger or older than 60 years of age, similarly to the amplitude difference evaluation for SE and DFA. However, there is a difference noted for the CI (p < 0.05). The results show that patients group younger than 60 years have higher survival rate with high complexity of the CPR-IMFs amplitude differences. PMID:27529068

  19. Streaming visualisation of quantitative mass spectrometry data based on a novel raw signal decomposition method.

    PubMed

    Zhang, Yan; Bhamber, Ranjeet; Riba-Garcia, Isabel; Liao, Hanqing; Unwin, Richard D; Dowsey, Andrew W

    2015-04-01

    As data rates rise, there is a danger that informatics for high-throughput LC-MS becomes more opaque and inaccessible to practitioners. It is therefore critical that efficient visualisation tools are available to facilitate quality control, verification, validation, interpretation, and sharing of raw MS data and the results of MS analyses. Currently, MS data is stored as contiguous spectra. Recall of individual spectra is quick but panoramas, zooming and panning across whole datasets necessitates processing/memory overheads impractical for interactive use. Moreover, visualisation is challenging if significant quantification data is missing due to data-dependent acquisition of MS/MS spectra. In order to tackle these issues, we leverage our seaMass technique for novel signal decomposition. LC-MS data is modelled as a 2D surface through selection of a sparse set of weighted B-spline basis functions from an over-complete dictionary. By ordering and spatially partitioning the weights with an R-tree data model, efficient streaming visualisations are achieved. In this paper, we describe the core MS1 visualisation engine and overlay of MS/MS annotations. This enables the mass spectrometrist to quickly inspect whole runs for ionisation/chromatographic issues, MS/MS precursors for coverage problems, or putative biomarkers for interferences, for example. The open-source software is available from http://seamass.net/viz/. PMID:25663356

  20. A tree canopy height delineation method based on Morphological Reconstruction—Open Crown Decomposition

    NASA Astrophysics Data System (ADS)

    Liu, Q.; Jing, L.; Li, Y.; Tang, Y.; Li, H.; Lin, Q.

    2016-04-01

    For the purpose of forest management, high resolution LIDAR and optical remote sensing imageries are used for treetop detection, tree crown delineation, and classification. The purpose of this study is to develop a self-adjusted dominant scales calculation method and a new crown horizontal cutting method of tree canopy height model (CHM) to detect and delineate tree crowns from LIDAR, under the hypothesis that a treetop is radiometric or altitudinal maximum and tree crowns consist of multi-scale branches. The major concept of the method is to develop an automatic selecting strategy of feature scale on CHM, and a multi-scale morphological reconstruction–open crown decomposition (MRCD) to get morphological multi-scale features of CHM by: cutting CHM from treetop to the ground; analysing and refining the dominant multiple scales with differential horizontal profiles to get treetops; segmenting LiDAR CHM using watershed a segmentation approach marked with MRCD treetops. This method has solved the problems of false detection of CHM side-surface extracted by the traditional morphological opening canopy segment (MOCS) method. The novel MRCD delineates more accurate and quantitative multi-scale features of CHM, and enables more accurate detection and segmentation of treetops and crown. Besides, the MRCD method can also be extended to high optical remote sensing tree crown extraction. In an experiment on aerial LiDAR CHM of a forest of multi-scale tree crowns, the proposed method yielded high-quality tree crown maps.

  1. Cardiopulmonary Resuscitation Pattern Evaluation Based on Ensemble Empirical Mode Decomposition Filter via Nonlinear Approaches

    PubMed Central

    Ma, Matthew Huei-Ming

    2016-01-01

    Good quality cardiopulmonary resuscitation (CPR) is the mainstay of treatment for managing patients with out-of-hospital cardiac arrest (OHCA). Assessment of the quality of the CPR delivered is now possible through the electrocardiography (ECG) signal that can be collected by an automated external defibrillator (AED). This study evaluates a nonlinear approximation of the CPR given to the asystole patients. The raw ECG signal is filtered using ensemble empirical mode decomposition (EEMD), and the CPR-related intrinsic mode functions (IMF) are chosen to be evaluated. In addition, sample entropy (SE), complexity index (CI), and detrended fluctuation algorithm (DFA) are collated and statistical analysis is performed using ANOVA. The primary outcome measure assessed is the patient survival rate after two hours. CPR pattern of 951 asystole patients was analyzed for quality of CPR delivered. There was no significant difference observed in the CPR-related IMFs peak-to-peak interval analysis for patients who are younger or older than 60 years of age, similarly to the amplitude difference evaluation for SE and DFA. However, there is a difference noted for the CI (p < 0.05). The results show that patients group younger than 60 years have higher survival rate with high complexity of the CPR-IMFs amplitude differences. PMID:27529068

  2. Strain-level bacterial identification by CeO2-catalyzed MALDI-TOF MS fatty acid analysis and comparison to commercial protein-based methods

    PubMed Central

    Cox, C. R.; Jensen, K. R.; Saichek, N. R.; Voorhees, K. J.

    2015-01-01

    Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has emerged as a rapid approach for clinical bacterial identification. However, current protein-based commercial bacterial ID methods fall short when differentiating closely related species/strains. To address this shortcoming, we employed CeO2-catalyzed fragmentation of lipids to produce fatty acids using the energy inherent to the MALDI laser as a novel alternative to protein profiling. Fatty acid profiles collected from Enterobacteriaceae, Acinetobacter, and Listeria using CeO2-catalyzed metal oxide laser ionization (MOLI MS), processed by principal component analysis, and validated by leave–one-out cross-validation (CV), showed 100% correct classification at the species level and 98% at the strain level. In comparison, protein profile data from the same bacteria yielded 32%, 54% and 67% mean species-level accuracy using two MALDI-TOF MS platforms, respectively. In addition, several pathogens were misidentified by protein profiling as non-pathogens and vice versa. These results suggest novel CeO2-catalyzed lipid fragmentation readily produced (i) taxonomically tractable fatty acid profiles by MOLI MS, (ii) highly accurate bacterial classification and (iii) consistent strain-level ID for bacteria that were routinely misidentified by protein-based methods. PMID:26190224

  3. 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. PMID:21198596

  4. Gyroscope-driven mouse pointer with an EMOTIV® EEG headset and data analysis based on Empirical Mode Decomposition.

    PubMed

    Rosas-Cholula, Gerardo; Ramirez-Cortes, Juan Manuel; Alarcon-Aquino, Vicente; Gomez-Gil, Pilar; Rangel-Magdaleno, Jose de Jesus; Reyes-Garcia, Carlos

    2013-01-01

    This paper presents a project on the development of a cursor control emulating the typical operations of a computer-mouse, using gyroscope and eye-blinking electromyographic signals which are obtained through a commercial 16-electrode wireless headset, recently released by Emotiv. The cursor position is controlled using information from a gyroscope included in the headset. The clicks are generated through the user's blinking with an adequate detection procedure based on the spectral-like technique called Empirical Mode Decomposition (EMD). EMD is proposed as a simple and quick computational tool, yet effective, aimed to artifact reduction from head movements as well as a method to detect blinking signals for mouse control. Kalman filter is used as state estimator for mouse position control and jitter removal. The detection rate obtained in average was 94.9%. Experimental setup and some obtained results are presented. PMID:23948873

  5. Gyroscope-Driven Mouse Pointer with an EMOTIV® EEG Headset and Data Analysis Based on Empirical Mode Decomposition

    PubMed Central

    Rosas-Cholula, Gerardo; Ramirez-Cortes, Juan Manuel; Alarcon-Aquino, Vicente; Gomez-Gil, Pilar; Rangel-Magdaleno, Jose de Jesus; Reyes-Garcia, Carlos

    2013-01-01

    This paper presents a project on the development of a cursor control emulating the typical operations of a computer-mouse, using gyroscope and eye-blinking electromyographic signals which are obtained through a commercial 16-electrode wireless headset, recently released by Emotiv. The cursor position is controlled using information from a gyroscope included in the headset. The clicks are generated through the user's blinking with an adequate detection procedure based on the spectral-like technique called Empirical Mode Decomposition (EMD). EMD is proposed as a simple and quick computational tool, yet effective, aimed to artifact reduction from head movements as well as a method to detect blinking signals for mouse control. Kalman filter is used as state estimator for mouse position control and jitter removal. The detection rate obtained in average was 94.9%. Experimental setup and some obtained results are presented. PMID:23948873

  6. Characteristic Analysis and DSP Realization of Fractional-Order Simplified Lorenz System Based on Adomian Decomposition Method

    NASA Astrophysics Data System (ADS)

    Wang, Huihai; Sun, Kehui; He, Shaobo

    2015-06-01

    By adopting Adomian decomposition method, the fractional-order simplified Lorenz system is solved and implemented on a digital signal processor (DSP). The Lyapunov exponent (LE) spectra of the system is calculated based on QR-factorization, and it accords well with the corresponding bifurcation diagrams. We analyze the influence of the parameter and the fractional derivative order on the system characteristics by color maximum LE (LEmax) and chaos diagrams. It is found that the smaller the order is, the larger the LEmax is. The iteration step size also affects the lowest order at which the chaos exists. Further, we implement the fractional-order simplified Lorenz system on a DSP platform. The phase portraits generated on DSP are consistent with the results that were obtained by computer simulations. It lays a good foundation for applications of the fractional-order chaotic systems.

  7. Analysis of Vibration and Noise of Construction Machinery Based on Ensemble Empirical Mode Decomposition and Spectral Correlation Analysis Method

    NASA Astrophysics Data System (ADS)

    Chen, Yuebiao; Zhou, Yiqi; Yu, Gang; Lu, Dan

    In order to analyze the effect of engine vibration on cab noise of construction machinery in multi-frequency bands, a new method based on ensemble empirical mode decomposition (EEMD) and spectral correlation analysis is proposed. Firstly, the intrinsic mode functions (IMFs) of vibration and noise signals were obtained by EEMD method, and then the IMFs which have the same frequency bands were selected. Secondly, we calculated the spectral correlation coefficients between the selected IMFs, getting the main frequency bands in which engine vibration has significant impact on cab noise. Thirdly, the dominated frequencies were picked out and analyzed by spectral analysis method. The study result shows that the main frequency bands and dominated frequencies in which engine vibration have serious impact on cab noise can be identified effectively by the proposed method, which provides effective guidance to noise reduction of construction machinery.

  8. An RNA-based analysis of changes in biodiversity indices in response to Sus scrofa domesticus decomposition.

    PubMed

    Bergmann, R C; Ralebitso-Senior, T K; Thompson, T J U

    2014-08-01

    Despite emergent research initiatives, significant knowledge gaps remain of soil microbiology-associated cadaver decomposition. Nevertheless, preliminary studies have shown that the vast diversity and complex interactions of soil microbial communities have great potential for forensic applications such as clandestine grave location and postmortem interval estimation. This study investigated changes in soil bacterial communities during pig (Sus scrofa domesticus) leg decomposition. 16S rRNA, instead of the usually applied 16S rDNA marker, was used to compare the metabolically active bacteria. Total bacterial RNA was extracted from soil samples of three different layers on day 3, 28 and 77 after the shallow burial of a pig leg. The V3 region of the 16S rRNA was amplified, analysed by RT-PCR DGGE, and compared with control soil bacterial community profiles. Statistically significant differences in soil bacterial biodiversity were observed. For the control, bacterial diversity (H') and species richness (S) of the three layers averaged 2.48±0.14 (H') and 18.8±2.5 (S), respectively, while for the test soil increases (p=0.027) were recorded between day 3 (H'=2.71±0.02; S=21.3±2.0) and 28 (H'=3.46±0.32; S=60.3±16.9), particularly in the middle (10-20 cm) and bottom (20-30 cm) soil layers. Between day 28 and 77 the diversity and richness then decreased on average for all three layers (H'=3.43±0.20; S=60.0±17.3) but remained higher than on day 3. Thus, responses in soil bacterial profiles and activity to carcass decomposition, detected and characterised by RNA-based DGGE, could be used together with RNA sequencing data, changes in physico-chemical variables (carbon, nitrogen, phosphorus, temperature, redox potential, water activity and pH) and conventional macroecology markers (e.g. insects and vegetation), to develop a suite of analytical protocols for different forensic scenarios. PMID:24967869

  9. Multiscale Detrended Cross-Correlation Analysis of Traffic Time Series Based on Empirical Mode Decomposition

    NASA Astrophysics Data System (ADS)

    Yin, Yi; Shang, Pengjian

    2015-04-01

    In this paper, we propose multiscale detrended cross-correlation analysis (MSDCCA) to detect the long-range power-law cross-correlation of considered signals in the presence of nonstationarity. For improving the performance and getting better robustness, we further introduce the empirical mode decomposition (EMD) to eliminate the noise effects and propose MSDCCA method combined with EMD, which is called MS-EDXA method, then systematically investigate the multiscale cross-correlation structure of the real traffic signals. We apply the MSDCCA and MS-EDXA methods to study the cross-correlations in three situations: velocity and volume on one lane, velocities on the present and the next moment and velocities on the adjacent lanes, and further compare their spectrums respectively. When the difference between the spectrums of MSDCCA and MS-EDXA becomes unobvious, there is a crossover which denotes the turning point of difference. The crossover results from the competition between the noise effects in the original signals and the intrinsic fluctuation of traffic signals and divides the plot of spectrums into two regions. In all the three case, MS-EDXA method makes the average of local scaling exponents increased and the standard deviation decreased and provides a relative stable persistent scaling cross-correlated behavior which gets the analysis more precise and more robust and improves the performance after noises being removed. Applying MS-EDXA method avoids the inaccurate characteristics of multiscale cross-correlation structure at the short scale including the spectrum minimum, the range for the spectrum fluctuation and general trend, which are caused by the noise in the original signals. We get the conclusions that the traffic velocity and volume are long-range cross-correlated, which is accordant to their actual evolution, while velocities on the present and the next moment and velocities on adjacent lanes reflect the strong cross-correlations both in temporal and

  10. A new Persistent Scatterer InSAR method based on phase decomposition, with application to subsidence in greater Houston area

    NASA Astrophysics Data System (ADS)

    Cao, N.; Lee, H.; Jung, H. C.

    2014-12-01

    A Phase-Decomposition-based Persistent Scatterer InSAR (PD-PSInSAR) method is developed in this study to improve the coherence and spatial density of targets. The general idea of conventional PSInSAR is to find and analyze pointwise stable persistent scatterers (PS). In order to improve the PS network density, distributed scatterers (DS) has also been utilized in several advanced PSInSAR techniques. Unlike these techniques which assumes that a DS involves many independent small scatterers sharing the same scatterering mechanism, this study considers additional two general cases: (1) a DS that contains many small scatterers sharing two or more different scatterering mechanisms, (2) two or more dominant scatterers with different scatterering mechanisms that exist within the same resolution pixel. DSs with multiple scatterering mechanisms can occur in rural areas and some urban areas, especially with low spatial resolution. Extracting information from DSs with multiple scatterering mechanisms is difficult for the existing DS algorithms because of the interference between different scatterering mechanisms. The new PD-PSInSAR method is developed to overcome this limit by using Eigen-decomposition to estimate the phases corresponding to the different scatterering mechanisms, and then implement these estimated phases in conventional PSInSAR process. Therefore, the interference between different scatterering mechanisms becomes mitigated and the obtained phases are expected to have better coherence. This PD-PSInSAR technique is used to estimate the land deformation over the greater Houston area using 25 ENVISAT ASAR data spanning from July 2004 to June 2010. The deformation map reveals significant subsidence up to approximately 2 cm/year over north and northwestern part of greater Houston. Comparison between the conventional PSInSAR and PD-PSInSAR method verifies that the proposed method can detect more PSs and provide better coherences.

  11. A fault diagnosis scheme for rolling bearing based on local mean decomposition and improved multiscale fuzzy entropy

    NASA Astrophysics Data System (ADS)

    Li, Yongbo; Xu, Minqiang; Wang, Rixin; Huang, Wenhu

    2016-01-01

    This paper presents a new rolling bearing fault diagnosis method based on local mean decomposition (LMD), improved multiscale fuzzy entropy (IMFE), Laplacian score (LS) and improved support vector machine based binary tree (ISVM-BT). When the fault occurs in rolling bearings, the measured vibration signal is a multi-component amplitude-modulated and frequency-modulated (AM-FM) signal. LMD, a new self-adaptive time-frequency analysis method can decompose any complicated signal into a series of product functions (PFs), each of which is exactly a mono-component AM-FM signal. Hence, LMD is introduced to preprocess the vibration signal. Furthermore, IMFE that is designed to avoid the inaccurate estimation of fuzzy entropy can be utilized to quantify the complexity and self-similarity of time series for a range of scales based on fuzzy entropy. Besides, the LS approach is introduced to refine the fault features by sorting the scale factors. Subsequently, the obtained features are fed into the multi-fault classifier ISVM-BT to automatically fulfill the fault pattern identifications. The experimental results validate the effectiveness of the methodology and demonstrate that proposed algorithm can be applied to recognize the different categories and severities of rolling bearings.

  12. Propagation of human iPS cells in alginate-based microcapsules prepared using reactions catalyzed by horseradish peroxidase and catalase.

    PubMed

    Ashida, Tomoaki; Sakai, Shinji; Taya, Masahito

    2016-09-01

    Cell encapsulation has been investigated as a bioproduction system in the biomedical and pharmaceutical fields. We encaps-ulated human induced pluripotent stem (hiPS) cells in duplex microcapsules prepared from an alginate derivative possessing phenolic hydroxyl moieties, in a single-step procedure based on two competing enzymatic reactions catalyzed by horseradish peroxidase (HRP) and catalase. The encapsulated cells maintained 91.4% viability and proliferated to fill the microcapsules following 19 days of culture. Encapsulated hiPS cells showed pluripotency comparable to that of unencapsulated cells during the cultures, as demonstrated by the expression of the SSEA-4 marker. PMID:26148179

  13. Excess Sodium Tetraphenylborate and Intermediates Decomposition Studies

    SciTech Connect

    Barnes, M.J.

    1998-12-07

    The stability of excess amounts of sodium tetraphenylborate (NaTPB) in the In-Tank Precipitation (ITP) facility depends on a number of variables. Concentration of palladium, initial benzene, and sodium ion as well as temperature provide the best opportunities for controlling the decomposition rate. This study examined the influence of these four variable on the reactivity of palladium-catalyzed sodium tetraphenylborate decomposition. Also, single effects tests investigated the reactivity of simulants with continuous stirring and nitrogen ventilation, with very high benzene concentrations, under washed sodium concentrations, with very high palladium concentrations, and with minimal quantities of excess NaTPB.

  14. Forecast-based financing: an approach for catalyzing humanitarian action based on extreme weather and climate forecasts

    NASA Astrophysics Data System (ADS)

    Coughlan de Perez, E.; van den Hurk, B.; van Aalst, M. K.; Jongman, B.; Klose, T.; Suarez, P.

    2015-04-01

    Disaster risk reduction efforts traditionally focus on long-term preventative measures or post-disaster response. Outside of these, there are many short-term actions, such as evacuation, that can be implemented in the period of time between a warning and a potential disaster to reduce the risk of impacts. However, this precious window of opportunity is regularly overlooked in the case of climate and weather forecasts, which can indicate heightened risk of disaster but are rarely used to initiate preventative action. Barriers range from the protracted debate over the best strategy for intervention to the inherent uncomfortableness on the part of donors to invest in a situation that will likely arise but is not certain. In general, it is unclear what levels of forecast probability and magnitude are "worth" reacting to. Here, we propose a novel forecast-based financing system to automatically trigger action based on climate forecasts or observations. The system matches threshold forecast probabilities with appropriate actions, disburses required funding when threshold forecasts are issued, and develops standard operating procedures that contain the mandate to act when these threshold forecasts are issued. We detail the methods that can be used to establish such a system, and provide illustrations from several pilot cases. Ultimately, such a system can be scaled up in disaster-prone areas worldwide to improve effectiveness at reducing the risk of disaster.

  15. [Research on ECG de-noising method based on ensemble empirical mode decomposition and wavelet transform using improved threshold function].

    PubMed

    Ye, Linlin; Yang, Dan; Wang, Xu

    2014-06-01

    A de-noising method for electrocardiogram (ECG) based on ensemble empirical mode decomposition (EEMD) and wavelet threshold de-noising theory is proposed in our school. We decomposed noised ECG signals with the proposed method using the EEMD and calculated a series of intrinsic mode functions (IMFs). Then we selected IMFs and reconstructed them to realize the de-noising for ECG. The processed ECG signals were filtered again with wavelet transform using improved threshold function. In the experiments, MIT-BIH ECG database was used for evaluating the performance of the proposed method, contrasting with de-noising method based on EEMD and wavelet transform with improved threshold function alone in parameters of signal to noise ratio (SNR) and mean square error (MSE). The results showed that the ECG waveforms de-noised with the proposed method were smooth and the amplitudes of ECG features did not attenuate. In conclusion, the method discussed in this paper can realize the ECG denoising and meanwhile keep the characteristics of original ECG signal. PMID:25219236

  16. Segmentation of knee joints in x-ray images using decomposition-based sweeping and graph search

    NASA Astrophysics Data System (ADS)

    Mu, Jian; Liu, Xiaomin; Luan, Shuang; Heintz, Philip H.; Mlady, Gary W.; Chen, Danny Z.

    2011-03-01

    Plain radiography (i.e., X-ray imaging) provides an effective and economical imaging modality for diagnosing knee illnesses and injuries. Automatically segmenting and analyzing knee radiographs is a challenging problem. In this paper, we present a new approach for accurately segmenting the knee joint in X-ray images. We first use the Gaussian high-pass filter to remove homogeneous regions which are unlikely to appear on bone contours. We then presegment the bones and develop a novel decomposition-based sweeping algorithm for extracting bone contour topology from the filtered skeletonized images. Our sweeping algorithm decomposes the bone structures into several relatively simple components and deals with each component separately based on its geometric characteristics using a sweeping strategy. Utilizing the presegmentation, we construct a graph to model the bone topology and apply an optimal graph search algorithm to optimize the segmentation results (with respect to our cost function defined on the bone boundaries). Our segmented results match well with the manual tracing results by radiologists. Our segmentation approach can be a valuable tool for assisting radiologists and X-ray technologists in clinical practice and training.

  17. Iterative stability analysis of spatial domain decomposition based on block Jacobi algorithm for the diamond-difference scheme

    NASA Astrophysics Data System (ADS)

    Anistratov, Dmitriy Y.; Azmy, Yousry Y.

    2015-09-01

    We study convergence of the integral transport matrix method (ITMM) based on a parallel block Jacobi (PBJ) iterative strategy for solving particle transport problems. The ITMM is a spatial domain decomposition method proposed for massively parallel computations. A Fourier analysis of the PBJ-based iterations applied to SN diamond-difference equations in 1D slab and 2D Cartesian geometries is performed. It is carried out for infinite-medium problems with homogeneous material properties. To analyze the performance of the ITMM with the PBJ algorithm and evaluate its potential in scalability we consider a limiting case of one spatial cell per subdomain. The analysis shows that in such limit the spectral radius of the iteration method is one without regard to values of the scattering ratio and optical thickness of the spatial cells. This implies lack of convergence in infinite medium. Numerical results of finite-medium problems are presented. They demonstrate effects of finite size of spatial domain on the performance of the iteration algorithm as well as its asymptotic behavior when the extent of the spatial domain increases. These numerical experiments also show that for finite domains iterative convergence to a finite criterion is achievable in a multiple of the sum of number of cells in each dimension.

  18. Strategy of computed tomography sinogram inpainting based on sinusoid-like curve decomposition and eigenvector-guided interpolation.

    PubMed

    Li, Yinsheng; Chen, Yang; Hu, Yining; Oukili, Ahmed; Luo, Limin; Chen, Wufan; Toumoulin, Christine

    2012-01-01

    Projection incompleteness in x-ray computed tomography (CT) often relates to sparse sampling or detector gaps and leads to degraded reconstructions with severe streak and ring artifacts. To suppress these artifacts, this study develops a new sinogram inpainting strategy based on sinusoid-like curve decomposition and eigenvector-guided interpolation, where each missing sinogram point is considered located within a group of sinusoid-like curves and estimated from eigenvector-guided interpolation to preserve the sinogram texture continuity. The proposed approach is evaluated on real two-dimensional fan-beam CT data, for which the projection incompleteness, due to sparse sampling and symmetric detector gaps, is simulated. A Compute Unified Device Architecture (CUDA)-based parallelization is applied on the operations of sinusoid fittings and interpolations to accelerate the algorithm. A comparative study is then conducted to evaluate the proposed approach with two other inpainting methods and with a compressed sensing iterative reconstruction. Qualitative and quantitative performances demonstrate that the proposed approach can lead to efficient artifact suppression and less structure blurring. PMID:22218362

  19. A Cutting Pattern Recognition Method for Shearers Based on Improved Ensemble Empirical Mode Decomposition and a Probabilistic Neural Network

    PubMed Central

    Xu, Jing; Wang, Zhongbin; Tan, Chao; Si, Lei; Liu, Xinhua

    2015-01-01

    In order to guarantee the stable operation of shearers and promote construction of an automatic coal mining working face, an online cutting pattern recognition method with high accuracy and speed based on Improved Ensemble Empirical Mode Decomposition (IEEMD) and Probabilistic Neural Network (PNN) is proposed. An industrial microphone is installed on the shearer and the cutting sound is collected as the recognition criterion to overcome the disadvantages of giant size, contact measurement and low identification rate of traditional detectors. To avoid end-point effects and get rid of undesirable intrinsic mode function (IMF) components in the initial signal, IEEMD is conducted on the sound. The end-point continuation based on the practical storage data is performed first to overcome the end-point effect. Next the average correlation coefficient, which is calculated by the correlation of the first IMF with others, is introduced to select essential IMFs. Then the energy and standard deviation of the reminder IMFs are extracted as features and PNN is applied to classify the cutting patterns. Finally, a simulation example, with an accuracy of 92.67%, and an industrial application prove the efficiency and correctness of the proposed method. PMID:26528985

  20. A Cutting Pattern Recognition Method for Shearers Based on Improved Ensemble Empirical Mode Decomposition and a Probabilistic Neural Network.

    PubMed

    Xu, Jing; Wang, Zhongbin; Tan, Chao; Si, Lei; Liu, Xinhua

    2015-01-01

    In order to guarantee the stable operation of shearers and promote construction of an automatic coal mining working face, an online cutting pattern recognition method with high accuracy and speed based on Improved Ensemble Empirical Mode Decomposition (IEEMD) and Probabilistic Neural Network (PNN) is proposed. An industrial microphone is installed on the shearer and the cutting sound is collected as the recognition criterion to overcome the disadvantages of giant size, contact measurement and low identification rate of traditional detectors. To avoid end-point effects and get rid of undesirable intrinsic mode function (IMF) components in the initial signal, IEEMD is conducted on the sound. The end-point continuation based on the practical storage data is performed first to overcome the end-point effect. Next the average correlation coefficient, which is calculated by the correlation of the first IMF with others, is introduced to select essential IMFs. Then the energy and standard deviation of the reminder IMFs are extracted as features and PNN is applied to classify the cutting patterns. Finally, a simulation example, with an accuracy of 92.67%, and an industrial application prove the efficiency and correctness of the proposed method. PMID:26528985

  1. Gearbox fault diagnosis using adaptive zero phase time-varying filter based on multi-scale chirplet sparse signal decomposition

    NASA Astrophysics Data System (ADS)

    Wu, Chunyan; Liu, Jian; Peng, Fuqiang; Yu, Dejie; Li, Rong

    2013-07-01

    When used for separating multi-component non-stationary signals, the adaptive time-varying filter(ATF) based on multi-scale chirplet sparse signal decomposition(MCSSD) generates phase shift and signal distortion. To overcome this drawback, the zero phase filter is introduced to the mentioned filter, and a fault diagnosis method for speed-changing gearbox is proposed. Firstly, the gear meshing frequency of each gearbox is estimated by chirplet path pursuit. Then, according to the estimated gear meshing frequencies, an adaptive zero phase time-varying filter(AZPTF) is designed to filter the original signal. Finally, the basis for fault diagnosis is acquired by the envelope order analysis to the filtered signal. The signal consisting of two time-varying amplitude modulation and frequency modulation(AM-FM) signals is respectively analyzed by ATF and AZPTF based on MCSSD. The simulation results show the variances between the original signals and the filtered signals yielded by AZPTF based on MCSSD are 13.67 and 41.14, which are far less than variances (323.45 and 482.86) between the original signals and the filtered signals obtained by ATF based on MCSSD. The experiment results on the vibration signals of gearboxes indicate that the vibration signals of the two speed-changing gearboxes installed on one foundation bed can be separated by AZPTF effectively. Based on the demodulation information of the vibration signal of each gearbox, the fault diagnosis can be implemented. Both simulation and experiment examples prove that the proposed filter can extract a mono-component time-varying AM-FM signal from the multi-component time-varying AM-FM signal without distortion.

  2. The response of the HMX-based material PBXN-9 to thermal insults: thermal decomposition kinetics and morphological changes

    SciTech Connect

    Glascoe, E A; Hsu, P C; Springer, H K; DeHaven, M R; Tan, N; Turner, H C

    2010-12-10

    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 small 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.

  3. Prostate tissue decomposition via DECT using the model based iterative image reconstruction algorithm DIRA

    NASA Astrophysics Data System (ADS)

    Malusek, Alexandr; Magnusson, Maria; Sandborg, Michael; Westin, Robin; Alm Carlsson, Gudrun

    2014-03-01

    Better knowledge of elemental composition of patient tissues may improve the accuracy of absorbed dose delivery in brachytherapy. Deficiencies of water-based protocols have been recognized and work is ongoing to implement patient-specific radiation treatment protocols. A model based iterative image reconstruction algorithm DIRA has been developed by the authors to automatically decompose patient tissues to two or three base components via dual-energy computed tomography. Performance of an updated version of DIRA was evaluated for the determination of prostate calcification. A computer simulation using an anthropomorphic phantom showed that the mass fraction of calcium in the prostate tissue was determined with accuracy better than 9%. The calculated mass fraction was little affected by the choice of the material triplet for the surrounding soft tissue. Relative differences between true and approximated values of linear attenuation coefficient and mass energy absorption coefficient for the prostate tissue were less than 6% for photon energies from 1 keV to 2 MeV. The results indicate that DIRA has the potential to improve the accuracy of dose delivery in brachytherapy despite the fact that base material triplets only approximate surrounding soft tissues.

  4. Decomposition of nitrosamines in CO2 capture by aqueous piperazine or monoethanolamine.

    PubMed

    Fine, Nathan A; Nielsen, Paul T; Rochelle, Gary T

    2014-05-20

    Amine scrubbing is an efficient method for carbon capture and sequestration, but secondary amines present in all amine solvents can form carcinogenic nitrosamines. Decomposition kinetics for n-nitrosopiperazine (MNPZ), nitrosodiethanolamine (NDELA), and nitroso-(2-hydroxyethyl) glycine (NHeGly) were measured over a range of temperature, base concentration, base strength, and CO2 loading pertinent to amine scrubbing. MNPZ and NDELA decomposition is first order in the nitrosamine, half order in base concentration, and base-catalyzed with a Brønsted slope of β = 0.5. The activation energy is 94, 106, and 112 kJ/mol for MNPZ, NDELA, and NHeGly, respectively. MNPZ readily decomposes at 150 °C in 5 M piperazine, making thermal decomposition an important mechanism for MNPZ control. However, NHeGly and NDELA are too stable at 120 °C in 7 M monoethanolamine (MEA) for thermal decomposition to be important. Base treatment during reclaiming could rapidly and selectively decompose NHeGly and NDELA to mitigate nitrosamine accumulation in MEA. PMID:24730662

  5. Excited electronic state decomposition of furazan based energetic materials: 3,3'-diamino-4,4'-azoxyfurazan and its model systems, diaminofurazan and furazan

    NASA Astrophysics Data System (ADS)

    Guo, Y. Q.; Bhattacharya, A.; Bernstein, E. R.

    2008-01-01

    We report the first experimental and theoretical study of gas phase excited electronic state decomposition of a furazan based, high nitrogen content energetic material, 3,3'-diamino-4,4'-azoxyfurazan (DAAF), and its model systems, diaminofurazan (DAF) and furazan (C2H2N2O). DAAF has received major attention as an insensitive high energy explosive; however, the mechanism and dynamics of the decomposition of this material are not clear yet. In order to understand the initial decomposition mechanism of DAAF and those of its model systems, nanosecond energy resolved and femtosecond time resolved spectroscopies and complete active space self-consistent field (CASSCF) calculations have been employed to investigate the excited electronic state decomposition of these materials. The NO molecule is observed as an initial decomposition product from DAAF and its model systems at three UV excitation wavelengths (226, 236, and 248nm) with a pulse duration of 8ns. Energies of the three excitation wavelengths coincide with the (0-0), (0-1), and (0-2) vibronic bands of the NO A∑+2←X∏2 electronic transition, respectively. A unique excitation wavelength independent dissociation channel is observed for DAAF, which generates the NO product with a rotationally cold (20K ) and a vibrationally hot (1265K) distribution. On the contrary, excitation wavelength dependent dissociation channels are observed for the model systems, which generate the NO product with both rotationally cold and hot distributions depending on the excitation wavelengths. Potential energy surface calculations at the CASSCF level of theory illustrates that two conical intersections between the excited and ground electronic states are involved in two different excitation wavelength dependent dissociation channels for the model systems. Femtosecond pump-probe experiments at 226nm reveal that the NO molecule is still the main observed decomposition product from the materials of interest and that the formation

  6. Excited electronic state decomposition of furazan based energetic materials: 3,3'-diamino-4,4'-azoxyfurazan and its model systems, diaminofurazan and furazan.

    PubMed

    Guo, Y Q; Bhattacharya, A; Bernstein, E R

    2008-01-21

    We report the first experimental and theoretical study of gas phase excited electronic state decomposition of a furazan based, high nitrogen content energetic material, 3,3'-diamino-4,4'-azoxyfurazan (DAAF), and its model systems, diaminofurazan (DAF) and furazan (C2H2N2O). DAAF has received major attention as an insensitive high energy explosive; however, the mechanism and dynamics of the decomposition of this material are not clear yet. In order to understand the initial decomposition mechanism of DAAF and those of its model systems, nanosecond energy resolved and femtosecond time resolved spectroscopies and complete active space self-consistent field (CASSCF) calculations have been employed to investigate the excited electronic state decomposition of these materials. The NO molecule is observed as an initial decomposition product from DAAF and its model systems at three UV excitation wavelengths (226, 236, and 248 nm) with a pulse duration of 8 ns. Energies of the three excitation wavelengths coincide with the (0-0), (0-1), and (0-2) vibronic bands of the NO A 2Sigma+<--X 2Pi electronic transition, respectively. A unique excitation wavelength independent dissociation channel is observed for DAAF, which generates the NO product with a rotationally cold (20 K) and a vibrationally hot (1265 K) distribution. On the contrary, excitation wavelength dependent dissociation channels are observed for the model systems, which generate the NO product with both rotationally cold and hot distributions depending on the excitation wavelengths. Potential energy surface calculations at the CASSCF level of theory illustrates that two conical intersections between the excited and ground electronic states are involved in two different excitation wavelength dependent dissociation channels for the model systems. Femtosecond pump-probe experiments at 226 nm reveal that the NO molecule is still the main observed decomposition product from the materials of interest and that the formation

  7. Fusion of remote sensing images based on pyramid decomposition with Baldwinian Clonal Selection Optimization

    NASA Astrophysics Data System (ADS)

    Jin, Haiyan; Xing, Bei; Wang, Lei; Wang, Yanyan

    2015-11-01

    In this paper, we put forward a novel fusion method for remote sensing images based on the contrast pyramid (CP) using the Baldwinian Clonal Selection Algorithm (BCSA), referred to as CPBCSA. Compared with classical methods based on the transform domain, the method proposed in this paper adopts an improved heuristic evolutionary algorithm, wherein the clonal selection algorithm includes Baldwinian learning. In the process of image fusion, BCSA automatically adjusts the fusion coefficients of different sub-bands decomposed by CP according to the value of the fitness function. BCSA also adaptively controls the optimal search direction of the coefficients and accelerates the convergence rate of the algorithm. Finally, the fusion images are obtained via weighted integration of the optimal fusion coefficients and CP reconstruction. Our experiments show that the proposed method outperforms existing methods in terms of both visual effect and objective evaluation criteria, and the fused images are more suitable for human visual or machine perception.

  8. Exploring transient transfer entropy based on a group-wise ICA decomposition of EEG data.

    PubMed

    Vakorin, Vasily A; Kovacevic, Natasa; McIntosh, Anthony R

    2010-01-15

    This paper presents a data-driven pipeline for studying asymmetries in mutual interdependencies between distinct components of EEG signal. Due to volume conductance, estimating coherence between scalp electrodes may lead to spurious results. A group-based independent component analysis (ICA), which is conducted across all subjects and conditions simultaneously, is an alternative representation of the EEG measurements. Within this approach, the extracted components are independent in a global sense while short-lived or transient interdependencies may still be present between the components. In this paper, functional roles of the ICA components are specified through a partial least squares (PLS) analysis of task effects within the time course of the derived components. Functional integration is estimated within the information-theoretic approach using transfer entropy analysis based on asymmetries in mutual interdependencies of reconstructed phase dynamics. A secondary PLS analysis is performed to assess robust task-specific changes in transfer entropy estimates between functionally specific components. PMID:19698792

  9. Directional Dependence of Hydrogen Bonds: a Density-based Energy Decomposition Analysis and Its Implications on Force Field Development

    PubMed Central

    Lu, Zhenyu; Zhou, Nengjie; Wu, Qin; Zhang, Yingkai

    2011-01-01

    One well-known shortcoming of widely-used biomolecular force fields is the description of the directional dependence of hydrogen bonding (HB). Here we aim to better understand the origin of this difficulty and thus provide some guidance for further force field development. Our theoretical approaches center on a novel density-based energy decomposition analysis (DEDA) method [J. Chem. Phys., 131, 164112 (2009)], in which the frozen density energy is variationally determined through constrained search. This unique and most significant feature of DEDA enables us to find that the frozen density interaction term is the key factor in determining the HB orientation, while the sum of polarization and charge-transfer components shows very little HB directional dependence. This new insight suggests that the difficulty for current non-polarizable force fields to describe the HB directional dependence is not due to the lack of explicit polarization or charge-transfer terms. Using the DEDA results as reference, we further demonstrate that the main failure coming from the atomic point charge model can be overcome largely by introducing extra charge sites or higher order multipole moments. Among all the electrostatic models explored, the smeared charge distributed multipole model (up to quadrupole), which also takes account of charge penetration effects, gives the best agreement with the corresponding DEDA results. Meanwhile, our results indicate that the van der Waals interaction term needs to be further improved to better model directional hydrogen bonding. PMID:22267958

  10. Multi-fault diagnosis for rolling element bearings based on ensemble empirical mode decomposition and optimized support vector machines

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoyuan; Zhou, Jianzhong

    2013-12-01

    This study presents a novel procedure based on ensemble empirical mode decomposition (EEMD) and optimized support vector machine (SVM) for multi-fault diagnosis of rolling element bearings. The vibration signal is adaptively decomposed into a number of intrinsic mode functions (IMFs) by EEMD. Two types of features, the EEMD energy entropy and singular values of the matrix whose rows are IMFs, are extracted. EEMD energy entropy is used to specify whether the bearing has faults or not. If the bearing has faults, singular values are input to multi-class SVM optimized by inter-cluster distance in the feature space (ICDSVM) to specify the fault type. The proposed method was tested on a system with an electric motor which has two rolling bearings with 8 normal working conditions and 48 fault working conditions. Five groups of experiments were done to evaluate the effectiveness of the proposed method. The results show that the proposed method outperforms other methods both mentioned in this paper and published in other literatures.

  11. A hybrid fault diagnosis method based on second generation wavelet de-noising and local mean decomposition for rotating machinery.

    PubMed

    Liu, Zhiwen; He, Zhengjia; Guo, Wei; Tang, Zhangchun

    2016-03-01

    In order to extract fault features of large-scale power equipment from strong background noise, a hybrid fault diagnosis method based on the second generation wavelet de-noising (SGWD) and the local mean decomposition (LMD) is proposed in this paper. In this method, a de-noising algorithm of second generation wavelet transform (SGWT) using neighboring coefficients was employed as the pretreatment to remove noise in rotating machinery vibration signals by virtue of its good effect in enhancing the signal-noise ratio (SNR). Then, the LMD method is used to decompose the de-noised signals into several product functions (PFs). The PF corresponding to the faulty feature signal is selected according to the correlation coefficients criterion. Finally, the frequency spectrum is analyzed by applying the FFT to the selected PF. The proposed method is applied to analyze the vibration signals collected from an experimental gearbox and a real locomotive rolling bearing. The results demonstrate that the proposed method has better performances such as high SNR and fast convergence speed than the normal LMD method. PMID:26753616

  12. Low-rank approximation based non-negative multi-way array decomposition on event-related potentials.

    PubMed

    Cong, Fengyu; Zhou, Guoxu; Astikainen, Piia; Zhao, Qibin; Wu, Qiang; Nandi, Asoke K; Hietanen, Jari K; Ristaniemi, Tapani; Cichocki, Andrzej

    2014-12-01

    Non-negative tensor factorization (NTF) has been successfully applied to analyze event-related potentials (ERPs), and shown superiority in terms of capturing multi-domain features. However, the time-frequency representation of ERPs by higher-order tensors are usually large-scale, which prevents the popularity of most tensor factorization algorithms. To overcome this issue, we introduce a non-negative canonical polyadic decomposition (NCPD) based on low-rank approximation (LRA) and hierarchical alternating least square (HALS) techniques. We applied NCPD (LRAHALS and benchmark HALS) and CPD to extract multi-domain features of a visual ERP. The features and components extracted by LRAHALS NCPD and HALS NCPD were very similar, but LRAHALS NCPD was 70 times faster than HALS NCPD. Moreover, the desired multi-domain feature of the ERP by NCPD showed a significant group difference (control versus depressed participants) and a difference in emotion processing (fearful versus happy faces). This was more satisfactory than that by CPD, which revealed only a group difference. PMID:25164246

  13. A low-cost polysilicon process based on the synthesis and decomposition of dichlorosilane

    NASA Technical Reports Server (NTRS)

    Mccormick, J. R.; Plahutnik, F.; Sawyer, D.; Arvidson, A.; Goldfarb, S.

    1982-01-01

    Major process steps of a dichlorosilane based chemical vapor deposition (CVD) process for the production of polycrystalline silicon have been evaluated. While an economic analysis of the process indicates that it is not capable of meeting JPL/DOE price objectives ($14.00/kg in 1980 dollars), product price in the $19.00/kg to $25.00/kg range may be achieved. Product quality has been evaluated and ascertained to be comparable to semiconductor-grade polycrystalline silicon. Solar cells fabricated from the material are also equivalent to those fabricated from semiconductor-grade polycrystalline silicon.

  14. A low-cost polysilicon process based on the synthesis and decomposition of dichlorosilane

    SciTech Connect

    McCormick, J.R.; Arvidson, A.; Goldfarb, S.; Plahutnik, F.; Sayer, D.

    1982-09-01

    Major process steps of a dichlorosilane based chemical vapor deposition (CVD) process for the production of polycrystalline silicon have been evaluated. While an economic analysis of the process indicates that it is not capable of meeting JPL/DOE price objectives ($14.00/kg in 1980 dollars), product price in the $19.00/kg to $25.00/kg range may be achieved. Product quality has been evaluated and ascertained to be comparable to semiconductor-grade polycrystalline silicon. Solar cells fabricated from the material are also equivalent to those fabricated from semiconductor-grade polycrystalline silicon.

  15. Gabor-wavelet decomposition and integrated PCA-FLD method for texture based defect classification

    NASA Astrophysics Data System (ADS)

    Cheng, Xuemei; Chen, Yud-Ren; Yang, Tao; Chen, Xin

    2005-11-01

    In many hyperspectral applications, it is desirable to extract the texture features for pattern classification. Texture refers to replications, symmetry of certain patterns. In a set of hyperspectral images, the differences of image textures often imply changes in the physical and chemical properties on or underneath the surface. In this paper, we utilize Gabor wavelet based texture analysis method for textural pattern extraction, and combined with integrated PCA-FLD method for hyperspectral band selection in the application of classifying chilling damaged cucumbers from normal ones. The classification performances are compared and analyzed.

  16. A 16-Channel Nonparametric Spike Detection ASIC Based on EC-PC Decomposition.

    PubMed

    Wu, Tong; Xu, Jian; Lian, Yong; Khalili, Azam; Rastegarnia, Amir; Guan, Cuntai; Yang, Zhi

    2016-02-01

    In extracellular neural recording experiments, detecting neural spikes is an important step for reliable information decoding. A successful implementation in integrated circuits can achieve substantial data volume reduction, potentially enabling a wireless operation and closed-loop system. In this paper, we report a 16-channel neural spike detection chip based on a customized spike detection method named as exponential component-polynomial component (EC-PC) algorithm. This algorithm features a reliable prediction of spikes by applying a probability threshold. The chip takes raw data as input and outputs three data streams simultaneously: field potentials, band-pass filtered neural data, and spiking probability maps. The algorithm parameters are on-chip configured automatically based on input data, which avoids manual parameter tuning. The chip has been tested with both in vivo experiments for functional verification and bench-top experiments for quantitative performance assessment. The system has a total power consumption of 1.36 mW and occupies an area of 6.71 mm (2) for 16 channels. When tested on synthesized datasets with spikes and noise segments extracted from in vivo preparations and scaled according to required precisions, the chip outperforms other detectors. A credit card sized prototype board is developed to provide power and data management through a USB port. PMID:25769170

  17. Spatially and temporally continuous LAI datasets based on the mixed pixel decomposition method.

    PubMed

    Zhao, Jianjun; Wang, Yanying; Zhang, Hongyan; Zhang, Zhengxiang; Guo, Xiaoyi; Yu, Shan; Du, Wala

    2016-01-01

    The leaf area index (LAI) is a key biophysical parameter that determines the state of plant growth. A global LAI has been routinely produced by the Moderate Resolution Imaging Spectro-radiometer (MODIS) and Advanced Very High Resolution Radiometer (AVHRR). However, the MODIS and AVHRR LAI products cannot be synchronized with the same spatial and temporal resolution. The LAI features are not discernible when a global LAI product is implemented at the regional scale because it has low resolution and different land cover types. To obtain high spatial and temporal resolution of LAI products, an empirical model based on the pixel scale was developed. The approach to generate a long (multi-decade) time series of a 1-km spatial resolution LAI normally integrates both AVHRR and MODIS datasets for different land cover types. In this paper, a regression-based model for generating a vegetation LAI was developed using the AVHRR Global Inventory Modelling and Mapping Studies Normalized Difference Vegetation Index (NDVI), MODIS LAI and land cover as input data; the model was evaluated by using relevant data from the same period data from 2000 to 2006. The results of this method show a good consistency in LAI values retrieved from the AVHRR NDVI and MODIS LAI. This simple method has no specific-limited data requirements and can provide improved spatial and temporal resolution in a region without ground data. PMID:27186480

  18. Dynamic Regulatory Network Reconstruction for Alzheimer's Disease Based on Matrix Decomposition Techniques

    PubMed Central

    Mou, Xiaoyang; Zhi, Xing; Zhang, Xin; Yang, Yang

    2014-01-01

    Alzheimer's disease (AD) is the most common form of dementia and leads to irreversible neurodegenerative damage of the brain. Finding the dynamic responses of genes, signaling proteins, transcription factor (TF) activities, and regulatory networks of the progressively deteriorative progress of AD would represent a significant advance in discovering the pathogenesis of AD. However, the high throughput technologies of measuring TF activities are not yet available on a genome-wide scale. In this study, based on DNA microarray gene expression data and a priori information of TFs, network component analysis (NCA) algorithm is applied to determining the TF activities and regulatory influences on TGs of incipient, moderate, and severe AD. Based on that, the dynamical gene regulatory networks of the deteriorative courses of AD were reconstructed. To select significant genes which are differentially expressed in different courses of AD, independent component analysis (ICA), which is better than the traditional clustering methods and can successfully group one gene in different meaningful biological processes, was used. The molecular biological analysis showed that the changes of TF activities and interactions of signaling proteins in mitosis, cell cycle, immune response, and inflammation play an important role in the deterioration of AD. PMID:25024739

  19. An energy decomposition analysis for second-order Møller–Plesset perturbation theory based on absolutely localized molecular orbitals

    SciTech Connect

    Thirman, Jonathan Head-Gordon, Martin

    2015-08-28

    An energy decomposition analysis (EDA) of intermolecular interactions is proposed for second-order Møller–Plesset perturbation theory (MP2) based on absolutely localized molecular orbitals (ALMOs), as an extension to a previous ALMO-based EDA for self-consistent field methods. It decomposes the canonical MP2 binding energy by dividing the double excitations that contribute to the MP2 wave function into classes based on how the excitations involve different molecules. The MP2 contribution to the binding energy is decomposed into four components: frozen interaction, polarization, charge transfer, and dispersion. Charge transfer is defined by excitations that change the number of electrons on a molecule, dispersion by intermolecular excitations that do not transfer charge, and polarization and frozen interactions by intra-molecular excitations. The final two are separated by evaluations of the frozen, isolated wave functions in the presence of the other molecules, with adjustments for orbital response. Unlike previous EDAs for electron correlation methods, this one includes components for the electrostatics, which is vital as adjustment to the electrostatic behavior of the system is in some cases the dominant effect of the treatment of electron correlation. The proposed EDA is then applied to a variety of different systems to demonstrate that all proposed components behave correctly. This includes systems with one molecule and an external electric perturbation to test the separation between polarization and frozen interactions and various bimolecular systems in the equilibrium range and beyond to test the rest of the EDA. We find that it performs well on these tests. We then apply the EDA to a halogen bonded system to investigate the nature of the halogen bond.

  20. Recursive anisotropic 2-D Gaussian filtering based on a triple-axis decomposition.

    PubMed

    Lam, Stanley Yiu Man; Shi, Bertram E

    2007-07-01

    We describe a recursive algorithm for anisotropic 2-D Gaussian filtering, based on separating the filter into the cascade of three, rather two, 1-D filters. The filters operate along axes obtained by integer horizontal and/or vertical pixel shifts. This eliminates interpolation, which removes spatial inhomogeneity in the filter, and produces more elliptically shaped kernels. It also results in a more regular filter structure, which facilitates implementation in DSP chips. Finally, it improves matching between filters with the same eccentricity and width, but different orientations. Our analysis and experiments indicate that the computational complexity is similar to an algorithm that operates along two axes (<11 ms for a 512 x 512 image using a 3.2-GHz Pentium 4 PC). On the other hand, given a limited set of basis filter axes, there is an orientation dependent lower bound on the achievable aspect ratios. PMID:17605390

  1. Stable Gait Generation of a Quasi-Passive Biped Walking Robot Based on Mode Decomposition

    NASA Astrophysics Data System (ADS)

    Matsumoto, Itaru

    A passive walker is a robot which can walk down a shallow slope without active control or energy input, being powered only by gravity. This paper proposes a control law that can stabilize the gait of a quasi-passive walker by manipulating torque at the hip joint. The motion of the quasi-passive walker is divided into two modes: one is a sinusoidal mode and the other a hyperbolic sinusoidal mode. The controller is designed with a servo system which forces the motion of the sinusoidal mode to track the reference input signal obtained from the phase-plane trajectory of the hyperbolic sinusoidal mode. The generated gait is quite natural, because the input of the servo system is made based on the system dynamics. The results of simulations have demonstrated the effectiveness of the proposed control law.

  2. A tensor-based population value decomposition to explain rectal toxicity after prostate cancer radiotherapy

    PubMed Central

    Ospina, Juan David; Commandeur, Frédéric; Ríos, Richard; Dréan, Gaël; Correa, Juan Carlos; Simon, Antoine; Haigron, Pascal; De Crevoisier, Renaud; Acosta, Oscar

    2013-01-01

    In prostate cancer radiotherapy the association between the dose distribution and the occurrence of undesirable side-effects is yet to be revealed. In this work a method to perform population analysis by comparing the dose distributions is proposed. The method is a tensor-based approach that generalises an existing method for 2D images and allows for the highlighting of over irradiated zones correlated with rectal bleeding after prostate cancer radiotherapy. Thus, the aim is to contribute to the elucidation of the dose patterns correlated with rectal toxicity. The method was applied to a cohort of 63 patients and it was able to build up a dose pattern characterizing the difference between patients presenting rectal bleeding after prostate cancer radiotherapy and those who did not. PMID:24579164

  3. Effect of iron ion on doxycycline photocatalytic and Fenton-based autocatatalytic decomposition.

    PubMed

    Bolobajev, Juri; Trapido, Marina; Goi, Anna

    2016-06-01

    Doxycycline plays a key role in Fe(III)-to-Fe(II) redox cycling and therefore in controlling the overall reaction rate of the Fenton-based process (H2O2/Fe(III)). This highlights the autocatalytic profile of doxycycline degradation. Ferric iron reduction in the presence of doxycycline relied on doxycycline-to-Fe(III) complex formation with an ensuing reductive release of Fe(II). The lower ratio of OH-to-contaminant in an initial H2O2/Fe(III) oxidation step than in that of classical Fenton (H2O2/Fe(II)) decreased the doxycycline degradation rate. The quantum yield of doxycycline in direct UV-C photolysis was 3.1 × 10(-3) M E(-1). In spite of doxycycline-Fe(III) complexes could produce the adverse effect on the doxycycline degradation in the UV/Fe(III) system some acceleration of the rate was observed upon irradiation of the Fe(III)-hydroxy complex. Acidic reaction media (pH 3.0) and the molar ratio of DC/Fe(III) = 2/1 favored the complex formation. Doxycycline close degradation rates and complete mineralization achieved for 120 min (Table 1) with both UV/H2O2 and UV/H2O2/Fe(III) indicated the unsubstantial role of the reduction of Fe(III) to Fe(II) in UV/H2O2/Fe(III) system efficacy. Thus, factors such as doxycycline's ability to form complexes with ferric iron and the ability of complexes to participate in a reductive pathway should be considered at a technological level in process optimization, with chemistry based on iron ion catalysis to enhance the doxycycline oxidative pathway. PMID:27016818

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

    NASA Astrophysics Data System (ADS)

    Zheng, Xiang; Yang, Chao; Cai, Xiao-Chuan; Keyes, David

    2015-03-01

    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 accuracy (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.

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

    SciTech Connect

    Zheng, Xiang; Yang, Chao; Cai, Xiao-Chuan; Keyes, David

    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 accuracy (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.

  6. Synthesis and characterization of self-catalyzed poly(ortho-esters) based on decanediol and decanediol-lactate.

    PubMed

    Schwach-Abdellaoui, K; Heller, J; Gurny, R

    1999-01-01

    The synthesis of poly(ortho-esters) (POEs) containing lactic acid dimers in the polymer backbone for possible use in controlled drug release applications is described. These autocatalyzed POEs are prepared by the acid catalyzed condensation of 3,9-diethylidene-2,4,8,10-tetraoxaspiro(5,5)undecane with diols to produce linear polymers. The diols used were a mixture of decanediol-lactate and decanediol in various molar ratio to produce polymers with different lactic acid contents. Polymer structures were confirmed by 13C NMR, 1H NMR, and FT-IR and physico-chemical properties, such as molecular weights, glass transition temperatures and viscoelastic behavior, were also determined. PMID:10189105

  7. “Nok”. A Phytosterol-Based Amphiphile Enabling Transition Metal-Catalyzed Couplings in Water at Room Temperature

    PubMed Central

    Klumphu, Piyatida

    2014-01-01

    The third generation designer amphiphile/surfactant, “Nok” (i.e., SPGS-550-M; β-sitosteryl polyoxoethanylsuccinate), soon to be commercially available from Aldrich, can be prepared in two steps using an abundant plant feedstock, β-sitosterol, together with succinic anhydride and PEG-550-M. Upon dissolution in water it forms nanomicelles that serve as nanoreactors, which can be characterized by both cryo-TEM and dynamic light scattering analyses. Several transition metal-catalyzed reactions have been run under micellar conditions to evaluate this surfactant relative to results obtained in nanoparticles composed of TPGS-750-M (i.e., a second generation surfactant). It is shown that Nok usually affords yields that are, in general, as good or better than those typically obtained with TPGS-750-M, and yet is far less costly. PMID:24447127

  8. Disentangling the Spatio-Environmental Drivers of Human Settlement: An Eigenvector Based Variation Decomposition

    PubMed Central

    Vandam, Ralf; Kaptijn, Eva; Vanschoenwinkel, Bram

    2013-01-01

    The relative importance of deterministic and stochastic processes driving patterns of human settlement remains controversial. A main reason for this is that disentangling the drivers of distributions and geographic clustering at different spatial scales is not straightforward and powerful analytical toolboxes able to deal with this type of data are largely deficient. Here we use a multivariate statistical framework originally developed in community ecology, to infer the relative importance of spatial and environmental drivers of human settlement. Using Moran’s eigenvector maps and a dataset of spatial variation in a set of relevant environmental variables we applied a variation partitioning procedure based on redundancy analysis models to assess the relative importance of spatial and environmental processes explaining settlement patterns. We applied this method on an archaeological dataset covering a 15 km2 area in SW Turkey spanning a time period of 8000 years from the Late Neolithic/Early Chalcolithic up to the Byzantine period. Variation partitioning revealed both significant unique and commonly explained effects of environmental and spatial variables. Land cover and water availability were the dominant environmental determinants of human settlement throughout the study period, supporting the theory of the presence of farming communities. Spatial clustering was mainly restricted to small spatial scales. Significant spatial clustering independent of environmental gradients was also detected which can be indicative of expansion into unsuitable areas or an unexpected absence in suitable areas which could be caused by dispersal limitation. Integrating historic settlement patterns as additional predictor variables resulted in more explained variation reflecting temporal autocorrelation in settlement locations. PMID:23844076

  9. Towards a physical understanding of stratospheric cooling under global warming through a process-based decomposition method

    NASA Astrophysics Data System (ADS)

    Yang, Yang; Ren, R.-C.; Cai, Ming

    2016-02-01

    The stratosphere has been cooling under global warming, the causes of which are not yet well understood. This study applied a process-based decomposition method (CFRAM; Coupled Surface-Atmosphere Climate Feedback Response Analysis Method) to the simulation results of a Coupled Model Intercomparison Project, phase 5 (CMIP5) model (CCSM4; Community Climate System Model, version 4), to demonstrate the responsible radiative and non-radiative processes involved in the stratospheric cooling. By focusing on the long-term stratospheric temperature changes between the "historical run" and the 8.5 W m-2 Representative Concentration Pathway (RCP8.5) scenario, this study demonstrates that the changes of radiative radiation due to CO2, ozone and water vapor are the main divers of stratospheric cooling in both winter and summer. They contribute to the cooling changes by reducing the net radiative energy (mainly downward radiation) received by the stratospheric layer. In terms of the global average, their contributions are around -5, -1.5, and -1 K, respectively. However, the observed stratospheric cooling is much weaker than the cooling by radiative processes. It is because changes in atmospheric dynamic processes act to strongly mitigate the radiative cooling by yielding a roughly 4 K warming on the global average base. In particular, the much stronger/weaker dynamic warming in the northern/southern winter extratropics is associated with an increase of the planetary-wave activity in the northern winter, but a slight decrease in the southern winter hemisphere, under global warming. More importantly, although radiative processes dominate the stratospheric cooling, the spatial patterns are largely determined by the non-radiative effects of dynamic processes.

  10. Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.

    PubMed

    Wu, Hao; Garcia, Jeannette M; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R; Hoveyda, Amir H

    2015-08-26

    Broadly applicable enantioselective C-B and C-Si bond-forming processes catalyzed by an N-heterocyclic carbene (NHC) were recently introduced; these boryl and silyl conjugate addition reactions (BCA and SCA, respectively), which proceed without the need for a transition-metal complex, represent reaction pathways that are distinct from those facilitated by transition-metal-containing species (e.g., Cu, Ni, Pt, Pd, or Rh based). The Lewis-base-catalyzed (NHC) transformations are valuable to chemical synthesis, as they can generate high enantioselectivities and possess unique chemoselectivity profiles. Here, the results of investigations that elucidate the principal features of the NHC-catalyzed BCA and SCA processes are detailed. Spectroscopic evidence is provided illustrating why the presence of excess base and MeOH or H2O is required for efficient and enantioselective boryl and silyl addition reactions. It is demonstrated that the proton sources influence the efficiency and/or enantioselectivity of NHC-catalyzed enantioselective transformations in several ways. The positive, and at times adverse, impact of water (biphasic conditions) on catalytic enantioselective silyl addition reactions is analyzed. It is shown that a proton source can facilitate nonenantioselective background reactions and NHC decomposition, requiring the catalyst to surpass such complications. Stereochemical models are presented that account for the identity of the observed major enantiomers, providing a rationale for the differences in selectivity profiles of BCA and SCA processes. PMID:26263513

  11. Base-catalyzed intramolecular hydroamination of cyclohexa-2,5-dienes: insights into the mechanism through DFT calculations and application to the total synthesis of epi-elwesine.

    PubMed

    Rousseau, Géraldine; Lebeuf, Raphaël; Schenk, Kurt; Castet, Frédéric; Robert, Frédéric; Landais, Yannick

    2014-11-01

    The base-catalyzed intramolecular hydroamination of 1-ethylaminocyclohexa-2,5-dienes is described. The transformation proceeds through isomerization of the cyclohexa-1,4-dienyl fragment into the corresponding conjugated 1,3-diene prior to the hydroamination step. Attaching a chiral glycinol ether auxiliary on the amino group allows the protonation to occur with complete diastereocontrol. The resulting lithium amide then adds onto the 1,3-dienyl moiety, affording the desired fused pyrrolidine ring along with the corresponding lithium allylic anion. Protonation of the latter then proceeds with high regiocontrol to favor the resulting allylic amines. In contrast, when the reaction was performed on primary amines, fused pyrrolidines bearing a homoallylic amino group were obtained. The stereochemical course of the process and determination of the reaction pathways were established based on calculations performed at the DFT level. Finally, application of the methodology to the enantioselective synthesis of (+)-epi-elwesine, a crinane alkaloid, is described. PMID:25223607

  12. Rapid Access to 2,2'-Bithiazole-Based Copolymers via Sequential Palladium-Catalyzed C-H/C-X and C-H/C-H Coupling Reactions.

    PubMed

    Guo, Qiang; Jiang, Ruyong; Wu, Di; You, Jingsong

    2016-05-01

    A rapid access to 2,2'-bithiazole-based copolymers has been developed on the basis of the sequential palladium-catalyzed CH/CX and CH/CH coupling reactions. To assemble a "copolymer" through homopolymerization, a type of symmetric A-B-A-type building block is designed as the monomer and prepared via the regioselective C5H arylation of thiazole. A PdCl2 /CuCl-cocatalyzed oxidative CH/CH homopolymerization has been established to afford the 2,2'-bithiazole-based copolymers with high Mn (up to 69400). The current protocol features atom- and step-economy and exhibits a potential in the highly efficient construction of conjugated copolymers. PMID:27000723

  13. TU-F-18A-04: Use of An Image-Based Material-Decomposition Algorithm for Multi-Energy CT to Determine Basis Material Densities

    SciTech Connect

    Li, Z; Leng, S; Yu, L; McCollough, C

    2014-06-15

    Purpose: Published methods for image-based material decomposition with multi-energy CT images have required the assumption of volume conservation or accurate knowledge of the x-ray spectra and detector response. The purpose of this work was to develop an image-based material-decomposition algorithm that can overcome these limitations. Methods: An image-based material decomposition algorithm was developed that requires only mass conservation (rather than volume conservation). With this method, using multi-energy CT measurements made with n=4 energy bins, the mass density of each basis material and of the mixture can be determined without knowledge of the tube spectra and detector response. A digital phantom containing 12 samples of mixtures from water, calcium, iron, and iodine was used in the simulation (Siemens DRASIM). The calibration was performed by using pure materials at each energy bin. The accuracy of the technique was evaluated in noise-free and noisy data under the assumption of an ideal photon-counting detector. Results: Basis material densities can be estimated accurately by either theoretic calculation or calibration with known pure materials. The calibration approach requires no prior information about the spectra and detector response. Regression analysis of theoretical values versus estimated values results in excellent agreement for both noise-free and noisy data. For the calibration approach, the R-square values are 0.9960+/−0.0025 and 0.9476+/−0.0363 for noise-free and noisy data, respectively. Conclusion: From multi-energy CT images with n=4 energy bins, the developed image-based material decomposition method accurately estimated 4 basis material density (3 without k-edge and 1 with in the range of the simulated energy bins) even without any prior information about spectra and detector response. This method is applicable to mixtures of solutions and dissolvable materials, where volume conservation assumptions do not apply. CHM receives

  14. A hybrid model for PM₂.₅ forecasting based on ensemble empirical mode decomposition and a general regression neural network.

    PubMed

    Zhou, Qingping; Jiang, Haiyan; Wang, Jianzhou; Zhou, Jianling

    2014-10-15

    Exposure to high concentrations of fine particulate matter (PM₂.₅) can cause serious health problems because PM₂.₅ contains microscopic solid or liquid droplets that are sufficiently small to be ingested deep into human lungs. Thus, daily prediction of PM₂.₅ levels is notably important for regulatory plans that inform the public and restrict social activities in advance when harmful episodes are foreseen. A hybrid EEMD-GRNN (ensemble empirical mode decomposition-general regression neural network) model based on data preprocessing and analysis is firstly proposed in this paper for one-day-ahead prediction of PM₂.₅ concentrations. The EEMD part is utilized to decompose original PM₂.₅ data into several intrinsic mode functions (IMFs), while the GRNN part is used for the prediction of each IMF. The hybrid EEMD-GRNN model is trained using input variables obtained from principal component regression (PCR) model to remove redundancy. These input variables accurately and succinctly reflect the relationships between PM₂.₅ and both air quality and meteorological data. The model is trained with data from January 1 to November 1, 2013 and is validated with data from November 2 to November 21, 2013 in Xi'an Province, China. The experimental results show that the developed hybrid EEMD-GRNN model outperforms a single GRNN model without EEMD, a multiple linear regression (MLR) model, a PCR model, and a traditional autoregressive integrated moving average (ARIMA) model. The hybrid model with fast and accurate results can be used to develop rapid air quality warning systems. PMID:25089688

  15. Dynamic relationships between microbial biomass, respiration, inorganic nutrients and enzyme activities: informing enzyme-based decomposition models

    PubMed Central

    Moorhead, D. L.; Rinkes, Z. L.; Sinsabaugh, R. L.; Weintraub, M. N.

    2013-01-01

    We re-examined data from a recent litter decay study to determine if additional insights could be gained to inform decomposition modeling. Rinkes et al. (2013) conducted 14-day laboratory incubations of sugar maple (Acer saccharum) or white oak (Quercus alba) leaves, mixed with sand (0.4% organic C content) or loam (4.1% organic C). They measured microbial biomass C, carbon dioxide efflux, soil ammonium, nitrate, and phosphate concentrations, and β-glucosidase (BG), β-N-acetyl-glucosaminidase (NAG), and acid phosphatase (AP) activities on days 1, 3, and 14. Analyses of relationships among variables yielded different insights than original analyses of individual variables. For example, although respiration rates per g soil were higher for loam than sand, rates per g soil C were actually higher for sand than loam, and rates per g microbial C showed little difference between treatments. Microbial biomass C peaked on day 3 when biomass-specific activities of enzymes were lowest, suggesting uptake of litter C without extracellular hydrolysis. This result refuted a common model assumption that all enzyme production is constitutive and thus proportional to biomass, and/or indicated that part of litter decay is independent of enzyme activity. The length and angle of vectors defined by ratios of enzyme activities (BG/NAG vs. BG/AP) represent relative microbial investments in C (length), and N and P (angle) acquiring enzymes. Shorter lengths on day 3 suggested low C limitation, whereas greater lengths on day 14 suggested an increase in C limitation with decay. The soils and litter in this study generally had stronger P limitation (angles >45°). Reductions in vector angles to <45° for sand by day 14 suggested a shift to N limitation. These relational variables inform enzyme-based models, and are usually much less ambiguous when obtained from a single study in which measurements were made on the same samples than when extrapolated from separate studies. PMID:23964272

  16. Multicriteria approximation through decomposition

    SciTech Connect

    Burch, C. |; Krumke, S.; Marathe, M.; Phillips, C.; Sundberg, E. |

    1997-12-01

    The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of the technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. The method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) The authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing. (2) They show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

  17. Multicriteria approximation through decomposition

    SciTech Connect

    Burch, C.; Krumke, S.; Marathe, M.; Phillips, C.; Sundberg, E.

    1998-06-01

    The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of their technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. Their method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) the authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing; (2) they also show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

  18. Mode decomposition evolution equations

    PubMed Central

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

    2011-01-01

    Partial differential equation (PDE) based methods have become some of the most powerful tools for exploring the fundamental problems in signal processing, image processing, computer vision, machine vision and artificial intelligence in the past two decades. The advantages of PDE based approaches are that they can be made fully automatic, robust for the analysis of images, videos and high dimensional data. A fundamental question is whether one can use PDEs to perform all the basic tasks in the image processing. If one can devise PDEs to perform full-scale mode decomposition for signals and images, the modes thus generated would be very useful for secondary processing to meet the needs in various types of signal and image processing. Despite of great progress in PDE based image analysis in the past two decades, the basic roles of PDEs in image/signal analysis are only limited to PDE based low-pass filters, and their applications to noise removal, edge detection, segmentation, etc. At present, it is not clear how to construct PDE based methods for full-scale mode decomposition. The above-mentioned limitation of most current PDE based image/signal processing methods is addressed in the proposed work, in which we introduce a family of mode decomposition evolution equations (MoDEEs) for a vast variety of applications. The MoDEEs are constructed as an extension of a PDE based high-pass filter (Europhys. Lett., 59(6): 814, 2002) by using arbitrarily high order PDE based low-pass filters introduced by Wei (IEEE Signal Process. Lett., 6(7): 165, 1999). The use of arbitrarily high order PDEs is essential to the frequency localization in the mode decomposition. Similar to the wavelet transform, the present MoDEEs have a controllable time-frequency localization and allow a perfect reconstruction of the original function. Therefore, the MoDEE operation is also called a PDE transform. However, modes generated from the present approach are in the spatial or time domain and can be

  19. Development of porous alginate-based scaffolds covalently cross-linked through a peroxidase-catalyzed reaction.

    PubMed

    Sakai, Shinji; Kawakami, Koei

    2011-01-01

    Porous scaffolds are important in tissue engineering. We developed porous scaffolds from the hydrogels of an alginate derivative bearing phenolic hydroxyl groups. The hydrogels were prepared using horseradish peroxidase (HRP) to catalyze the cross-linking between the phenolic hydroxyl groups. A porous structure with a pore size of approx. 200 μm was developed through simultaneous water-extraction and ionic cross-linking by calcium ions by soaking frozen hydrogels in the mixture of ethanol and CaCl2 solution at -20°C. Due to the existence of the covalent cross-links developed through the enzymatic reaction, the porous form had a higher stability from a loss of cross-linked calcium ions than that obtained from non-modified sodium alginate (Na-Alg). The porous specimen developed from the hydrogel obtained with 10 U/ml HRP and 10 mM H2O2 showed about 1.5-times greater repulsion forces than those detected for the porous specimen obtained from Na-Alg toward compressions. No harmful effects of the enzymatically cross-linked specimens were detected on the growth and morphology of the entrapped cells: cells in the enzymatically cross-linked specimens showed almost the same growth profile and morphology with those in the porous specimen obtained from Na-Alg. PMID:21144141

  20. Optimization of the enzyme-catalyzed synthesis of amino acid-based surfactants from palm oil fractions.

    PubMed

    Soo, Ee Lin; Salleh, Abu Bakar; Basri, Mahiran; Zaliha Raja Abdul Rahman, Raja Noor; Kamaruddin, Kamarulzaman

    2003-01-01

    The feasibility of using palm oil fractions as cheap and abundant sources of raw material for the synthesis of amino acid surfactants was investigated. Of a number of enzymes screened, the best results were obtained with the immobilized enzyme, Lipozyme. The effects of temperature, solvent, incubation period, fatty substrate/amino acid molar ratio, enzyme amount, and water removal on the reactions were analyzed and compared to those on reactions with free fatty acids and pure triglycerides as fatty substrates. All reactions were most efficient when carried out at high temperatures (70-80 degrees C) in hexane as a solvent. However, while reactions with free fatty acids proceeded better when a slight excess of the free fatty acids over the amino acids was used, reactions with triglycerides and palm oil fractions were best performed at equimolar ratios. Also, the addition of molecular sieves slightly enhanced reactions with free fatty acids but adversely affected reactions with triglycerides and palm oil fractions. Although reactions with palm oil fractions took longer (6 d) to reach equilibrium compared to reactions with free fatty acids (4 d) and pure triglycerides (4 d), better yields were obtained. Such lipase-catalyzed transacylation of palm oil fractions with amino acids is potentially useful in the production of mixed medium- to long-chain surfactants for specific applications. PMID:16233420

  1. 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.

  2. N-Acylsaccharins: Stable Electrophilic Amide-Based Acyl Transfer Reagents in Pd-Catalyzed Suzuki-Miyaura Coupling via N-C Cleavage.

    PubMed

    Liu, Chengwei; Meng, Guangrong; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal

    2016-09-01

    The development of efficient catalytic methods for N-C bond cleavage in amides remains an important synthetic challenge. The first Pd-catalyzed Suzuki-Miyaura cross-coupling of N-acylsaccharins with boronic acids by selective N-C bond activation is reported. The reaction enables preparation of a variety of functionalized diaryl and alkyl-aryl ketones with broad functional group tolerance and in good to excellent yields. Of general interest, N-acylsaccharins serve as new, highly reactive, bench-stable, economical, amide-based, electrophilic acyl transfer reagents via acyl-metal intermediates. Mechanistic studies strongly support the amide N-C(O) bond twist as the enabling feature of N-acylsaccharins in the N-C bond cleavage. PMID:27513821

  3. 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…

  4. 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)

  5. Ab Initio Path-Integral Calculations of Kinetic and Equilibrium Isotope Effects on Base-Catalyzed RNA Transphosphorylation Models

    PubMed Central

    Wong, Kin-Yiu; Yuqing, Xu; York, Darrin M.

    2014-01-01

    Detailed understandings of the reaction mechanisms of RNA catalysis in various environments can have profound importance for many applications, ranging from the design of new biotechnologies to the unraveling of the evolutionary origin of life. An integral step in the nucleolytic RNA catalysis is self-cleavage of RNA strands by 2′-O-transphosphorylation. Key to elucidating a reaction mechanism is determining the molecular structure and bonding characteristics of transition state. A direct and powerful probe of transition state is measuring isotope effects on biochemical reactions, particularly if we can reproduce isotope effect values from quantum calculations. This paper significantly extends the scope of our previous joint experimental and theoretical work in examining isotope effects on enzymatic and non-enzymatic 2′-O-transphosphorylation reaction models that mimic reactions catalyzed by RNA enzymes (ribozymes), and protein enzymes such as ribonuclease A (RNase A). Native reactions are studied, as well as reactions with thio substitutions representing chemical modifications often used in experiments to probe mechanism. Here, we report and compare results from eight levels of electronic-structure calculations for constructing the potential energy surfaces in kinetic and equilibrium isotope effects (KIE and EIE) computations, including a “gold-standard” coupled-cluster level of theory [CCSD(T)]. In addition to the widely-used Bigeleisen equation for estimating KIE and EIE values, internuclear anharmonicity and quantum tunneling effects were also computed using our recently-developed ab initio path-integral method, i.e., automated integration-free path-integral (AIF-PI) method. The results of this work establish an important set of benchmarks that serve to guide calculations of KIE and EIE for RNA catalysis. PMID:24841935

  6. Singular Value Decomposition-Based Robust Cubature Kalman Filter for AN Integrated Gps/sins Navigation System

    NASA Astrophysics Data System (ADS)

    Zhang, Q.; Meng, X.; Zhang, S.; Wang, Y.

    2014-03-01

    A new nonlinear robust filter is proposed in this paper to deal with the outliers of an integrated GPS/SINS navigation system. The influence of different design parameters for H∞ cubature Kalman filter is analysed. It is found that when the design parameter is smaller, the robustness of the filter is stronger. However, the design parameter is easily out of step with the Riccati equation and the filter is easy to diverge. In this respect, the singular value decomposition algorithm is employed to replace Cholesky decomposition in the robust cubature Kalman filter. On the wider conditions for design parameter, the new filter is more robust. The testing results demonstrate that the proposed filter algorithm is more reliable and effective in dealing the data sets produced by the integrated GPS/SINS system.

  7. Hazardous materials: microbiological decomposition. January 1985-February 1989 (Citations from the Biobusiness data base). Report for January 1985-February 1989

    SciTech Connect

    Not Available

    1989-03-01

    This bibliography contains citations concerning the decomposition of toxic materials by biological means. Bacteria, enzymes, and bioluminescence are among the methods discussed. Bacteria and enzymes that digest toluene, polychlorinated biphenyls (PCBs), selenium wastes, oil shale waste, uranium, oil sludge, and pesticides are discussed. The biodegradation of rubber wastes, and pentachlorophenol are also considered. Flavobacterium and white rot fungus are among the biological agents highlighted. (Contains 71 citations fully indexed and including a title list.)

  8. Joint amplitude and frequency demodulation analysis based on intrinsic time-scale decomposition for planetary gearbox fault diagnosis

    NASA Astrophysics Data System (ADS)

    Feng, Zhipeng; Lin, Xuefeng; Zuo, Ming J.

    2016-05-01

    Planetary gearbox vibration signals feature complex modulations, thus leading to intricate sideband structure and resulting in difficulty in fault characteristic frequency identification. Intrinsic time-scale decomposition has unique merits, such as high adaptability to changes in signals, low computational complexity, good capability to suppress mode mixing and to preserve temporal information of transients, and excellent suitability for mono-component decomposition of complex multi-component signals. In order to address the issue with planetary gearbox fault diagnosis due to the multiple modulation sources, a joint amplitude and frequency demodulation analysis method is proposed, by exploiting the merits of intrinsic time-scale decomposition. The signal is firstly decomposed into a series of mono-component proper rotational components. Then the one with its instantaneous frequency fluctuating around the gear meshing frequency or its harmonics is selected as the sensitive component. Next, Fourier transformation is applied to the instantaneous amplitude and instantaneous frequency of the sensitive component to obtain the amplitude and frequency demodulated spectra respectively. Finally, a planetary gearbox fault is diagnosed by matching the peaks in the amplitude and frequency demodulated spectra with the theoretical gear fault characteristic frequencies. The proposed method is illustrated by a numerical simulated signal, and further validated by lab experimental signals of a planetary gearbox. The localized faults of sun, planet and ring gears are diagnosed, showing the effectiveness of the method.

  9. Correction: Acid-catalyzed carboxylic acid esterification and ester hydrolysis mechanism: acylium ion as a sharing active intermediate via a spontaneous trimolecular reaction based on density functional theory calculation and supported by electrospray ionization-mass spectrometry.

    PubMed

    Shi, Hongchang; Wang, Yilei; Hua, Ruimao

    2015-12-28

    Correction for 'Acid-catalyzed carboxylic acid esterification and ester hydrolysis mechanism: acylium ion as a sharing active intermediate via a spontaneous trimolecular reaction based on density functional theory calculation and supported by electrospray ionization-mass spectrometry' by Hongchang Shi et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c5cp02914g. PMID:26583937

  10. Mechanism and Mitigation of the Decomposition of an Oxorhenium Complex-Based Heterogeneous Catalyst for Perchlorate Reduction in Water.

    PubMed

    Liu, Jinyong; Chen, Xi; Wang, Yin; Strathmann, Timothy J; Werth, Charles J

    2015-11-01

    A biomimetic heterogeneous catalyst combining palladium nanoparticles and an organic ligand-coordinated oxorhenium complex on activated carbon, Re(hoz)2-Pd/C, was previously developed and shown to reduce aqueous perchlorate (ClO4-) with H2 at a rate ∼100 times faster than the first generation ReOx-Pd/C catalyst prepared from perrhenate (ReO4-). However, the immobilized Re(hoz)2 complex was shown to partially decompose and leach into water as ReO4-, leading to an irreversible loss of catalytic activity. In this work, the stability of the immobilized Re(hoz)2 complex is shown to depend on kinetic competition between three processes: (1) ReV(hoz)2 oxidation by ClO4- and its reduction intermediates ClOx-, (2) ReVII(hoz)2 reduction by Pd-activated hydrogen, and (3) hydrolytic ReVII(hoz)2 decomposition. When ReV(hoz)2 oxidation is faster than ReVII(hoz)2 reduction, the ReVII(hoz)2 concentration builds up and leads to hydrolytic decomposition to ReO4- and free hoz ligand. Rapid ReV(hoz)2 oxidation is mainly promoted by highly reactive ClOx- formed from the reduction of ClO4-. To mitigate Re(hoz)2 decomposition and preserve catalytic activity, ruthenium (Ru) and rhodium (Rh) were evaluated as alternative H2 activators to Pd. Rh showed superior activity for reducing the ClO3- intermediate to Cl-, thereby preventing ClOx- buildup and lowering Re complex decomposition in the Re(hoz)2-Rh/C catalyst. In contrast, Ru showed the lowest ClO3- reduction activity and resulted in the most Re(hoz)2 decomposition among the Re(hoz)2-M/C catalysts. This work highlights the importance of using mechanistic insights from kinetic and spectroscopic tests to rationally design water treatment catalysts for enhanced performance and stability. PMID:26422179

  11. 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…

  12. Nested Taylor decomposition in multivariate function decomposition

    NASA Astrophysics Data System (ADS)

    Baykara, N. A.; Gürvit, Ercan

    2014-12-01

    Fluctuationlessness approximation applied to the remainder term of a Taylor decomposition expressed in integral form is already used in many articles. Some forms of multi-point Taylor expansion also are considered in some articles. This work is somehow a combination these where the Taylor decomposition of a function is taken where the remainder is expressed in integral form. Then the integrand is decomposed to Taylor again, not necessarily around the same point as the first decomposition and a second remainder is obtained. After taking into consideration the necessary change of variables and converting the integration limits to the universal [0;1] interval a multiple integration system formed by a multivariate function is formed. Then it is intended to apply the Fluctuationlessness approximation to each of these integrals one by one and get better results as compared with the single node Taylor decomposition on which the Fluctuationlessness is applied.

  13. Initiator-catalyzed self-assembly of duplex-looped DNA hairpin motif based on strand displacement reaction for logic operations and amplified biosensing.

    PubMed

    Bi, Sai; Yue, Shuzhen; Wu, Qiang; Ye, Jiayan

    2016-09-15

    Here we program an initiator-catalyzed self-assembly of duplex-looped DNA hairpin motif based on strand displacement reaction. Due to the recycling of initiator and performance in a cascade manner, this system is versatilely extended to logic operations, including the construction of concatenated logic circuits with a feedback function and a biocomputing keypad-lock security system. Compared with previously reported molecular security systems, the prominent feature of our keypad lock is that it can be spontaneously reset and recycled with no need of any external stimulus and human intervention. Moreover, through integrating with an isothermal amplification technique of rolling circle amplification (RCA), this programming catalytic DNA self-assembly strategy readily achieves sensitive and selective biosensing of initiator. Importantly, a magnetic graphene oxide (MGO) is introduced to remarkably reduced background, which plays an important role in enhancing the signal-to-noise ratio and improving the detection sensitivity. Therefore, the proposed sophisticated DNA strand displacement-based methodology with engineering dynamic functions may find broad applications in the construction of programming DNA nanostructures, amplification biosensing platform, and large-scale DNA circuits. PMID:27132002

  14. The role of residence time in diagnostic models of global carbon storage capacity: model decomposition based on a traceable scheme

    PubMed Central

    Yizhao, Chen; Jianyang, Xia; Zhengguo, Sun; Jianlong, Li; Yiqi, Luo; Chengcheng, Gang; Zhaoqi, Wang

    2015-01-01

    As a key factor that determines carbon storage capacity, residence time (τE) is not well constrained in terrestrial biosphere models. This factor is recognized as an important source of model uncertainty. In this study, to understand how τE influences terrestrial carbon storage prediction in diagnostic models, we introduced a model decomposition scheme in the Boreal Ecosystem Productivity Simulator (BEPS) and then compared it with a prognostic model. The result showed that τE ranged from 32.7 to 158.2 years. The baseline residence time (τ′E) was stable for each biome, ranging from 12 to 53.7 years for forest biomes and 4.2 to 5.3 years for non-forest biomes. The spatiotemporal variations in τE were mainly determined by the environmental scalar (ξ). By comparing models, we found that the BEPS uses a more detailed pool construction but rougher parameterization for carbon allocation and decomposition. With respect to ξ comparison, the global difference in the temperature scalar (ξt) averaged 0.045, whereas the moisture scalar (ξw) had a much larger variation, with an average of 0.312. We propose that further evaluations and improvements in τ′E and ξw predictions are essential to reduce the uncertainties in predicting carbon storage by the BEPS and similar diagnostic models. PMID:26541245

  15. The role of residence time in diagnostic models of global carbon storage capacity: model decomposition based on a traceable scheme.

    PubMed

    Yizhao, Chen; Jianyang, Xia; Zhengguo, Sun; Jianlong, Li; Yiqi, Luo; Chengcheng, Gang; Zhaoqi, Wang

    2015-01-01

    As a key factor that determines carbon storage capacity, residence time (τE) is not well constrained in terrestrial biosphere models. This factor is recognized as an important source of model uncertainty. In this study, to understand how τE influences terrestrial carbon storage prediction in diagnostic models, we introduced a model decomposition scheme in the Boreal Ecosystem Productivity Simulator (BEPS) and then compared it with a prognostic model. The result showed that τE ranged from 32.7 to 158.2 years. The baseline residence time (τ'E) was stable for each biome, ranging from 12 to 53.7 years for forest biomes and 4.2 to 5.3 years for non-forest biomes. The spatiotemporal variations in τE were mainly determined by the environmental scalar (ξ). By comparing models, we found that the BEPS uses a more detailed pool construction but rougher parameterization for carbon allocation and decomposition. With respect to ξ comparison, the global difference in the temperature scalar (ξt) averaged 0.045, whereas the moisture scalar (ξw) had a much larger variation, with an average of 0.312. We propose that further evaluations and improvements in τ'E and ξw predictions are essential to reduce the uncertainties in predicting carbon storage by the BEPS and similar diagnostic models. PMID:26541245

  16. Base and copper(I) catalyzed Mannich, alkyne hydroamination cascades for the direct synthesis of 2-methylenepyrrolidines.

    PubMed

    Wang, Hai-Fei; Yang, Ting; Xu, Peng-Fei; Dixon, Darren J

    2009-07-14

    An efficient, simple-to-perform, one-pot reaction cascade to 2-methylenepyrrolidines from p-toluenesulfonyl protected imines and propargylated malonates under a combination of base and copper(I) catalysis is reported. PMID:19662251

  17. Stochastic shock response spectrum decomposition method based on probabilistic definitions of temporal peak acceleration, spectral energy, and phase lag distributions of mechanical impact pyrotechnic shock test data

    NASA Astrophysics Data System (ADS)

    Hwang, James Ho-Jin; Duran, Adam

    2016-08-01

    Most of the times pyrotechnic shock design and test requirements for space systems are provided in Shock Response Spectrum (SRS) without the input time history. Since the SRS does not describe the input or the environment, a decomposition method is used to obtain the source time history. The main objective of this paper is to develop a decomposition method producing input time histories that can satisfy the SRS requirement based on the pyrotechnic shock test data measured from a mechanical impact test apparatus. At the heart of this decomposition method is the statistical representation of the pyrotechnic shock test data measured from the MIT Lincoln Laboratory (LL) designed Universal Pyrotechnic Shock Simulator (UPSS). Each pyrotechnic shock test data measured at the interface of a test unit has been analyzed to produce the temporal peak acceleration, Root Mean Square (RMS) acceleration, and the phase lag at each band center frequency. Maximum SRS of each filtered time history has been calculated to produce a relationship between the input and the response. Two new definitions are proposed as a result. The Peak Ratio (PR) is defined as the ratio between the maximum SRS and the temporal peak acceleration at each band center frequency. The ratio between the maximum SRS and the RMS acceleration is defined as the Energy Ratio (ER) at each band center frequency. Phase lag is estimated based on the time delay between the temporal peak acceleration at each band center frequency and the peak acceleration at the lowest band center frequency. This stochastic process has been applied to more than one hundred pyrotechnic shock test data to produce probabilistic definitions of the PR, ER, and the phase lag. The SRS is decomposed at each band center frequency using damped sinusoids with the PR and the decays obtained by matching the ER of the damped sinusoids to the ER of the test data. The final step in this stochastic SRS decomposition process is the Monte Carlo (MC

  18. Developing a high-latitude soil carbon cycle model with a focus on trait-based representation of decomposition

    NASA Astrophysics Data System (ADS)

    Bouskill, N.; Tang, J.; Riley, W. J.; Brodie, E. L.

    2012-12-01

    Global climate change is projected to have a significant impact on high-latitude ecosystems by altering the stability and distribution of annual permafrost and deepening the active layer. High-latitude permafrost soils store large quantities of organic matter, and climate change may lead to increases in organic matter decomposition and the production of carbon dioxide (CO2). The magnitude of CO2 flux depends largely on a complex suite of mechanisms primarily regulated by C-cycling microorganisms. In the present study we are developing a mechanistic ecological model by synthesizing multiple microbial traits to reconstruct a representation of the heterotrophic microbial community. The model develops a dynamic energy budget that is scaled against the availability and identity of electron donors and acceptors and represented by an ATP pool. This energy budget contributes to regulating macromolecular synthesis, including exoenzyme production, cell growth, and division. Traits encoded by a hypothetical 'genome' that are specific to individual guilds include growth rate, carbon use efficiency (CUE), and the possession of between 2 and 11 distinct monomer transporters linked to the presence of exoenzymes within the 'genome'. These traits determine the emergence of microbial communities under initial environmental conditions and also community dynamics as conditions change over time. The model prognoses decomposition rates, carbon pool transformations, and CO2 production. The system ecology was initially studied using a chemostat approach with one or multiple polymeric substrates. Emergence of the heterotrophic community was dependent on the presence of different polymers and trade-offs between physiological traits (e.g., possession of different exoenzymes or growth rate) and the cellular energy budget. Using this approach we examine the dynamics of the heterotrophic community and identify conditions under which copiotrophic and oligotrophic communities dominate

  19. 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

    2015-12-01

    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. PMID:26535791

  20. Theoretical study of the reaction of chitosan monomer with 2,3-epoxypropyl-trimethyl quaternary ammonium chloride catalyzed by an imidazolium-based ionic liquid.

    PubMed

    Mu, Xueli; Yang, Xiaodeng; Zhang, Dongju; Liu, Chengbu

    2016-08-01

    The molecular mechanism of the graft reaction of 2,3-epoxypropyl-trimethyl quaternary ammonium chloride with chitosan monomer was investigated by performing density functional theory (DFT) calculations. The calculated results show that the -NH2 group of chitosan monomer is more reactive than its -OH and -CH2OH groups, and the graft reaction on the -NH2 group is calculated to be exothermic by 20.5kcal/mol with a free energy barrier of 42.6kcal/mol. The reaction cannot benefit from the presence of the intruded water molecule, but can be considerably assisted by 1-allyl-3-methylimidazolium chloride ([Amim]Cl) ionic liquid. The reaction catalyzed by the ion-pair is calculated to be exothermic by 36.5kcal/mol and the barrier is reduced to 29.3kcal/mol, which are further corrected to 28.0 and 29.1kcal/mol by considering the solvent effect of [Amim]Cl ionic liquid. Calculated results verified the experimental finding that imidazolium-based ionic liquids can promote the reaction of chitosan with epoxy compounds. PMID:27112849

  1. The use of 18O-exchange and base-catalyzed N-dealkylation with liquid chromatography/tandem mass spectrometry to identify carbinolamide metabolites.

    PubMed

    Bessire, Andrew J; Vaz, Alfin D N; Walker, Gregory S; Wang, Wei Wei; Sharma, Raman

    2010-07-30

    Oxidation of N-alkyl-substituted amides is a common transformation observed in metabolism studies of drugs and other chemicals. Metabolism at the alpha carbon atom can produce stable carbinolamide compounds, which may be abundant enough to require complete confidence in structural assignments. In a drug discovery setting, rapid structural elucidation of test compounds is critical to inform the compound selection process. Traditional approaches to the analysis of carbinolamides have relied upon the time-consuming synthesis of authentic standards or purification of large enough quantities for characterization by nuclear magnetic resonance (NMR). We describe a simple technique used in conjunction with liquid chromatography/tandem mass spectrometry (LC/MS/MS) which demonstrates the chemical identity of a carbinolamide by its distinctive ability to reversibly exchange [(18)O]water through an imine intermediate. A key advantage of the technique is that the chromatographic retention times of metabolites are preserved, allowing direct comparisons of mass chromatograms from non-treated and [(18)O]water-treated samples. Metabolites susceptible to the treatment are clearly indicated by the addition of 2 mass units to their original mass. An additional test which can be used in conjunction with (18)O-exchange is base-catalyzed N-dealkylation of N-(alpha-hydroxy)alkyl compounds. The use of the technique is described for carbinolamide metabolites of dirlotapide, loperamide, and a proprietary compound. PMID:20552706

  2. Relationships Between Base-Catalyzed Hydrolysis Rates or Glutathione Reactivity for Acrylates and Methacrylates and Their NMR Spectra or Heat of Formation

    PubMed Central

    Fujisawa, Seiichiro; Kadoma, Yoshinori

    2012-01-01

    The NMR chemical shift, i.e., the π-electron density of the double bond, of acrylates and methacrylates is related to the reactivity of their monomers. We investigated quantitative structure-property relationships (QSPRs) between the base-catalyzed hydrolysis rate constants (k1) or the rate constant with glutathione (GSH) (log kGSH) for acrylates and methacrylates and the 13C NMR chemical shifts of their α,β-unsaturated carbonyl groups (δCα and δCβ) or heat of formation (Hf) calculated by the semi-empirical MO method. Reported data for the independent variables were employed. A significant linear relationship between k1 and δCβ, but not δCα, was obtained for methacrylates (r2 = 0.93), but not for acrylates. Also, a significant relationship between k1 and Hf was obtained for both acrylates and methacrylates (r2 = 0.89). By contrast, log kGSH for acrylates and methacrylates was linearly related to their δCβ (r2 = 0.99), but not to Hf. These findings indicate that the 13C NMR chemical shifts and calculated Hf values for acrylates and methacrylates could be valuable for estimating the hydrolysis rate constants and GSH reactivity of these compounds. Also, these data for monomers may be an important tool for examining mechanisms of reactivity. PMID:22754331

  3. Base-Catalyzed Depolymerization of Lignin with Heterogeneous Catalysts: Cooperative Research and Development Final Report, CRADA Number CRD-13-513

    SciTech Connect

    Beckham, Gregg T.

    2015-08-04

    We will synthesize and screen solid catalysts for the depolymerization of lignin to monomeric and oligomeric oxygenated species, which could be fractionated and integrated into refinery intermediate streams for selective upgrading, or catalytically upgraded to fuels and chemicals. This work will primarily focus on the synthesis and application of layered double hydroxides (LDHs) as recyclable, heterogeneous catalysts for depolymerization of lignin model compounds and softwood lignin. LDHs have been shown in our group to offer good supports and catalysts to promote base-catalyzed depolymerization of lignin model compounds and in preliminary experiments for the depolymerization of lignin from an Organosolv process. We will also include additional catalyst supports such as silica, alumina, and carbon as identified in ongoing and past efforts at NREL. This work will consist of two tasks. Overall, this work will be synergistic with ongoing efforts at NREL, funded by the DOE Biomass Program, on the development of catalysts for lignin depolymerization in the context of biochemical and thermochemical conversion of corn stover and other biomass feedstocks to advanced fuels and chemicals.

  4. Identification of a potential general acid/base in the reversible phosphoryl transfer reactions catalyzed by tyrosine recombinases: Flp H305

    PubMed Central

    Whiteson, Katrine L.; Chen, Yu; Chopra, Neeraj; Raymond, Amy C.; Rice, Phoebe A.

    2007-01-01

    Summary Flp provides a unique opportunity to apply the tools of chemical biology to phosphoryl transfer reactions. Flp and other tyrosine recombinases catalyze site-specific DNA rearrangements via a phosphotyrosine intermediate, similar to the mechanism of type Ib topoisomerases [1]. Unlike most related enzymes, Flp’s nucleophilic tyrosine derives from a different protomer than the remainder of its active site [2, 3]. Because the tyrosine can be supplied exogenously, non-natural synthetic analogs can be used. Here we examine the catalytic role of Flp’s conserved H305. DNA cleavage was studied using a peptide containing either tyrosine (pKa≅10), or 3-fluoro-tyrosine (pKa≅8.4). Religation was studied using DNA substrates with 3’-phospho-cresol (pKa≅10) or 3’-para-nitro-phenol (pKa≅7.1) mimicking the covalent protein-DNA intermediate. In both cases, the tyrosine analog with the lower pKa specifically restored the activity of an H305 mutant. These results provide the first experimental evidence that this conserved histidine functions as a general acid/base catalyst in tyrosine recombinases. PMID:17317566

  5. Ni-Catalyzed Amination Reactions: An Overview.

    PubMed

    Marín, Mario; Rama, Raquel J; Nicasio, M Carmen

    2016-08-01

    Nitrogen-containing organic compounds are valuable in many fields of science and industry. The most reliable method for the construction of C(sp(2) )-N bonds is undoubtedly palladium-catalyzed amination. In spite of the great achievements made in this area, the use of expensive Pd-based catalysts constitutes an important limitation for large-scale applications. Since nickel is the least expensive and most abundant among the group 10 metals, the interest in Ni-based catalysts for processes typically catalyzed by palladium has grown considerably over the last few years. Herein, we revise the development of Ni-catalyzed amination reactions, emphasizing the most relevant and recent advances in the field. PMID:27265724

  6. A PARALIND Decomposition-Based Coherent Two-Dimensional Direction of Arrival Estimation Algorithm for Acoustic Vector-Sensor Arrays

    PubMed Central

    Zhang, Xiaofei; Zhou, Min; Li, Jianfeng

    2013-01-01

    In this paper, we combine the acoustic vector-sensor array parameter estimation problem with the parallel profiles with linear dependencies (PARALIND) model, which was originally applied to biology and chemistry. Exploiting the PARALIND decomposition approach, we propose a blind coherent two-dimensional direction of arrival (2D-DOA) estimation algorithm for arbitrarily spaced acoustic vector-sensor arrays subject to unknown locations. The proposed algorithm works well to achieve automatically paired azimuth and elevation angles for coherent and incoherent angle estimation of acoustic vector-sensor arrays, as well as the paired correlated matrix of the sources. Our algorithm, in contrast with conventional coherent angle estimation algorithms such as the forward backward spatial smoothing (FBSS) estimation of signal parameters via rotational invariance technique (ESPRIT) algorithm, not only has much better angle estimation performance, even for closely-spaced sources, but is also available for arbitrary arrays. Simulation results verify the effectiveness of our algorithm. PMID:23604030

  7. Method based on chirp decomposition for dispersion mismatch compensation in precision absolute distance measurement using swept-wavelength interferometry.

    PubMed

    Lu, Cheng; Liu, Guodong; Liu, Bingguo; Chen, Fengdong; Hu, Tao; Zhuang, Zhitao; Xu, Xinke; Gan, Yu

    2015-12-14

    We establish a theoretical model of dispersion mismatch in absolute distance measurements using swept-wavelength interferometry (SWI) and propose a novel dispersion mismatch compensation method called chirp decomposition. This method separates the dispersion coefficient and distance under test, which ensures dispersion mismatch compensation without introducing additional random errors. In the measurement of a target located at 3.9 m, a measurement resolution of 45.9 μm is obtained, which is close to the theoretical resolution, and a standard deviation of 0.74 μm is obtained, which is better than the traditional method. The measurement results are compared to a single-frequency laser interferometer. The target moves from 1 m to 3.7 m, and the measurement precision using the new method is less than 0.81 μm. PMID:26698959

  8. Red Seaweed Enzyme-Catalyzed Bromination of Bromophenol Red: An Inquiry-Based Kinetics Laboratory Experiment for Undergraduates

    ERIC Educational Resources Information Center

    Jittam, Piyachat; Boonsiri, Patcharee; Promptmas, Chamras; Sriwattanarothai, Namkang; Archavarungson, Nattinee; Ruenwongsa, Pintip; Panijpan, Bhinyo

    2009-01-01

    Haloperoxidase enzymes are of interest for basic and applied bioscientists because of their increasing importance in pharmaceutical industry and environmental cleanups. In a guided inquiry-based laboratory experiment for life-science, agricultural science, and health science undergraduates, the bromoperoxidase from a red seaweed was used to…

  9. Low Temperature Decomposition Rates for Tetraphenylborate Ion

    SciTech Connect

    Walker, D.D.

    1998-11-18

    Previous studies indicated that palladium is catalyzes rapid decomposition of alkaline tetraphenylborate slurries. Additional evidence suggest that Pd(II) reduces to Pd(0) during catalyst activation. Further use of tetraphenylborate ion in the decontamination of radioactive waste may require removal of the catalyst or cooling to temperatures at which the decomposition reaction proceeds slowly and does not adversely affect processing. Recent tests showed that tetraphenylborate did not react appreciably at 25 degrees Celsius over six months suggesting the potential to avoid the decomposition at low temperatures. The lack of reaction at low temperature could reflect very slow kinetics at the lower temperature, or may indicate a catalyst ''deactivation'' process. Previous tests in the temperature range 35 to 70 degrees Celsius provided a low precision estimate of the activation energy of the reaction with which to predict the rate of reaction at 25 percent Celsius. To understand the observations at 25 degrees Celsius, experiments must separate the catalyst activation step and the subsequent reaction with TPB. Tests described in this report represent an initial attempt to separate the two steps and determine the rate and activation energy of the reaction between active catalyst and TPB. The results of these tests indicate that the absence of reaction at 25 degrees Celsius was caused by failure to activate the catalyst or the presence of a deactivating mechanism. In the presence of activated catalyst, the decomposition reaction rate is significant.

  10. Unexpected role of anionic ligands in the ruthenium-catalyzed base-free selective hydrogenation of aldehydes.

    PubMed

    Dupau, Philippe; Bonomo, Lucia; Kermorvan, Laurent

    2013-10-18

    Bigger and better: The replacement of anionic chloride ligands in Noyori-type [(diamine)(diphosphine)RuCl2 ] catalysts with bulky carboxylate ligands enabled the efficient selective hydrogenation of a variety of aldehydes under base-free conditions. Turnover numbers of up to 100 000 were reached in the presence of a bulky carboxylic acid co-catalyst. This type of catalytic system probably operates through an inner-sphere mechanism. PMID:24038827

  11. Synthesis of novel Schiff base ligands from gluco- and galactochloraloses for the Cu(II) catalyzed asymmetric Henry reaction.

    PubMed

    Alkan, Sevda; Telli, Fatma Ç; Salman, Yeşim; Astley, Stephen T

    2015-04-30

    A series of chiral Schiff base ligands has been prepared using aminochloralose derivatives of glucose and galactose. These ligands were used as catalysts in the asymmetric Henry reaction in the presence of Cu(II) ions giving yields of up to 95%. An interesting solvent dependency on enantiomeric control was observed with the best enantiomeric excesses (up to 91%) being obtained in the presence of water. PMID:25742867

  12. Bispalladacycle-catalyzed Brønsted acid/base-promoted asymmetric tandem azlactone formation-Michael addition.

    PubMed

    Weber, Manuel; Jautze, Sascha; Frey, Wolfgang; Peters, René

    2010-09-01

    Cooperative activation by a soft bimetallic catalyst, a hard Brønsted acid, and a hard Brønsted base has allowed the formation of highly enantioenriched, diastereomerically pure masked alpha-amino acids with adjacent quaternary and tertiary stereocenters in a single reaction starting from racemic N-benzoylated amino acids. The products can, for example, be used to prepare bicyclic dipeptides. PMID:20715774

  13. Characterization and Modeling of Electrical Response of Electrode Catalyzed Reactions in AIGaN/GaN-Based Gas Sensors

    NASA Astrophysics Data System (ADS)

    Melby, Jacob H.

    AlGaN/GaN high electron mobility transistors (HEMT) and AlGaN/GaN diodes have promise for use as hydrogen and hydrocarbon sensors for a variety of industrial, military, and commercial applications. These semiconductor-based sensors have a number of advantages over other sensor technologies, such as the ability to operate at high temperatures, in corrosive environments, or under ionizing radiation. The high sensitivity of these devices to hydrogen-containing gases is associated with polarization differences within the AlGaN/GaN heterostructure that give rise to the formation of a two-dimensional electron gas (2DEG); exposure of the device to hydrogen changes the density of the 2DEG, which can be detected in a HEMT or diode structure. Although sensitivity to a range of gases has been reported, the factors that influence the behavior of the sensors are not well studied. The overarching goals of the research that follows were to determine how gas exposure conditions affect sensor behavior, to characterize and model the relationship between the electrical response of the sensors and the external gaseous environment, and to investigate the effects of using different metal catalysts on sensor behavior. The heterostructures used in this work were grown via metalorganic vapor phase epitaxy (MOVPE). Schottky diode and transistor devices employing platinum-group (Pd, Pt, Rh, Ir, Ru, and Os) catalysts were fabricated to allow electrical sensitivity in the presence of hydrogen and hydrogen containing gases. The generation of atomic hydrogen on the catalyst surface results in the rapid formation of hydrogen dipoles at the metal-semiconductor interface, which produces a measurable electronic response. The electrical response of Pt-gated HEMT-based sensors were measured in a flowing gaseous stream consisting of hydrogen in a pure nitrogen diluent at ambient and elevated temperatures. The transistors exhibited excellent transfer characteristics for temperatures ranging from 25

  14. Base-Free Direct Synthesis of Alkynylphosphonates from Alkynes and H-Phosphonates Catalyzed by Cu2O.

    PubMed

    Moglie, Yanina; Mascaró, Evangelina; Gutierrez, Victoria; Alonso, Francisco; Radivoy, Gabriel

    2016-03-01

    A simple and mild methodology for the direct synthesis of alkynylphosphonates is presented. The reaction of a variety of terminal alkynes with dialkyl phosphites in the presence Cu2O (14 mol %) led to the formation of the corresponding alkynylphosphonates in good to excellent yields. Reactions are performed under air, in acetonitrile as solvent, and in the absence of base or ligand additives. This new methodology is compatible with the presence of a wide variety of functional groups on the starting alkynes and can be scaled up to a gram scale. PMID:26839204

  15. Effect of cooling time on the vapor liquid solid based growth of gold-catalyzed bismuth nanorods

    NASA Astrophysics Data System (ADS)

    Acharya, Susant Kumar; Rai, Alok Kumar; Kim, Gil-Sung; Hyung, Jung-Hwan; Ahn, Byung-Guk; Lee, Sang-Kwon

    2012-01-01

    Deposition of single crystalline bismuth nanorods (Bi NRs) using a thermal evaporation method through vapor-liquid-solid (VLS) mechanism is reported here and the effect of sample cooling time on the growth of Bi NRs is investigated. Deposited Bi NRs have diameters varying from 100 to 400 nm and lengths extending to ∼3 μm in the (012) growth direction. Morphological observation indicated that the length and density of Bi NRs are strongly coupled with prolonged cooling time. A growth mechanism is suggested and discussed to describe the growth of single crystalline Bi NRs based on the morphological observations as a function of cooling temperature and time.

  16. Base-Catalyzed Hydrophosphination of Azobenzenes with Diarylphosphine Oxides: A Precise Construction of N-N-P Unit.

    PubMed

    Hong, Gang; Zhu, Xiaoyan; Hu, Chen; Aruma, Alfred Njasotapher; Wu, Shengying; Wang, Limin

    2016-08-01

    Addition of diarylphosphine oxides to the N═N double bond of azobenzenes leads to the formation of the P-substituted hydrazines in up to 98% yield for 24 examples, and the formation of diphenylphosphinic amides was observed in three substrates. This strategy features tolerance of a wide range of functional groups, simple operation, and mild reaction conditions. Specially, this method can be also applied to the gram-scale synthesis of the product. A polar reaction mechanism is also proposed based on control experiments. PMID:27387595

  17. Tritium catalyzed deuterium tokamaks

    SciTech Connect

    Greenspan, E.; Miley, G.H.; Jung, J.; Gilligan, J.

    1984-04-01

    A preliminary assessment of the promise of the Tritium Catalyzed Deuterium (TCD) tokamak power reactors relative to that of deuterium-tritium (D-T) and catalyzed deuterium (Cat-D) tokamaks is undertaken. The TCD mode of operation is arrived at by converting the /sup 3/He from the D(D,n)/sup 3/He reaction into tritium, by neutron capture in the blanket; the tritium thus produced is fed into the plasma. There are three main parts to the assessment: blanket study, reactor design and economic analysis and an assessment of the prospects for improvements in the performance of TCD reactors (and in the promise of the TCD mode of operation, in general).

  18. Ion chromatography electrospray ionization mass spectrometry method development and investigation of lithium hexafluorophosphate-based organic electrolytes and their thermal decomposition products.

    PubMed

    Kraft, Vadim; Grützke, Martin; Weber, Waldemar; Winter, Martin; Nowak, Sascha

    2014-08-01

    A method based on the coupling of ion chromatography (IC) and electrospray ionization mass spectrometry (ESI-MS) for the separation and determination of thermal decomposition products of LiPF6-based organic electrolytes is presented. The utilized electrolytes, LP30 and LP50, are commercially available and consist of 1mol/l LiPF6 dissolved in ethylene carbonate/dimethyl carbonate and ethylene carbonate/ethyl methyl carbonate, respectively. For the separation method development three ion chromatographic columns with different capacity and stationary phase were used and compared. Besides the known hydrolysis products of lithium hexafluorophosphate, several new organophosphates were separated and identified with the developed IC-ESI-MS method during aging investigations of the electrolytes. The chemical structures were elucidated with IC-ESI-MS/MS. PMID:24939088

  19. Natural gas leak location with K-L divergence-based adaptive selection of Ensemble Local Mean Decomposition components and high-order ambiguity function

    NASA Astrophysics Data System (ADS)

    Sun, Jiedi; Xiao, Qiyang; Wen, Jiangtao; Zhang, Ying

    2015-07-01

    In this study, a time-delay estimation method based on Ensemble Local Mean Decomposition (ELMD) method and high-order ambiguity function (HAF) is proposed for locating natural gas pipeline leaks. The leakage signals were decomposed using ELMD, and numerous production functions (PFs) were obtained. An adaptive selection method based on Kullback-Leibler (K-L) divergence was proposed to process these PF components and choose the characteristic PFs that contain most of the leakage information. The HAF was employed to analyze the instantaneous parameters of the characteristic PFs and calculate the difference in arrival time of characteristic frequencies. From the time difference and the signal propagation speed, the natural gas pipeline leakage location can be determined. The experiment results show that the proposed method can locate leaks with higher accuracy than cross-correlation method.

  20. Ferrocene-based sulfonyl dihydropyrazole derivatives: Synthesis, structure, electrochemistry and effect on thermal decomposition of NH4ClO4

    NASA Astrophysics Data System (ADS)

    Zhuo, Ji-Bin; Li, Heng-Dong; Lin, Cai-Xia; Xie, Li-Li; Bai, Sha; Yuan, Yao-Feng

    2014-06-01

    Three ferrocene-based sulfonyl-substituted dihydropyrazoles 3a-c have been synthesized, from the corresponding α,β-unsaturated diketones, and fully characterized. The crystal structures of 3a-c have been confirmed by X-ray crystallography, and electrochemistry behaviors of 3a-c have been examined by cyclic voltammetry (CV). Representatively, the mechanism of the electron transfer in redox process of 3a has been verified by density functional theory (DFT) calculation. It has been found that the activity of catalytic decomposition of ammonium perchlorate (AP) is significantly lowered (by 62.9-104.7 °C) with an addition of 3a-c. We expect that the ferrocene-based sulfonyl dihydropyrazole derivatives would have a great value in burning rate catalyst as composite solid propellants.

  1. Surface-catalyzed C-C covalent coupling strategies toward the synthesis of low-dimensional carbon-based nanostructures.

    PubMed

    Fan, Qitang; Gottfried, J Michael; Zhu, Junfa

    2015-08-18

    Carbon-based nanostructures have attracted tremendous interest because of their versatile and tunable properties, which depend on the bonding type of the constituting carbon atoms. Graphene, as the most prominent representative of the π-conjugated carbon-based materials, consists entirely of sp(2)-hybridized carbon atoms and exhibits a zero band gap. Recently, countless efforts were made to open and tune the band gap of graphene for its applications in semiconductor devices. One promising method is periodic perforation, resulting in a graphene nanomesh (GNM), which opens the band gap while maintaining the exceptional transport properties. However, the typically employed lithographic approach for graphene perforation is difficult to control at the atomic level. The complementary bottom-up method using surface-assisted carbon-carbon (C-C) covalent coupling between organic molecules has opened up new possibilities for atomically precise fabrication of conjugated nanostructures like GNM and graphene nanoribbons (GNR), although with limited maturity. A general drawback of the bottom-up approach is that the desired structure usually does not represent the global thermodynamic minimum. It is therefore impossible to improve the long-range order by postannealing, because once the C-C bond formation becomes reversible, graphene as the thermodynamically most stable structure will be formed. This means that only carefully chosen precursors and reaction conditions can lead to the desired (non-graphene) material. One of the most popular and frequently used organic reactions for on-surface C-C coupling is the Ullmann reaction of aromatic halides. While experimentally simple to perform, the irreversibility of the C-C bond formation makes it a challenge to obtain long-range ordered nanostructures. With no postreaction structural improvement possible, the assembly process must be optimized to result in defect-free nanostructures during the initial reaction, requiring complete

  2. A biomimetic pathway for vanadium-catalyzed aerobic oxidation of alcohols: evidence for a base-assisted dehydrogenation mechanism.

    PubMed

    Wigington, Bethany N; Drummond, Michael L; Cundari, Thomas R; Thorn, David L; Hanson, Susan K; Scott, Susannah L

    2012-11-19

    The first step in the catalytic oxidation of alcohols by molecular O(2), mediated by homogeneous vanadium(V) complexes [LV(V)(O)(OR)], is ligand exchange. The unusual mechanism of the subsequent intramolecular oxidation of benzyl alcoholate ligands in the 8-hydroxyquinolinato (HQ) complexes [(HQ)(2)V(V)(O)(OCH(2)C(6)H(4)-p-X)] involves intermolecular deprotonation. In the presence of triethylamine, complex 3 (X = H) reacts within an hour at room temperature to generate, quantitatively, [(HQ)(2)V(IV)(O)], benzaldehyde (0.5 equivalents), and benzyl alcohol (0.5 equivalents). The base plays a key role in the reaction: in its absence, less than 12% conversion was observed after 72 hours. The reaction is first order in both 3 and NEt(3), with activation parameters ΔH(≠)=(28±4) kJ mol(-1) and ΔS(≠)=(-169±4) J K(-1)  mol(-1). A large kinetic isotope effect, 10.2±0.6, was observed when the benzylic hydrogen atoms were replaced by deuterium atoms. The effect of the para substituent of the benzyl alcoholate ligand on the reaction rate was investigated using a Hammett plot, which was constructed using σ(p). From the slope of the Hammett plot, ρ=+(1.34±0.18), a significant buildup of negative charge on the benzylic carbon atom in the transition state is inferred. These experimental findings, in combination with computational studies, support an unusual bimolecular pathway for the intramolecular redox reaction, in which the rate-limiting step is deprotonation at the benzylic position. This mechanism, that is, base-assisted dehydrogenation (BAD), represents a biomimetic pathway for transition-metal-mediated alcohol oxidations, differing from the previously identified hydride-transfer and radical pathways. It suggests a new way to enhance the activity and selectivity of vanadium catalysts in a wide range of redox reactions, through control of the outer coordination sphere. PMID:23080554

  3. Bacillus amyloliquefaciens levansucrase-catalyzed the synthesis of fructooligosaccharides, oligolevan and levan in maple syrup-based reaction systems.

    PubMed

    Li, Mengxi; Seo, Sooyoun; Karboune, Salwa

    2015-11-20

    Maple syrups with selected degree Brix (°Bx) (15, 30, 60) were investigated as reaction systems for levansucrase from Bacillus amyloliquefaciens. The enzymatic conversion of sucrose present in the maple syrup and the production of the transfructosylation products were assessed over a time course of 48h. At 30°C, the use of maple syrup 30°Bx led to the highest levansucrase activity (427.53μmol/mg protein/min), while maple syrup 66°Bx led to the highest converted sucrose concentration (1.53M). In maple syrup 30°Bx, oligolevans (1080%). In maple syrup 66°Bx, the most abundant products were oligolevans at 30°C and levans (DP≥30) at 8°C. The acceptor specificity study revealed the ability of B. amyloliquefaciens levansucrase to synthesize a variety of hetero-fructooligosaccharides (FOSs) in maple syrups 15°Bx and 30°Bx enriched with various disaccharides, with lactose being the preferred fructosyl acceptor. The current study is the first to investigate maple-syrup-based reaction systems for the synthesis of FOSs/oligolevans/levans. PMID:26344273

  4. A novel label-free optical cysteine sensor based on the competitive oxidation reaction catalyzed by G-quadruplex halves.

    PubMed

    Su, Haichao; Qiao, Fengmin; Duan, Ruihuan; Chen, Lijian; Ai, Shiyun

    2013-05-15

    A sensitive and selective colorimetric detection method for Cysteine (Cys) was established in this paper. The detection mechanism is based on the oxidation of Cys by H2O2, which prevents the catalysis of the 2,2'-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS)-H2O2 reaction by G-quadruplex halves. With the addition of Cys, the amount of the blue-green-colored free-radical cation (ABTS(·+)) was reduced. The absorbance of ABTS(+) at 421nm weakened as the color of the solution changed from blue-green to colorless. The concentration of Cys can be determined by monitoring this competitive reaction with the naked eye or using a UV-vis spectrometer. The calibration curve showed that the net absorption value at 421nm linearly increased over the Cys concentration range of 0.005-100μM with a detection limit of 5nM. Furthermore, amino acids other than Cys cannot mediate the color change under the identical conditions because of the absence of thiol groups, thereby suggesting the selectivity towards Cys of the proposed method. The optical sensor is high selective, which is important for the determination of Cys in serum samples. The assay shows great potential for its practical application as a disease-associated indicator which could satisfy the need for amino acid determination in fields such as food processing, biochemistry, pharmaceuticals, and clinical analysis. PMID:23333922

  5. Visual detection of trace copper ions based on copper-catalyzed reaction of ascorbic acid with oxygen

    NASA Astrophysics Data System (ADS)

    Hou, Xin Yan; Chen, Shu; Shun, Lian Ju; Zhao, Yi Ni; Zhang, Zhi Wu; Long, Yun Fei; Zhu, Li

    2015-10-01

    A visual detection method for trace Cu2+ in aqueous solutions using triangular silver nanoplates (abbreviated as TAgNPs) as the probe was developed. The method is based on that TAgNPs could be corroded in sodium thiosulfate (Na2S2O3) solutions. The absorption spectrum of TAgNPs solution changed when it is corroded by Na2S2O3. The reaction of oxygen with ascorbic acid (Vc) in the presence of a low concentration of Cu2+ generates hydrogen peroxide that reacts with Na2S2O3, which leads the concentration of Na2S2O3 in the solution to be decreased. Therefore, the reaction between TAgNPs and the reacted mixture of Na2S2O3/Vc/Cu2+ was prevented efficiently. When the Na2S2O3 concentration and reaction time are constant, the decrease in the concentration of Na2S2O3 is directly proportional to the Cu2+ concentration. Thus, morphology, color, and maximum absorption wavelength of TAgNPs changed with the change of Cu2+ concentration. The changed maximum absorption wavelength of TAgNPs (Δλ) is proportional to Cu2+ concentration in the range from 7.5 × 10-9 to 5.0 × 10-7 M with a correlation coefficient of r = 0.9956. Moreover, color change of TAgNP solution was observed clearly over a Cu2+ concentration range from 7.5 × 10-8 to 5.0 × 10-7 M. This method has been used to detect the Cu2+ content of a human hair sample, and the result is in agreement with that obtained by the atomic absorption spectroscopy (AAS) method.

  6. Comparison of the thermal decomposition processes of several aminoalcohol-based ZnO inks with one containing ethanolamine

    NASA Astrophysics Data System (ADS)

    Gómez-Núñez, Alberto; Roura, Pere; López, Concepción; Vilà, Anna

    2016-09-01

    Four inks for the production of ZnO semiconducting films have been prepared with zinc acetate dihydrate as precursor salt and one among the following aminoalcohols: aminopropanol (APr), aminomethyl butanol (AMB), aminophenol (APh) and aminobenzyl alcohol (AB) as stabilizing agent. Their thermal decomposition process has been analyzed in situ by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and evolved gas analysis (EGA), whereas the solid product has been analysed ex-situ by X-ray diffraction (XRD) and infrared spectroscopy (IR). Although, except for the APh ink, crystalline ZnO is already obtained at 300 °C, the films contain an organic residue that evolves at higher temperature in the form of a large variety of nitrogen-containing cyclic compounds. The results indicate that APr can be a better stabilizing agent than ethanolamine (EA). It gives larger ZnO crystal sizes with similar carbon content. However, a common drawback of all the amino stabilizers (EA included) is that nitrogen atoms have not been completely removed from the ZnO film at the highest temperature of our experiments (600 °C).

  7. Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design.

    PubMed

    Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K

    2016-07-12

    We report the development and implementation of an energy decomposition analysis (EDA) scheme in the ONETEP linear-scaling electronic structure package. Our approach is hybrid as it combines the localized molecular orbital EDA (Su, P.; Li, H. J. Chem. Phys., 2009, 131, 014102) and the absolutely localized molecular orbital EDA (Khaliullin, R. Z.; et al. J. Phys. Chem. A, 2007, 111, 8753-8765) to partition the intermolecular interaction energy into chemically distinct components (electrostatic, exchange, correlation, Pauli repulsion, polarization, and charge transfer). Limitations shared in EDA approaches such as the issue of basis set dependence in polarization and charge transfer are discussed, and a remedy to this problem is proposed that exploits the strictly localized property of the ONETEP orbitals. Our method is validated on a range of complexes with interactions relevant to drug design. We demonstrate the capabilities for large-scale calculations with our approach on complexes of thrombin with an inhibitor comprised of up to 4975 atoms. Given the capability of ONETEP for large-scale calculations, such as on entire proteins, we expect that our EDA scheme can be applied in a large range of biomolecular problems, especially in the context of drug design. PMID:27248370

  8. Manganese(II) Complexes with Schiff Bases Immobilized on Nanosilica as Catalysts of the Reaction of Ozone Decomposition

    NASA Astrophysics Data System (ADS)

    Rakytska, Tetyana; Truba, Alla; Radchenko, Evgen; Golub, Alexander

    2015-12-01

    In this article, we submit the description of synthesis and identification of manganese(II) complexes with pyrogenic nanosilica-immobilized ( d av = 10 nm; S sp = 290 m2/g) hydroxyaldimine ligands (Mn{(L)}_2/overline{Si}) : salicilaldiminopropyl (L1); 5-bromosalicilaldiminopropyl (L2); 2-hydroxynaphtaldiminopropyl (L3); 2-hydroxy-3-methoxybenzaldiminopropyl (L4); 2-hydroxy-3,5-dichloroacetophenoniminopropyl (L5); and 4-hydroxy-3-methoxybenzaldiminopropyl (L6). The ligands and complexes were characterized by UV-VIS and IR spectrometry. Nanocomposites consisting of complexes Mn{(L)}_2/overline{Si} showed a high catalytic activity in low-temperature ozone decomposition in the range of concentrations between 2.1 × 10-6 and 8.4 × 10-6 mol/l. The number of catalytic cycles increased for isostructural pseudotetrahedral complexes Mn{(L)}_2/overline{Si} (L1-L5) in the following order: Mn(L3)2 >> Mn(L4)2 > Mn(L1)2 > Mn(L2)2 > Mn(L5)2. In the case of pseudooctahedral complexes with L6, the change of coordination polyhedral does not influence the kinetics and stoichiometric parameters of the reaction.

  9. Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes

    SciTech Connect

    Liu, Hao; Zhu, Lili; Bai, Shuming; Shi, Qiang

    2014-04-07

    We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly in the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.

  10. Manganese(II) Complexes with Schiff Bases Immobilized on Nanosilica as Catalysts of the Reaction of Ozone Decomposition.

    PubMed

    Rakytska, Tetyana; Truba, Alla; Radchenko, Evgen; Golub, Alexander

    2015-12-01

    In this article, we submit the description of synthesis and identification of manganese(II) complexes with pyrogenic nanosilica-immobilized (d av = 10 nm; S sp = 290 m(2)/g) hydroxyaldimine ligands [Formula: see text]: salicilaldiminopropyl (L1); 5-bromosalicilaldiminopropyl (L2); 2-hydroxynaphtaldiminopropyl (L3); 2-hydroxy-3-methoxybenzaldiminopropyl (L4); 2-hydroxy-3,5-dichloroacetophenoniminopropyl (L5); and 4-hydroxy-3-methoxybenzaldiminopropyl (L6). The ligands and complexes were characterized by UV-VIS and IR spectrometry. Nanocomposites consisting of complexes [Formula: see text] showed a high catalytic activity in low-temperature ozone decomposition in the range of concentrations between 2.1 × 10(-6) and 8.4 × 10(-6) mol/l. The number of catalytic cycles increased for isostructural pseudotetrahedral complexes [Formula: see text] (L1-L5) in the following order: Mn(L3)2 > Mn(L4)2 > Mn(L1)2 > Mn(L2)2 > Mn(L5)2. In the case of pseudooctahedral complexes with L6, the change of coordination polyhedral does not influence the kinetics and stoichiometric parameters of the reaction. PMID:26643653

  11. Iridium-Catalyzed Allylic Substitution

    NASA Astrophysics Data System (ADS)

    Hartwig, John F.; Pouy, Mark J.

    Iridium-catalyzed asymmetric allylic substitution has become a valuable method to prepare products from the addition of nucleophiles at the more substituted carbon of an allyl unit. The most active and selective catalysts contain a phosphoramidite ligand possessing at least one arylethyl substituent on the nitrogen atom of the ligand. In these systems, the active catalyst is generated by a base-induced cyclometalation at the methyl group of this substituent to generate an iridium metalacycle bound by the COD ligand of the [Ir(COD)Cl]2 precursor and one additional labile dative ligand. Such complexes catalyze the reactions of linear allylic esters with alkylamines, arylamines, phenols, alcohols, imides, carbamates, ammonia, enolates and enolate equivalents, as well as typical stabilized carbon nucleophiles generated from malonates and cyanoesters. Iridium catalysts for enantioselective allylic substitution have also been generated from phosphorus ligands with substituents bound by heteroatoms, and an account of the studies of such systems, along with a description of the development of iridium catalysts is included.

  12. 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. PMID:22332771

  13. Atomic-Scale Mechanisms for Electrolyte Decomposition in Li-ion Battery Cathodes

    NASA Astrophysics Data System (ADS)

    Fuhst, Mallory; Siegel, Donald

    Li-ion batteries using high energy density LiCoO2 (LCO) intercalation cathodes are known to generate gaseous species inside the cell, which can lead to venting flammable solvent vapor. It has been hypothesized that reactions at the cathode/electrolyte interface catalyze the production of these gaseous species. To elucidate the underlying reaction mechanism, first principles calculations were used to model interactions between LCO surfaces and Ethylene Carbonate (EC), a commonly used solvent in Li-ion batteries. A Metropolis Monte Carlo algorithm was used to identify likely low energy adsorption configurations for EC on the (10-14) surface of LCO. Several of these geometries were further analyzed with DFT. The thermodynamics and kinetics of EC decomposition were evaluated for plausible reaction pathways and associated various solvent decomposition mechanisms, such as hydrogen abstraction. Preliminary results indicate that hydrogen abstraction may lead to the spontaneous decomposition of EC into CO and other adsorbed species at the surface. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE 1256260.

  14. Frozen Gaussian approximation based domain decomposition methods for the linear Schrödinger equation beyond the semi-classical regime

    NASA Astrophysics Data System (ADS)

    Lorin, E.; Yang, X.; Antoine, X.

    2016-06-01

    The paper is devoted to develop efficient domain decomposition methods for the linear Schrödinger equation beyond the semiclassical regime, which does not carry a small enough rescaled Planck constant for asymptotic methods (e.g. geometric optics) to produce a good accuracy, but which is too computationally expensive if direct methods (e.g. finite difference) are applied. This belongs to the category of computing middle-frequency wave propagation, where neither asymptotic nor direct methods can be directly used with both efficiency and accuracy. Motivated by recent works of the authors on absorbing boundary conditions (Antoine et al. (2014) [13] and Yang and Zhang (2014) [43]), we introduce Semiclassical Schwarz Waveform Relaxation methods (SSWR), which are seamless integrations of semiclassical approximation to Schwarz Waveform Relaxation methods. Two versions are proposed respectively based on Herman-Kluk propagation and geometric optics, and we prove the convergence and provide numerical evidence of efficiency and accuracy of these methods.

  15. High efficiency chemical energy conversion system based on a methane catalytic decomposition reaction and two fuel cells. Part II. Exergy analysis

    NASA Astrophysics Data System (ADS)

    Liu, Qinghua; Tian, Ye; Li, Hongjiao; Jia, Lijun; Xia, Chun; Thompson, Levi T.; Li, Yongdan

    A methane catalytic decomposition reactor-direct carbon fuel cell-internal reforming solid oxide fuel cell (MCDR-DCFC-IRSOFC) energy system is highly efficient for converting the chemical energy of methane into electrical energy. A gas turbine cycle is also used to output more power from the thermal energy generated in the IRSOFC. In part I of this work, models of the fuel cells and the system are proposed and validated. In this part, exergy conservation analysis is carried out based on the developed electrochemical and thermodynamic models. The ratio of the exergy destruction of each unit is examined. The results show that the electrical exergy efficiency of 68.24% is achieved with the system. The possibility of further recovery of the waste heat is discussed and the combined power-heat exergy efficiency is over 80%.

  16. Joint amplitude and frequency demodulation analysis based on local mean decomposition for fault diagnosis of planetary gearboxes

    NASA Astrophysics Data System (ADS)

    Feng, Zhipeng; Zuo, Ming J.; Qu, Jian; Tian, Tao; Liu, Zhiliang

    2013-10-01

    The vibration signals of faulty planetary gearboxes have complicated spectral structures due to the amplitude modulation and frequency modulation (AMFM) nature of gear damage induced vibration and the additional multiplicative amplitude modulation (AM) effect caused by the time-varying vibration transfer paths (for local gear damage case) and the passing planets (for distributed gear damage case). The spectral complexity leads to the difficulty in fault diagnosis of planetary gearboxes. Observing that both the amplitude envelope and the instantaneous frequency of planetary gearbox vibration signals are associated with the characteristic frequency of the faulty gear, a joint amplitude and frequency demodulation method is proposed for fault diagnosis of planetary gearboxes. In order to satisfy the mono-component requirement by instantaneous frequency estimation, a signal is firstly decomposed into product functions (PF) using the local mean decomposition (LMD) method. Then, the earliest extracted PF that has an instantaneous frequency fluctuating around the gear meshing frequency or its harmonics is chosen for further analysis, because it contains most of the information about the gear fault. The amplitude demodulation analysis can be accomplished through Fourier transforming the amplitude envelope of the chosen PF. For the frequency demodulation analysis, Fourier transform is applied to the estimated instantaneous frequency of the chosen PF to reveal its fluctuating frequency, thus obtaining the spectrum of the instantaneous frequency. By joint application of the amplitude and frequency demodulation methods, planetary gearbox faults can be diagnosed by matching the dominant peaks in the envelope spectrum and the spectrum of instantaneous frequency with the theoretical characteristic frequencies of faulty gears. The performance of the proposed method is illustrated by simulated signal analysis, and is validated by experimental signal analysis of a lab planetary

  17. Urea and urea nitrate decomposition pathways: a quantum chemistry study.

    PubMed

    Tokmakov, Igor V; Alavi, Saman; Thompson, Donald L

    2006-03-01

    Electronic structure calculations have been performed to investigate the initial steps in the gas-phase decomposition of urea and urea nitrate. The most favorable decomposition pathway for an isolated urea molecule leads to HNCO and NH3. Gaseous urea nitrate formed by the association of urea and HNO3 has two isomeric forms, both of which are acid-base complexes stabilized by the hydrogen-bonding interactions involving the acidic proton of HNO3 and either the O or N atoms of urea, with binding energies (D0(o), calculated at the G2M level with BSSE correction) of 13.7 and 8.3 kcal/mol, respectively, and with estimated standard enthalpies of formation (delta(f)H298(o) of -102.3 and -97.1 kcal/mol, respectively. Both isomers can undergo relatively facile double proton transfer within cyclic hydrogen-bonded structures. In both cases, HNO3 plays a catalytic role for the (1,3) H-shifts in urea by acting as a donor of the first and an acceptor of the second protons transferred in a relay fashion. The double proton transfer in the carbonyl/hydrogen bond complex mediates the keto-enol tautomerization of urea, and in the other complex the result is the breakdown of the urea part to the HNCO and NH3 fragments. The enolic form of urea is not expected to accumulate in significant quantities due to its very fast conversion back to H2NC(O)NH2 which is barrierless in the presence of HNO3. The HNO3-catalyzed breakdown of urea to HNCO and NH3 is predicted to be the most favorable decomposition pathway for gaseous urea nitrate. Thus, HNCO + NH3 + HNO3 and their association products (e.g., ammonium nitrate and isocyanate) are expected to be the major initial products of the urea nitrate decomposition. This prediction is consistent with the experimental T-jump/FTIR data [Hiyoshi et al. 12th Int. Detonation Symp., Aug 11-16, San Diego, CA, 2002]. PMID:16494387

  18. Red-Light Initiated Decomposition of α-Hydroxy Methylperoxy Radical in the Presence of Organic and Inorganic Acids: Implications for the HOx Formation in the Lower Stratosphere.

    PubMed

    Kumar, Manoj; Francisco, Joseph S

    2016-05-01

    Theoretical calculations have been carried out to investigate the gas-phase decomposition of α-hydroxy methylperoxy (HOCH2(OO)) radical in the absence and presence of formic acid, acetic acid, nitric acid, and sulfuric acid. The HOCH2(OO) radical decomposition represents a new source of the HOx radical in troposphere. The results suggest that sulfuric acid will be more effective than other acids in catalyzing the peroxy radical decomposition. However, the significant stability of prereaction and postreaction complexes in all the bimolecular reactions implies a new photomechanism for the acid-mediated decomposition of the HOCH2(OO) radical that involves the visible or near IR overtone excitation of the OH stretching modes or electronic excitation of the O-O peroxy moiety in the acid-bound radical. This new overtone or electronic excitation-based photomechanism for the peroxy radical decomposition may provide useful insight into the missing photolytic source of the HOx at high solar zenith angles corresponding to the dawn or dusk photochemistry. PMID:27070960

  19. 4-Dimenthylaminopyridine or Acid-Catalyzed Synthesis of Esters: A Comparison

    ERIC Educational Resources Information Center

    van den Berg, Annemieke W. C.; Hanefeld, Ulf

    2006-01-01

    A set of highly atom-economic experiments was developed to highlight the differences between acid- and base-catalyzed ester syntheses and to introduce the principles of atom economy. The hydrochloric acid-catalyzed formation of an ester was compared with the 4-dimethylaminopyradine-catalyzed ester synthesis.

  20. Variance decomposition in stochastic simulators

    SciTech Connect

    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.

  1. 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.

  2. Copper-Catalyzed Cascade Substitution/Cyclization of N-Isocyanates: A Synthesis of 1-Aminobenzimidazolones.

    PubMed

    An, Jing; Alper, Howard; Beauchemin, André M

    2016-07-15

    A copper-catalyzed cascade reaction of in situ generated nitrogen-substituted isocyanates (N-isocyanates) and 2-iodoanilines has been developed. The cascade relies on the base-catalyzed substitution of masked N-isocyanates, followed by Cu(I)-catalyzed coupling to afford a variety of 1-aminobenzimidazolones in moderate to excellent yields. This is the first example of a transition-metal-catalyzed cascade reaction involving N-isocyanate intermediates. PMID:27341005

  3. Iodine-catalyzed thiolation of electron-rich aromatics using sulfonyl hydrazides as sulfenylation reagents.

    PubMed

    Zhao, Xia; Li, Tianjiao; Zhang, Lipeng; Lu, Kui

    2016-01-21

    Iodine-catalyzed thiolation of electron-rich aromatics, including substituted anisole, thioanisole, phenol, toluene, and naphthalene, using sulfonyl hydrazides as sulfenylation reagents was carried out. Sulfonothioates, the products of decomposition of sulfonyl hydrazides in the presence of iodine, are proposed as the major sulfenylation species in this transformation. PMID:26645483

  4. Gold-catalyzed naphthalene functionalization.

    PubMed

    Pérez, Pedro J; Díaz-Requejo, M Mar; Rivilla, Iván

    2011-01-01

    The complexes IPrMCl (IPr = 1,3-bis(diisopropylphenyl)imidazol-2-ylidene, M = Cu, 1a; M = Au, 1b), in the presence of one equiv of NaBAr'(4) (Ar' = 3,5-bis(trifluoromethyl)phenyl), catalyze the transfer of carbene groups: C(R)CO(2)Et (R = H, Me) from N(2)C(R)CO(2)Et to afford products that depend on the nature of the metal center. The copper-based catalyst yields exclusively a cycloheptatriene derivative from the Buchner reaction, whereas the gold analog affords a mixture of products derived either from the formal insertion of the carbene unit into the aromatic C-H bond or from its addition to a double bond. In addition, no byproducts derived from carbene coupling were observed. PMID:21647320

  5. Gold-catalyzed naphthalene functionalization

    PubMed Central

    Rivilla, Iván

    2011-01-01

    Summary The complexes IPrMCl (IPr = 1,3-bis(diisopropylphenyl)imidazol-2-ylidene, M = Cu, 1a; M = Au, 1b), in the presence of one equiv of NaBAr'4 (Ar' = 3,5-bis(trifluoromethyl)phenyl), catalyze the transfer of carbene groups: C(R)CO2Et (R = H, Me) from N2C(R)CO2Et to afford products that depend on the nature of the metal center. The copper-based catalyst yields exclusively a cycloheptatriene derivative from the Buchner reaction, whereas the gold analog affords a mixture of products derived either from the formal insertion of the carbene unit into the aromatic C–H bond or from its addition to a double bond. In addition, no byproducts derived from carbene coupling were observed. PMID:21647320

  6. Gradient vector fields based on variational image decomposition for skeletonization of electronic speckle pattern interferometry fringe patterns with variable density and their applications.

    PubMed

    Chen, Xia; Tang, Chen; Li, Biyuan; Su, Yonggang

    2016-09-01

    The skeletonization methods based on gradient vector fields (GVFs) have been a powerful tool for electronic speckle pattern interferometry (ESPI) fringe patterns. However, the skeletonization of ESPI fringe patterns with variable density has been an open problem in this area. In this paper, we propose a novel method for calculating GVFs based on the variational image decomposition of ESPI fringe patterns with variable density. In the proposed method, the GVFs of low-density regions are described in Beppo-Levi space, the high-density regions in Hilbert space and the noise regions in curvelet space. The GVFs of a whole image are the sum of the decomposed GVFs of low-density regions and high-density regions. The skeletons of ESPI fringe patterns with variable density can be obtained based on the topological analysis of the GVFs of a whole image. We apply the proposed method to a computer-simulated and two experimentally obtained ESPI fringe patterns with variable density and compare them with the related skeleton methods based on GVFs. The experimental results have demonstrated that the proposed method outperforms the other methods, even when the quality of the ESPI fringe patterns is considerably low. PMID:27607264

  7. Orthogonal tensor decompositions

    SciTech Connect

    Tamara G. Kolda

    2000-03-01

    The authors explore the orthogonal decomposition of tensors (also known as multi-dimensional arrays or n-way arrays) using two different definitions of orthogonality. They present numerous examples to illustrate the difficulties in understanding such decompositions. They conclude with a counterexample to a tensor extension of the Eckart-Young SVD approximation theorem by Leibovici and Sabatier [Linear Algebra Appl. 269(1998):307--329].

  8. Highly Sensitive H2S Sensor Based on the Metal-Catalyzed SnO2 Nanocolumns Fabricated by Glancing Angle Deposition

    PubMed Central

    Yoo, Kwang Soo; Han, Soo Deok; Moon, Hi Gyu; Yoon, Seok-Jin; Kang, Chong-Yun

    2015-01-01

    As highly sensitive H2S gas sensors, Au- and Ag-catalyzed SnO2 thin films with morphology-controlled nanostructures were fabricated by using e-beam evaporation in combination with the glancing angle deposition (GAD) technique. After annealing at 500 °C for 40 h, the sensors showed a polycrystalline phase with a porous, tilted columnar nanostructure. The gas sensitivities (S = Rgas/Rair) of Au and Ag-catalyzed SnO2 sensors fabricated by the GAD process were 0.009 and 0.015, respectively, under 5 ppm H2S at 300 °C, and the 90% response time was approximately 5 s. These sensors showed excellent sensitivities compared with the SnO2 thin film sensors that were deposited normally (glancing angle = 0°, S = 0.48). PMID:26134105

  9. Domain decomposition for the SPN solver MINOS

    SciTech Connect

    Jamelot, Erell; Baudron, Anne-Marie; Lautard, Jean-Jacques

    2012-07-01

    In this article we present a domain decomposition method for the mixed SPN equations, discretized with Raviart-Thomas-Nedelec finite elements. This domain decomposition is based on the iterative Schwarz algorithm with Robin interface conditions to handle communications. After having described this method, we give details on how to optimize the convergence. Finally, we give some numerical results computed in a realistic 3D domain. The computations are done with the MINOS solver of the APOLLO3 (R) code. (authors)

  10. Highly Chemo- and Regioselective Construction of Spirocarbocycles by a Pd(0)-Catalyzed Dearomatization of Phenol-Based Biaryls with 1,3-Dienes.

    PubMed

    Luo, Lei; Zheng, Huayu; Liu, Jingjing; Wang, Hui; Wang, Yaoyu; Luan, Xinjun

    2016-05-01

    A novel Pd(0)-catalyzed intermolecular carbocyclization of phenol-derived biaryls with 1,3-dienes has been implemented through a sequence of oxidative addition to the C-I bond, regioselective olefin insertion, and allylative dearomatization. This method provides a broad range of attractive spirocyclic compounds bearing two contiguous tertiary/quaternary carbon centers in good yields with excellent chemoselectivity and regioselectivity. Moreover, preliminary results indicate that asymmetric control of this process is feasible with chiral ligands. PMID:27120015

  11. Real-time object recognition in multidimensional images based on joined extended structural tensor and higher-order tensor decomposition methods

    NASA Astrophysics Data System (ADS)

    Cyganek, Boguslaw; Smolka, Bogdan

    2015-02-01

    In this paper a system for real-time recognition of objects in multidimensional video signals is proposed. Object recognition is done by pattern projection into the tensor subspaces obtained from the factorization of the signal tensors representing the input signal. However, instead of taking only the intensity signal the novelty of this paper is first to build the Extended Structural Tensor representation from the intensity signal that conveys information on signal intensities, as well as on higher-order statistics of the input signals. This way the higher-order input pattern tensors are built from the training samples. Then, the tensor subspaces are built based on the Higher-Order Singular Value Decomposition of the prototype pattern tensors. Finally, recognition relies on measurements of the distance of a test pattern projected into the tensor subspaces obtained from the training tensors. Due to high-dimensionality of the input data, tensor based methods require high memory and computational resources. However, recent achievements in the technology of the multi-core microprocessors and graphic cards allows real-time operation of the multidimensional methods as is shown and analyzed in this paper based on real examples of object detection in digital images.

  12. 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.

  13. Pd-catalyzed arylation of chlorotrifluoroethylene using arylboronic acids.

    PubMed

    Yamamoto, Tetsuya; Yamakawa, Tetsu

    2012-07-01

    The palladium-catalyzed cross-coupling of chlorotrifluoroethylene and arylboronic acids proceeds in the presence of a base and H(2)O to provide α,β,β-trifluorostyrene derivatives in satisfactory yields. PMID:22691065

  14. Hydroxide-catalyzed bonding

    NASA Technical Reports Server (NTRS)

    Gwo, Dz-Hung (Inventor)

    2003-01-01

    A method of bonding substrates by hydroxide-catalyzed hydration/dehydration involves applying a bonding material to at least one surface to be bonded, and placing the at least one surface sufficiently close to another surface such that a bonding interface is formed between them. A bonding material of the invention comprises a source of hydroxide ions, and may optionally include a silicate component, a particulate filling material, and a property-modifying component. Bonding methods of the invention reliably and reproducibly provide bonds which are strong and precise, and which may be tailored according to a wide range of possible applications. Possible applications for bonding materials of the invention include: forming composite materials, coating substrates, forming laminate structures, assembly of precision optical components, and preparing objects of defined geometry and composition. Bonding materials and methods of preparing the same are also disclosed.

  15. 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.

  16. Nonlinear mode decomposition: a noise-robust, adaptive decomposition method.

    PubMed

    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. PMID:26465549

  17. Unimolecular decomposition of methyltrichlorosilane: RRKM calculations

    SciTech Connect

    Osterheld, T.H.; Allendorf, M.D.; Melius, C.F.

    1993-06-01

    Based on reaction thermochemistry and estimates of Arrhenius A-factors, it is expected that Si-C bond cleavage, C-H bond cleavage, and HCl elimination will be the primary channels for the unimolecular decomposition of methyltrichlorosilane. Using RRKM theory, we calculated rate constants for these three reactions. The calculations support the conclusion that these three reactions are the major decomposition pathways. Rate constants for each reaction were calculated in the high-pressure limit (800--1500 K) and in the falloff regime (1300--1500 K) for bath gases of both helium and hydrogen. These calculations thus provide branching fractions as well as decomposition rates. We also calculated bimolecular rate constants for the overall decomposition in the low-pressure limit. Interesting and surprising kinetic behavior of this system and the individual reactions is discussed. The reactivity of this chlorinated organosilane is compared to that of other organosilanes.

  18. Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis.

    PubMed

    Duarte, Darío J R; Sosa, Gladis L; Peruchena, Nélida M

    2013-05-01

    In this work we investigate the nature of the Cl···N interactions in complexes formed between substituted ammonium [NHn(X3-n) (with n = 0, 1, 2, 3 and X = -CH3, -F] as Lewis bases and F-Cl molecule as Lewis acid. They have been chosen as a study case due to the wide range of variation of their binding energies, BEs. Møller-Plesset [MP2/6-311++G(2d,2p)] calculations show that the BEs for this set of complexes lie in the range from 1.27 kcal/mol (in F-Cl···NF3) to 27.62 kcal/mol [in F-Cl···N(CH3)3]. The intermolecular distribution of the electronic charge density and their L(r) = -¼∇(2)ρ(r) function have been investigated within the framework of the atoms in molecules (AIM) theory. The intermolecular interaction energy decomposition has also been analyzed using the reduced variational space (RVS) method. The topological analysis of the L(r) function reveals that the local topological properties measured at the (3,+1) critical point [in L(r) topology] are good descriptors of the strength of the halogen bonding interactions. The results obtained from energy decomposition analysis indicate that electrostatic interactions play a key role in these halogen bonding interactions. These results allow us to establish that, when the halogen atom is bonded to a group with high electron-withdrawing capacity, the electrostatic interaction between the electron cloud of the Lewis base and the halogen atom unprotected nucleus of the Lewis acid produces the formation and determines the geometry of the halogen bonded complexes. In addition, a good linear relationship has been established between: the natural logarithm of the BEs and the electrostatic interaction energy between electron charge distribution of N atom and nucleus of Cl atom, denoted as V e-n(N,Cl) within the AIM theory. PMID:23076553

  19. 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.

  20. {beta}-Secondary and solvent deuterium kinetic isotope effects and the mechanisms of base- and acid-catalyzed hydrolysis of penicillanic acid

    SciTech Connect

    Deraniyagala, S.A.; Adediran, S.A.; Pratt, R.F.

    1995-03-24

    {beta}-Secondary and solvent deuterium kinetic isotope effects have been determined at 25 {degrees}C for the alkaline and acid-catalyzed hydrolysis of penicillanic acid. In order to determine the former isotope effect, [6,6-{sup 2}H{sub 2}]dideuteriopenicillanic acid has been synthesized. In alkaline solution, the former isotope effect was found to be 0.95 {plus_minus} 0.01. These values support the B{sub AC}2 mechanism of hydrolysis with rate-determining formation of the tetrahedral intermediate that has been proposed for other {beta}-lactams. The measured {beta}-secondary kinetic isotope for the acid-catalyzed reaction was 1.00 {plus_minus} 0.01. The data indicates that a likely pathway of acid-catalyzed hydrolysis would be that of an A{sub AC}1 mechanism with an intermediate acylium ion. If this were so, the calculated {beta}-secondary isotope effect per hydrogen coplanar with the breaking C-N bond and corrected for the inductive effect of deuterium would be 1.06 {plus_minus} 0.01. This suggests an early A{sub AC}1 transition state, which would be reasonable in this case because of destabilization of the N-protonated amide with respect to the acylium ion because of ring strain. The absence of specific participation by solvent in the transition state, as would be expected of an A{sub AC}1 but not an associative mechanism, is supported by the strongly inverse solvent deuterium kinetic isotope effect of 0.25 {plus_minus} 0.00 in 1 M HCl and 0.22 {plus_minus} 0.01 in 33.3 wt % H{sub 2}SO{sub 4}. 1 fig., 3 tabs.

  1. Decomposing Nekrasov decomposition

    NASA Astrophysics Data System (ADS)

    Morozov, A.; Zenkevich, Y.

    2016-02-01

    AGT relations imply that the four-point conformal block admits a decomposition into a sum over pairs of Young diagrams of essentially rational Nekrasov functions — this is immediately seen when conformal block is represented in the form of a matrix model. However, the q-deformation of the same block has a deeper decomposition — into a sum over a quadruple of Young diagrams of a product of four topological vertices. We analyze the interplay between these two decompositions, their properties and their generalization to multi-point conformal blocks. In the latter case we explain how Dotsenko-Fateev all-with-all (star) pair "interaction" is reduced to the quiver model nearest-neighbor (chain) one. We give new identities for q-Selberg averages of pairs of generalized Macdonald polynomials. We also translate the slicing invariance of refined topological strings into the language of conformal blocks and interpret it as abelianization of generalized Macdonald polynomials.

  2. Demodulation for hydraulic pump fault signals based on local mean decomposition and improved adaptive multiscale morphology analysis

    NASA Astrophysics Data System (ADS)

    Jiang, Wanlu; Zheng, Zhi; Zhu, Yong; Li, Yang

    2015-06-01

    Scales of IAMMA are adaptively determined by morphological features of signal, thus fault features of a hydraulic pump fault signal presented in multi-scales can be adaptively demodulated. In some coefficient range, IAMMA outperforms AMMA in demodulation ability based on the same SE, and it is less susceptible to noises than AMMA. The best performance of IAMMA with triangle SE is stronger than that of IAMMA with plat and semi-circle SE when they demodulate the same fault signal of hydraulic pump. Compared with traditional demodulation methods of HT and TKEO, IAMMA is adaptive and has stronger demodulation ability. An evaluation method based on kurtosis, power and standard deviation is proposed, by which some PFs which are rich in fault features can be selected as data source.

  3. Systolic architectures for the computation of the discrete Hartley and the discrete cosine transforms based on prime factor decomposition

    SciTech Connect

    Chakrabarti, C. . Dept. of Electrical Engineering); Ja Ja, J. . Dept. of Electrical Engineering)

    1990-11-01

    This paper proposes two-dimensional systolic array implementations for computing the discrete Hartley (DHT) and the discrete cosine transforms (DCT) when the transform size N is decomposable into mutually prime factors. The existing two-dimensional formulations for DHT and DCT are modified and the corresponding algorithms are mapped into two-dimensional systolic arrays. The resulting architecture is fully pipelined with no control units. The hardware design is based on bit serial left to right MSB to LSB binary arithmetic.

  4. A General Probabilistic Framework (GPF) for process-based models: blind validation, total error decomposition and uncertainty reduction.

    NASA Astrophysics Data System (ADS)

    Baroni, Gabriele; Jolley, Richard P.; Graeff, Thomas; Oswald, Sascha E.

    2014-05-01

    Process-based models are useful tools supporting research, policy analysis, and decision making. Ideally, they would only include input data and parameters having physical meaning and they could be applied in various conditions and scenario analysis. However, applicability of these models can be limited because they are affected by many sources of uncertainty, from scale issues to lack of knowledge. To overcome this limitation, a General Probabilistic Framework (GPF) for the application of process-based models is proposed. A first assessment of the performance of the model is conducted in a blind validation, assuming all the possible sources of uncertainty. The Sobol/Saltelli global sensitivity analysis is used to decompose the total uncertainty of the model output. Based on the results of the sensitivity analysis, improvements of the model application are considered in a goal-oriented approach, in which monitoring and modeling are related in a continuous learning process. This presentation describes the GPF and its application to two hydrological models. Firstly, the GPF is applied at field scale using a 1D physical-based hydrological model (SWAP). Secondly, the framework is applied at small catchment scale in combination with a spatially distributed hydrological model (SHETRAN). The models are evaluated considering different components of the water balance. The framework is conceptually simple, relatively easy to implement and it requires no modifications to existing source codes of simulation models. It can take into account all the various sources of uncertainty i.e. input data, parameters, model structures and observations. It can be extended to a wide variety of modelling applications, also when direct measurements of model output are not available. Further research will focus on the methods to account for correlation between the different sources of uncertainty.

  5. Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities

    PubMed Central

    Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.

    2013-01-01

    Cysteine plays a number of important functional and structural roles in Nature, often in the realm of catalysis. Herein, we present an example of a cysteine-catalyzed Rauhut-Currier reaction for a potentially biomimetic synthesis of Sch-642305 and related analogs. In this key step of the synthesis we discuss interesting new discoveries and the importance of substrate-catalyst recognition, as well as cysteine’s structural features. Also, we investigate the activity of Sch-642305 and four analogs in HIV-infected T-cells. PMID:24179673

  6. Global decomposition experiment shows soil animal impacts on decomposition are climate-dependent

    PubMed Central

    WALL, DIANA H; BRADFORD, MARK A; ST JOHN, MARK G; TROFYMOW, JOHN A; BEHAN-PELLETIER, VALERIE; BIGNELL, DAVID E; DANGERFIELD, J MARK; PARTON, WILLIAM J; RUSEK, JOSEF; VOIGT, WINFRIED; WOLTERS, VOLKMAR; GARDEL, HOLLEY ZADEH; AYUKE, FRED O; BASHFORD, RICHARD; BELJAKOVA, OLGA I; BOHLEN, PATRICK J; BRAUMAN, ALAIN; FLEMMING, STEPHEN; HENSCHEL, JOH R; JOHNSON, DAN L; JONES, T HEFIN; KOVAROVA, MARCELA; KRANABETTER, J MARTY; KUTNY, LES; LIN, KUO-CHUAN; MARYATI, MOHAMED; MASSE, DOMINIQUE; POKARZHEVSKII, ANDREI; RAHMAN, HOMATHEVI; SABARÁ, MILLOR G; SALAMON, JOERG-ALFRED; SWIFT, MICHAEL J; VARELA, AMANDA; VASCONCELOS, HERALDO L; WHITE, DON; ZOU, XIAOMING

    2008-01-01

    Climate and litter quality are primary drivers of terrestrial decomposition and, based on evidence from multisite experiments at regional and global scales, are universally factored into global decomposition models. In contrast, soil animals are considered key regulators of decomposition at local scales but their role at larger scales is unresolved. Soil animals are consequently excluded from global models of organic mineralization processes. Incomplete assessment of the roles of soil animals stems from the difficulties of manipulating invertebrate animals experimentally across large geographic gradients. This is compounded by deficient or inconsistent taxonomy. We report a global decomposition experiment to assess the importance of soil animals in C mineralization, in which a common grass litter substrate was exposed to natural decomposition in either control or reduced animal treatments across 30 sites distributed from 43°S to 68°N on six continents. Animals in the mesofaunal size range were recovered from the litter by Tullgren extraction and identified to common specifications, mostly at the ordinal level. The design of the trials enabled faunal contribution to be evaluated against abiotic parameters between sites. Soil animals increase decomposition rates in temperate and wet tropical climates, but have neutral effects where temperature or moisture constrain biological activity. Our findings highlight that faunal influences on decomposition are dependent on prevailing climatic conditions. We conclude that (1) inclusion of soil animals will improve the predictive capabilities of region- or biome-scale decomposition models, (2) soil animal influences on decomposition are important at the regional scale when attempting to predict global change scenarios, and (3) the statistical relationship between decomposition rates and climate, at the global scale, is robust against changes in soil faunal abundance and diversity.

  7. NTO decomposition studies

    SciTech Connect

    Oxley, J.C.; Smith, J.L.; Yeager, K.E.; Rogers, E.; Dong, X.X.

    1996-07-01

    To examine the thermal decomposition of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) in detail, isotopic labeling studies were undertaken. NTO samples labeled with {sup 15}N in three different locations [N(1) and N(2), N(4), and N(6)] were prepared. Upon thermolysis, the majority of the NTO condensed-phase product was a brown, insoluble residue, but small quantities of 2,4-dihydro-3H-1,2,4-triazol-3-one (TO) and triazole were detected. Gases comprised the remainder of the NTO decomposition products. The analysis of these gases is reported along with mechanistic implications of these observations.

  8. Effects of Endogenous Factors on Regional Land-Use Carbon Emissions Based on the Grossman Decomposition Model: A Case Study of Zhejiang Province, China

    NASA Astrophysics Data System (ADS)

    Wu, Cifang; Li, Guan; Yue, Wenze; Lu, Rucheng; Lu, Zhangwei; You, Heyuan

    2015-02-01

    The impact of land-use change on greenhouse gas emissions has become a core issue in current studies on global change and carbon cycle. However, a comprehensive evaluation of the effects of land-use changes on carbon emissions is very necessary. This paper attempted to apply the Grossman decomposition model to estimate the scale, structural, and management effects of land-use carbon emissions based on final energy consumption by establishing the relationship between the types of land use and carbon emissions in energy consumption. It was shown that land-use carbon emissions increase from 169.5624 million tons in 2000 to 637.0984 million tons in 2010, with an annual average growth rate of 14.15 %. Meanwhile, land-use carbon intensity increased from 17.59 t/ha in 2000 to 64.42 t/ha in 2010, with an average annual growth rate of 13.86 %. The results indicated that rapid industrialization and urbanization in Zhejiang Province promptly increased urban land and industrial land, which consequently affected land-use extensive emissions. The structural and management effects did not mitigate land-use carbon emissions. By contrast, both factors evidently affected the growth of carbon emissions because of the rigid demands of energy-intensive land-use types and the absence of land management. Results called for the policy implications of optimizing land-use structures and strengthening land-use management.

  9. Effects of endogenous factors on regional land-use carbon emissions based on the Grossman decomposition model: a case study of Zhejiang Province, China.

    PubMed

    Wu, Cifang; Li, Guan; Yue, Wenze; Lu, Rucheng; Lu, Zhangwei; You, Heyuan

    2015-02-01

    The impact of land-use change on greenhouse gas emissions has become a core issue in current studies on global change and carbon cycle. However, a comprehensive evaluation of the effects of land-use changes on carbon emissions is very necessary. This paper attempted to apply the Grossman decomposition model to estimate the scale, structural, and management effects of land-use carbon emissions based on final energy consumption by establishing the relationship between the types of land use and carbon emissions in energy consumption. It was shown that land-use carbon emissions increase from 169.5624 million tons in 2000 to 637.0984 million tons in 2010, with an annual average growth rate of 14.15%. Meanwhile, land-use carbon intensity increased from 17.59 t/ha in 2000 to 64.42 t/ha in 2010, with an average annual growth rate of 13.86%. The results indicated that rapid industrialization and urbanization in Zhejiang Province promptly increased urban land and industrial land, which consequently affected land-use extensive emissions. The structural and management effects did not mitigate land-use carbon emissions. By contrast, both factors evidently affected the growth of carbon emissions because of the rigid demands of energy-intensive land-use types and the absence of land management. Results called for the policy implications of optimizing land-use structures and strengthening land-use management. PMID:25421995

  10. Direct Extraction of Tumor Response Based on Ensemble Empirical Mode Decomposition for Image Reconstruction of Early Breast Cancer Detection by UWB.

    PubMed

    Li, Qinwei; Xiao, Xia; Wang, Liang; Song, Hang; Kono, Hayato; Liu, Peifang; Lu, Hong; Kikkawa, Takamaro

    2015-10-01

    A direct extraction method of tumor response based on ensemble empirical mode decomposition (EEMD) is proposed for early breast cancer detection by ultra-wide band (UWB) microwave imaging. With this approach, the image reconstruction for the tumor detection can be realized with only extracted signals from as-detected waveforms. The calibration process executed in the previous research for obtaining reference waveforms which stand for signals detected from the tumor-free model is not required. The correctness of the method is testified by successfully detecting a 4 mm tumor located inside the glandular region in one breast model and by the model located at the interface between the gland and the fat, respectively. The reliability of the method is checked by distinguishing a tumor buried in the glandular tissue whose dielectric constant is 35. The feasibility of the method is confirmed by showing the correct tumor information in both simulation results and experimental results for the realistic 3-D printed breast phantom. PMID:26552095

  11. A multi-point force appropriation method based upon a singular value decomposition approach. [for vibration tests

    NASA Technical Reports Server (NTRS)

    Juang, Jer-Nan; Wright, Jan R.

    1989-01-01

    Force appropriation methods aim to provide an estimate for the force pattern required to excite a 'pure' normal mode in a vibration test where multiple exciters are available. In this paper, a new method based upon a Singular Value Decompositon approach is presented. The appropriated force vector which minimizes the in-plane response components while maximizing the required quadrature components is found, subject to a fixed force norm. The method can accommodate more transducers than exciters and also more exciters than effective degrees of freedom. The method is demonstrated upon a six degree of freedom theoretical model and it is shown that an estimate for the effective degrees of freedom can be obtained.

  12. Concise Synthesis of a Pateamine A Analogue with In Vivo Anticancer Activity Based on an Iron-Catalyzed Pyrone Ring Opening/Cross-Coupling.

    PubMed

    Zhuo, Chun-Xiang; Fürstner, Alois

    2016-05-10

    The marine macrolide pateamine A and its non-natural sibling DMDA-Pat A are potent translation inhibitors targeting the eukaryotic initiation factor 4A (eIF4A), an enzyme with RNA helicase activity. Although essential for every living cell, this protein target seems "drugable" since DMDA-Pat A has previously been shown to exhibit remarkable in vivo activity against two different melanoma mouse models. The novel entry into this promising compound presented herein is shorter and significantly more productive than the literature route. Key to success was the masking of the signature Z,E-configured dienoate subunit of DMDA-Pat A in the form of a 2-pyrone ring, which was best crafted by a gold-catalyzed cyclization. While the robustness of the heterocycle facilitated the entire assembly stage, the highly isomerization-prone seco-Z,E-dienoic acid could be unlocked in due time for macrolactonization by an unconventional iron-catalyzed ring opening/cross coupling. Moreover, the crystal structure analysis of an advanced intermediate gave first insights into the conformation of the macrodilactone framework of the pateamine family, which is thought to be critical for eliciting the desired biological response. PMID:27061139

  13. Determination of cysteine and glutathione based on the inhibition of the dinuclear Cu(II)-catalyzed luminol-H2O2 chemiluminescence reaction

    NASA Astrophysics Data System (ADS)

    Chaichi, Mohammad Javad; Ehsani, Mahjoobeh; Khajvand, Tahereh; Golchoubian, Hamid; Rezaee, Ehsan

    2014-03-01

    The catalyzed luminol chemiluminescent reaction has received a great amount of attention because of its high sensitivity and low background signal which make the reaction an attractive analytical chemistry tool. The present study, introduces the beneficial catalytic effects of dinuclear Cu(II) complex [Cu2L2(TAE)]X2, where TAE = tetraacetylethane; L = N,N'-dibenzylethylenediamine and X = ClO4 on the luminol chemiluminescent reaction as a novel probe for the determination of glutathione (GSH) and L-cysteine (CySH) in human serum and urine. The [Cu2L2(TAE)]X2 has exhibited highly efficient catalytic activity of luminol CL as an artificial peroxidase model at pH as low as 7.5 in water in the presence of H2O2ṡGSH and CySH can induce a sharp decrease in CL intensity from the [Cu2L2(TAE)]X2-catalyzed luminol system. Under the selected experimental conditions, a linear relationship was obtained between the CL intensity and the concentrations of GSH and CySH in the range of 1.0 × 10-7-1.0 × 10-4 M, with detection limits (S/N = 3) of 2.7 × 10-8 and 6.8 × 10-8 M and RSD < 4.2% (n = 7) for GSH and CySH, respectively.

  14. Oxidation of phenyl propyne catalyzed by copper(II) complexes of a benzimidazolyl schiff base ligand: effect of acid/base, oxidant, surfactant and morphology.

    PubMed

    Kumar, Ravinder; Mathur, Pavan

    2015-02-01

    Copper(II) complexes with a new N-Substituted benzimidazolyl schiff base ligand are used as catalyst for the oxidation of 1-phenyl propyne. The oxidation is carried out under mild conditions using stoichiometric amounts of oxidant and catalytic amounts of Cu(II) complex as catalyst. Effect of acid/base, oxidant, morphology and surfactant has been studied. Two major products of phenyl propyne oxidation are the α-diketonic product and a terminal aldehyde. Diketone is the major product under acidic conditions while aldehyde formation is highest under basic conditions. The maximum conversion is found with the NO3(-) bound complex. GC-MS is used to find the percentage yields of products. SEM and PXRD of the reused complexes as catalyst suggest that morphology affects the catalytic efficiency. PMID:25448979

  15. Oxidation of phenyl propyne catalyzed by copper(II) complexes of a benzimidazolyl schiff base ligand: Effect of acid/base, oxidant, surfactant and morphology

    NASA Astrophysics Data System (ADS)

    Kumar, Ravinder; Mathur, Pavan

    2015-02-01

    Copper(II) complexes with a new N-Substituted benzimidazolyl schiff base ligand are used as catalyst for the oxidation of 1-phenyl propyne. The oxidation is carried out under mild conditions using stoichiometric amounts of oxidant and catalytic amounts of Cu(II) complex as catalyst. Effect of acid/base, oxidant, morphology and surfactant has been studied. Two major products of phenyl propyne oxidation are the α-diketonic product and a terminal aldehyde. Diketone is the major product under acidic conditions while aldehyde formation is highest under basic conditions. The maximum conversion is found with the NO3- bound complex. GC-MS is used to find the percentage yields of products. SEM and PXRD of the reused complexes as catalyst suggest that morphology affects the catalytic efficiency.

  16. Hierarchical Bayesian random intercept model-based cross-level interaction decomposition for truck driver injury severity investigations.

    PubMed

    Chen, Cong; Zhang, Guohui; Tian, Zong; Bogus, Susan M; Yang, Yin

    2015-12-01

    Traffic crashes occurring on rural roadways induce more severe injuries and fatalities than those in urban areas, especially when there are trucks involved. Truck drivers are found to suffer higher potential of crash injuries compared with other occupational labors. Besides, unobserved heterogeneity in crash data analysis is a critical issue that needs to be carefully addressed. In this study, a hierarchical Bayesian random intercept model decomposing cross-level interaction effects as unobserved heterogeneity is developed to examine the posterior probabilities of truck driver injuries in rural truck-involved crashes. The interaction effects contributing to truck driver injury outcomes are investigated based on two-year rural truck-involved crashes in New Mexico from 2010 to 2011. The analysis results indicate that the cross-level interaction effects play an important role in predicting truck driver injury severities, and the proposed model produces comparable performance with the traditional random intercept model and the mixed logit model even after penalization by high model complexity. It is revealed that factors including road grade, number of vehicles involved in a crash, maximum vehicle damage in a crash, vehicle actions, driver age, seatbelt use, and driver under alcohol or drug influence, as well as a portion of their cross-level interaction effects with other variables are significantly associated with truck driver incapacitating injuries and fatalities. These findings are helpful to understand the respective or joint impacts of these attributes on truck driver injury patterns in rural truck-involved crashes. PMID:26454045

  17. Modeling the shear rate and pressure drop in a hydrodynamic cavitation reactor with experimental validation based on KI decomposition studies.

    PubMed

    Badve, Mandar P; Alpar, Tibor; Pandit, Aniruddha B; Gogate, Parag R; Csoka, Levente

    2015-01-01

    A mathematical model describing the shear rate and pressure variation in a complex flow field created in a hydrodynamic cavitation reactor (stator and rotor assembly) has been depicted in the present study. The design of the reactor is such that the rotor is provided with surface indentations and cavitational events are expected to occur on the surface of the rotor as well as within the indentations. The flow characteristics of the fluid have been investigated on the basis of high accuracy compact difference schemes and Navier-Stokes method. The evolution of streamlining structures during rotation, pressure field and shear rate of a Newtonian fluid flow have been numerically established. The simulation results suggest that the characteristics of shear rate and pressure area are quite different based on the magnitude of the rotation velocity of the rotor. It was observed that area of the high shear zone at the indentation leading edge shrinks with an increase in the rotational speed of the rotor, although the magnitude of the shear rate increases linearly. It is therefore concluded that higher rotational speeds of the rotor, tends to stabilize the flow, which in turn results into less cavitational activity compared to that observed around 2200-2500RPM. Experiments were carried out with initial concentration of KI as 2000ppm. Maximum of 50ppm of iodine liberation was observed at 2200RPM. Experimental as well as simulation results indicate that the maximum cavitational activity can be seen when rotation speed is around 2200-2500RPM. PMID:24924259

  18. 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.

  19. Assessment of Lipiodol Deposition and Residual Cancer for Hepatocellular Carcinoma After Transcatheter Arterial Chemoembolization via Iodine-Based Material Decomposition Images with Spectral Computed Tomography Imaging: A Preliminary Study

    PubMed Central

    Xu, Yanhong; Xiao, An; Yang, Jia; Zhang, Zaixian; Zhang, Guixiang

    2015-01-01

    Background: It is critical to follow up hepatocellular carcinoma (HCC) after transcatheter arterial chemoembolization (TACE) in clinical practice. Computed tomography (CT) is used to assess lipiodol deposition, whereas it is difficult to assess hypovascular residual cancer masked by lipiodol. In contrast, magnetic resonance imaging (MRI) is superior to CT in showing residual cancer, but cannot display lipiodol deposition. Objectives: The aim of this study was to investigate the value of spectral CT imaging in both lipiodol deposition and residual cancer for HCC patients after TACE. Patients and Methods: Ten HCC patients after treated with TACE underwent Discovery CT750 HD and MRI750 3T examination. Receiver operating characteristic (ROC) curves of iodine-based material decomposition images, monochromatic images and conventional CT images were generated. Results: Consequently, 30 residual lesions were detected in MRI of 10 patients. They were found in iodine-based images and monochromatic images versus 29 in conventional CT images. The area under ROC curves for the lesion-to-normal parenchyma ratio (LNR) on arterial phase (AP) in iodine-based material decomposition images, monochromatic images and conventional CT images were 0.933, 0.833 and 0.817, respectively. Conclusion: The study data highlighted good value of iodine-based material decomposition images of spectral CT in assessment of both lipiodol deposition and residual cancer for follow-up of HCC patients previously treated with TACE. PMID:26715981

  20. Excess Sodium Tetraphenylborate and Intermediates Decomposition Studies

    SciTech Connect

    Barnes, M.J.; Peterson , R.A.

    1998-04-01

    The stability of excess amounts of sodium tetraphenylborate (NaTPB) in the In-Tank Precipitation (ITP) facility depends on a number of variables. Concentration of palladium, initial benzene, and sodium ion as well as temperature provide the best opportunities for controlling the decomposition rate. This study examined the influence of these four variables on the reactivity of palladium-catalyzed sodium tetraphenylborate decomposition. Also, single effects tests investigated the reactivity of simulants with continuous stirring and nitrogen ventilation, with very high benzene concentrations, under washed sodium concentrations, with very high palladium concentrations, and with minimal quantities of excess NaTPB. These tests showed the following.The testing demonstrates that current facility configuration does not provide assured safety of operations relative to the hazards of benzene (in particular to maintain the tank headspace below 60 percent of the lower flammability limit (lfl) for benzene generation rates of greater than 7 mg/(L.h)) from possible accelerated reaction of excess NaTPB. Current maximal operating temperatures of 40 degrees C and the lack of protection against palladium entering Tank 48H provide insufficient protection against the onset of the reaction. Similarly, control of the amount of excess NaTPB, purification of the organic, or limiting the benzene content of the slurry (via stirring) and ionic strength of the waste mixture prove inadequate to assure safe operation.